# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P-1_a
_database_code_depnum_ccdc_archive 'CCDC 2488257'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs university Freiburg
Germany
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C86 H102 Al2 F72 Ga2 O9 P4'
_chemical_formula_moiety         '2(C16 Al F36 O4), C54 H102 Ga2 O P4'
_chemical_formula_weight         2964.95
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.168(4)
_cell_length_b                   17.984(5)
_cell_length_c                   22.621(8)
_cell_angle_alpha                69.090(8)
_cell_angle_beta                 67.933(9)
_cell_angle_gamma                63.812(8)
_cell_volume                     5653(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9375
_cell_measurement_theta_min      2.556
_cell_measurement_theta_max      27.018
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated oDFB solution of the compounds with n-pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_F_000             2972
_exptl_crystal_size_max          0.4413
_exptl_crystal_size_mid          0.248
_exptl_crystal_size_min          0.202
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6821
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            217054
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_theta_min         1.296
_diffrn_reflns_theta_max         27.187
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             25055
_reflns_number_gt                18222
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS 8.5.0.27 Release/2023-03-20 and APEX5 2023.9-4'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1261P)²+24.6231P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         25055
_refine_ls_number_parameters     2726
_refine_ls_number_restraints     48279
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0676
_refine_ls_wR_factor_ref         0.2133
_refine_ls_wR_factor_gt          0.1788
_refine_ls_goodness_of_fit_ref   0.874
_refine_ls_restrained_S_all      0.974
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.268
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.69493(3) 0.83295(3) 0.25954(2) 0.02705(11) Uani 1 1 d . . . . .
Ga2 Ga 0.75166(3) 0.68095(3) 0.26563(2) 0.03260(12) Uani 1 1 d . . . . .
P1 P 0.56572(7) 0.88653(6) 0.34553(5) 0.0283(2) Uani 1 1 d D . . . .
P2 P 0.60694(6) 0.93081(6) 0.18280(4) 0.0261(2) Uani 1 1 d D . . . .
P3 P 0.83986(8) 0.57802(7) 0.34502(5) 0.0382(3) Uani 1 1 d D . . . .
P4 P 0.88780(8) 0.62231(7) 0.18099(5) 0.0386(3) Uani 1 1 d D . . . .
Al2 Al 1.06692(7) 0.06494(7) 0.25447(5) 0.0236(2) Uani 1 1 d D . . . .
Al1 Al 0.37716(10) 0.41811(9) 0.21595(6) 0.0378(3) Uani 1 1 d D . . . .
O1 O 0.6650(2) 0.6424(2) 0.27556(16) 0.0444(7) Uani 1 1 d . U . . .
C1 C 0.6711(4) 0.5579(3) 0.2832(2) 0.0528(12) Uani 1 1 d . U . . .
H1A H 0.725676 0.516403 0.297615 0.063 Uiso 1 1 calc R U . . .
H1B H 0.675963 0.550037 0.240624 0.063 Uiso 1 1 calc R U . . .
C2 C 0.5892(5) 0.5418(4) 0.3331(3) 0.0701(17) Uani 1 1 d . U . . .
H2A H 0.535066 0.584641 0.319757 0.105 Uiso 1 1 calc R U . . .
H2B H 0.586945 0.545452 0.375920 0.105 Uiso 1 1 calc R U . . .
H2C H 0.592289 0.484941 0.335967 0.105 Uiso 1 1 calc R U . . .
C3 C 0.4779(3) 0.9632(3) 0.30382(19) 0.0313(8) Uani 1 1 d . . . . .
H3A H 0.439818 0.933838 0.305552 0.038 Uiso 1 1 calc R U . . .
H3B H 0.439312 1.008744 0.328114 0.038 Uiso 1 1 calc R U . . .
C4 C 0.5137(3) 1.0047(2) 0.23150(18) 0.0286(8) Uani 1 1 d . . . . .
H4A H 0.533897 1.049024 0.230476 0.034 Uiso 1 1 calc R U . . .
H4B H 0.463429 1.033533 0.210355 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9349(4) 0.5080(3) 0.2948(2) 0.0472(12) Uani 1 1 d . . . . .
H5A H 0.982938 0.474184 0.317998 0.057 Uiso 1 1 calc R U . . .
H5B H 0.915170 0.467887 0.288530 0.057 Uiso 1 1 calc R U . . .
C6 C 0.9728(3) 0.5585(3) 0.2276(2) 0.0470(12) Uani 1 1 d . . . . .
H6A H 1.024305 0.518494 0.202270 0.056 Uiso 1 1 calc R U . . .
H6B H 0.995220 0.596652 0.233823 0.056 Uiso 1 1 calc R U . . .
O1_1 O 1.1613(4) 0.0867(4) 0.2038(3) 0.0330(11) Uani 0.554(3) 1 d D U P A 1
C1_1 C 1.2062(5) 0.1104(5) 0.1412(4) 0.0330(13) Uani 0.554(3) 1 d D U P A 1
C2_1 C 1.1513(5) 0.1991(5) 0.1061(4) 0.0393(15) Uani 0.554(3) 1 d D U P A 1
F1_1 F 1.0664(3) 0.2046(3) 0.1199(3) 0.0466(12) Uani 0.554(3) 1 d D U P A 1
F2_1 F 1.1846(4) 0.2163(4) 0.0409(2) 0.0570(14) Uani 0.554(3) 1 d D U P A 1
F3_1 F 1.1493(9) 0.2608(8) 0.1274(5) 0.050(2) Uani 0.554(3) 1 d D U P A 1
C3_1 C 1.2956(5) 0.1110(5) 0.1424(3) 0.0417(14) Uani 0.554(3) 1 d D U P A 1
F4_1 F 1.3551(3) 0.0314(3) 0.1544(3) 0.0549(13) Uani 0.554(3) 1 d D U P A 1
F5_1 F 1.2826(5) 0.1459(4) 0.1893(3) 0.0487(14) Uani 0.554(3) 1 d D U P A 1
F6_1 F 1.3343(4) 0.1535(4) 0.0861(3) 0.0607(15) Uani 0.554(3) 1 d D U P A 1
C4_1 C 1.2311(5) 0.0443(5) 0.1015(3) 0.0396(14) Uani 0.554(3) 1 d D U P A 1
F7_1 F 1.2518(5) -0.0346(4) 0.1376(4) 0.0467(15) Uani 0.554(3) 1 d D U P A 1
F8_1 F 1.3004(4) 0.0481(4) 0.0486(3) 0.0569(15) Uani 0.554(3) 1 d D U P A 1
F9_1 F 1.1625(3) 0.0587(3) 0.0797(2) 0.0472(12) Uani 0.554(3) 1 d D U P A 1
O1_2 O 1.0008(6) 0.0321(6) 0.2306(5) 0.0344(19) Uani 0.472(4) 1 d D U P A 2
C1_2 C 0.9956(5) -0.0095(5) 0.1939(4) 0.0334(14) Uani 0.472(4) 1 d D U P A 2
C2_2 C 1.0150(6) 0.0373(5) 0.1201(4) 0.0454(17) Uani 0.472(4) 1 d D U P A 2
F1_2 F 0.9734(5) 0.1211(3) 0.1147(3) 0.0570(17) Uani 0.472(4) 1 d D U P A 2
F2_2 F 0.9858(6) 0.0150(5) 0.0851(4) 0.0563(19) Uani 0.472(4) 1 d D U P A 2
F3_2 F 1.1031(5) 0.0211(5) 0.0931(3) 0.0599(16) Uani 0.472(4) 1 d D U P A 2
C3_2 C 1.0650(6) -0.1019(5) 0.2023(4) 0.0399(15) Uani 0.472(4) 1 d D U P A 2
F4_2 F 1.0389(6) -0.1495(5) 0.2595(4) 0.0466(18) Uani 0.472(4) 1 d D U P A 2
F5_2 F 1.1439(4) -0.1012(4) 0.1984(3) 0.0464(13) Uani 0.472(4) 1 d D U P A 2
F6_2 F 1.0812(5) -0.1376(5) 0.1543(3) 0.0562(16) Uani 0.472(4) 1 d D U P A 2
C4_2 C 0.9007(6) -0.0131(6) 0.2157(4) 0.0462(16) Uani 0.472(4) 1 d D U P A 2
F7_2 F 0.8723(5) -0.0338(5) 0.2807(4) 0.0555(18) Uani 0.472(4) 1 d D U P A 2
F8_2 F 0.8983(5) -0.0714(4) 0.1930(4) 0.0583(17) Uani 0.472(4) 1 d D U P A 2
F9_2 F 0.8401(9) 0.0629(8) 0.1973(9) 0.063(3) Uani 0.472(4) 1 d D U P A 2
O1_3 O 0.9823(5) 0.1574(4) 0.2772(3) 0.0357(13) Uani 0.507(2) 1 d D U P A 1
C1_3 C 0.9437(5) 0.2123(5) 0.3168(4) 0.0434(9) Uani 0.507(2) 1 d D U P A 1
C2_3 C 1.0108(6) 0.2580(5) 0.3049(5) 0.0522(11) Uani 0.507(2) 1 d D U P A 1
F1_3 F 1.0905(4) 0.2038(3) 0.3018(3) 0.0502(11) Uani 0.507(2) 1 d D U P A 1
F2_3 F 0.9840(5) 0.2966(4) 0.3541(3) 0.0643(13) Uani 0.507(2) 1 d D U P A 1
F3_3 F 1.0077(5) 0.3167(4) 0.2491(3) 0.0560(15) Uani 0.507(2) 1 d D U P A 1
C3_3 C 0.8571(6) 0.2823(5) 0.3009(4) 0.0589(12) Uani 0.507(2) 1 d D U P A 1
F4_3 F 0.7905(5) 0.2483(5) 0.3293(4) 0.0669(15) Uani 0.507(2) 1 d D U P A 1
F5_3 F 0.8663(5) 0.3063(5) 0.2358(3) 0.0646(15) Uani 0.507(2) 1 d D U P A 1
F6_3 F 0.8319(5) 0.3529(4) 0.3207(4) 0.0728(15) Uani 0.507(2) 1 d D U P A 1
C4_3 C 0.9239(6) 0.1675(5) 0.3904(4) 0.0543(12) Uani 0.507(2) 1 d D U P A 1
F7_3 F 0.8886(5) 0.1098(4) 0.4009(3) 0.0576(12) Uani 0.507(2) 1 d D U P A 1
F8_3 F 0.8616(5) 0.2215(4) 0.4278(3) 0.0726(16) Uani 0.507(2) 1 d D U P A 1
F9_3 F 0.9993(4) 0.1340(4) 0.4097(3) 0.0647(14) Uani 0.507(2) 1 d D U P A 1
O1_4 O 1.0948(6) 0.0008(5) 0.3300(4) 0.0280(14) Uani 0.417(2) 1 d D U P A 1
C1_4 C 1.1549(7) -0.0647(6) 0.3595(5) 0.0342(10) Uani 0.417(2) 1 d D U P A 1
C2_4 C 1.2016(7) -0.0285(6) 0.3841(5) 0.0405(12) Uani 0.417(2) 1 d D U P A 1
F1_4 F 1.1487(5) -0.0015(5) 0.4386(3) 0.0529(15) Uani 0.417(2) 1 d D U P A 1
F2_4 F 1.2809(6) -0.0844(7) 0.3960(5) 0.0526(18) Uani 0.417(2) 1 d D U P A 1
F3_4 F 1.2206(5) 0.0377(5) 0.3400(4) 0.0524(16) Uani 0.417(2) 1 d D U P A 1
C3_4 C 1.1049(6) -0.1181(6) 0.4194(4) 0.0443(12) Uani 0.417(2) 1 d D U P A 1
F4_4 F 1.0883(5) -0.1679(4) 0.3967(4) 0.0560(15) Uani 0.417(2) 1 d D U P A 1
F5_4 F 1.0317(5) -0.0709(5) 0.4516(4) 0.0573(17) Uani 0.417(2) 1 d D U P A 1
F6_4 F 1.1566(6) -0.1718(6) 0.4599(5) 0.0530(19) Uani 0.417(2) 1 d D U P A 1
C4_4 C 1.2133(6) -0.1562(5) 0.3472(4) 0.0360(11) Uani 0.417(2) 1 d D U P A 1
F7_4 F 1.1756(5) -0.1996(6) 0.3357(4) 0.0415(15) Uani 0.417(2) 1 d D U P A 1
F8_4 F 1.2430(5) -0.2052(4) 0.4009(3) 0.0419(13) Uani 0.417(2) 1 d D U P A 1
F9_4 F 1.2833(4) -0.1509(4) 0.2977(3) 0.0434(13) Uani 0.417(2) 1 d D U P A 1
O1_5 O 0.3799(2) 0.3861(2) 0.15266(16) 0.0486(8) Uani 1 1 d D U . B 1
C1_5 C 0.3412(3) 0.4006(3) 0.1059(2) 0.0465(10) Uani 1 1 d D U . B 1
C2_5 C 0.2451(3) 0.3973(3) 0.1389(3) 0.0558(12) Uani 1 1 d D U . B 1
F1_5 F 0.2479(2) 0.3182(2) 0.17122(18) 0.0634(8) Uani 1 1 d D U . B 1
F2_5 F 0.1947(2) 0.4264(2) 0.0979(2) 0.0762(10) Uani 1 1 d D U . B 1
F3_5 F 0.2009(2) 0.4448(2) 0.1839(2) 0.0723(10) Uani 1 1 d D U . B 1
C3_5 C 0.3348(4) 0.4877(4) 0.0580(3) 0.0650(14) Uani 1 1 d D U . B 1
F4_5 F 0.4092(3) 0.5025(3) 0.04302(19) 0.0801(11) Uani 1 1 d D U . B 1
F5_5 F 0.2665(3) 0.5512(2) 0.0831(2) 0.0756(10) Uani 1 1 d D U . B 1
F6_5 F 0.3213(3) 0.4906(3) 0.00281(19) 0.0918(13) Uani 1 1 d D U . B 1
C4_5 C 0.3987(4) 0.3289(4) 0.0683(3) 0.0687(16) Uani 1 1 d D U . B 1
F7_5 F 0.4741(3) 0.3410(3) 0.02824(19) 0.0940(14) Uani 1 1 d D U . B 1
F8_5 F 0.3537(3) 0.3236(3) 0.0335(2) 0.0916(14) Uani 1 1 d D U . B 1
F9_5 F 0.4213(2) 0.2533(2) 0.1094(2) 0.0747(10) Uani 1 1 d D U . B 1
O1_6 O 0.3440(4) 0.5254(3) 0.1934(3) 0.0389(13) Uani 0.751(4) 1 d D U P B 1
C1_6 C 0.3130(4) 0.5982(4) 0.2126(3) 0.0405(12) Uani 0.751(4) 1 d D U P B 1
C2_6 C 0.2159(4) 0.6151(4) 0.2567(3) 0.0495(14) Uani 0.751(4) 1 d D U P B 1
F1_6 F 0.1682(3) 0.5954(3) 0.2339(3) 0.0581(12) Uani 0.751(4) 1 d D U P B 1
F2_6 F 0.1732(3) 0.6966(2) 0.2606(2) 0.0629(12) Uani 0.751(4) 1 d D U P B 1
F3_6 F 0.2150(5) 0.5664(5) 0.3181(3) 0.0547(16) Uani 0.751(4) 1 d D U P B 1
C3_6 C 0.3744(4) 0.5939(4) 0.2510(3) 0.0465(13) Uani 0.751(4) 1 d D U P B 1
F4_6 F 0.4513(3) 0.6007(3) 0.2109(2) 0.0552(10) Uani 0.751(4) 1 d D U P B 1
F5_6 F 0.3936(3) 0.5196(2) 0.29452(19) 0.0518(10) Uani 0.751(4) 1 d D U P B 1
F6_6 F 0.3357(3) 0.6550(2) 0.28397(19) 0.0564(11) Uani 0.751(4) 1 d D U P B 1
C4_6 C 0.3149(5) 0.6709(4) 0.1491(3) 0.0450(15) Uani 0.751(4) 1 d D U P B 1
F7_6 F 0.3906(3) 0.6474(3) 0.1039(2) 0.0526(11) Uani 0.751(4) 1 d D U P B 1
F8_6 F 0.3092(3) 0.7415(3) 0.1619(2) 0.0515(11) Uani 0.751(4) 1 d D U P B 1
F9_6 F 0.2457(3) 0.6918(2) 0.12555(19) 0.0525(10) Uani 0.751(4) 1 d D U P B 1
O1_7 O 0.3107(15) 0.3842(10) 0.2898(6) 0.041(2) Uani 0.467(7) 1 d D U P B 1
C1_7 C 0.3000(7) 0.3199(7) 0.3419(6) 0.0457(17) Uani 0.467(7) 1 d D U P B 1
C2_7 C 0.3589(7) 0.3041(6) 0.3867(5) 0.058(2) Uani 0.467(7) 1 d D U P B 1
F1_7 F 0.4435(6) 0.2546(6) 0.3640(5) 0.073(3) Uani 0.467(7) 1 d D U P B 1
F2_7 F 0.3291(10) 0.2674(8) 0.4490(5) 0.071(3) Uani 0.467(7) 1 d D U P B 1
F3_7 F 0.3638(12) 0.3752(9) 0.3873(8) 0.068(3) Uani 0.467(7) 1 d D U P B 1
C3_7 C 0.2006(7) 0.3482(6) 0.3814(5) 0.062(2) Uani 0.467(7) 1 d D U P B 1
F4_7 F 0.1471(12) 0.3772(11) 0.3409(10) 0.099(5) Uani 0.467(7) 1 d D U P B 1
F5_7 F 0.1830(8) 0.4081(8) 0.4105(8) 0.079(3) Uani 0.467(7) 1 d D U P B 1
F6_7 F 0.1788(15) 0.2833(10) 0.4269(6) 0.075(4) Uani 0.467(7) 1 d D U P B 1
C4_7 C 0.3242(7) 0.2354(6) 0.3239(5) 0.0484(19) Uani 0.467(7) 1 d D U P B 1
F7_7 F 0.2608(6) 0.2365(5) 0.3029(4) 0.066(2) Uani 0.467(7) 1 d D U P B 1
F8_7 F 0.3341(14) 0.1700(10) 0.3755(8) 0.064(3) Uani 0.467(7) 1 d D U P B 1
F9_7 F 0.4010(11) 0.2173(16) 0.2770(7) 0.065(4) Uani 0.467(7) 1 d D U P B 1
O1_8 O 0.4902(4) 0.3663(4) 0.2239(3) 0.0396(14) Uani 0.666(4) 1 d D U P B 1
C1_8 C 0.5793(4) 0.3408(4) 0.1973(3) 0.0381(11) Uani 0.666(4) 1 d D U P B 1
C2_8 C 0.6031(4) 0.3966(4) 0.1278(3) 0.0473(13) Uani 0.666(4) 1 d D U P B 1
F1_8 F 0.5849(3) 0.3759(3) 0.0849(2) 0.0573(12) Uani 0.666(4) 1 d D U P B 1
F2_8 F 0.6898(3) 0.3881(3) 0.1068(2) 0.0545(11) Uani 0.666(4) 1 d D U P B 1
F3_8 F 0.5580(4) 0.4778(3) 0.1266(3) 0.0706(19) Uani 0.666(4) 1 d D U P B 1
C3_8 C 0.6287(5) 0.3438(5) 0.2402(4) 0.0580(15) Uani 0.666(4) 1 d D U P B 1
F4_8 F 0.5979(5) 0.3135(5) 0.3030(3) 0.0785(19) Uani 0.666(4) 1 d D U P B 1
F5_8 F 0.6197(4) 0.4242(4) 0.2334(3) 0.0781(16) Uani 0.666(4) 1 d D U P B 1
F6_8 F 0.7174(3) 0.2989(4) 0.2243(3) 0.0810(17) Uani 0.666(4) 1 d D U P B 1
C4_8 C 0.6144(5) 0.2475(4) 0.1901(4) 0.0473(14) Uani 0.666(4) 1 d D U P B 1
F7_8 F 0.6178(4) 0.1934(3) 0.2475(3) 0.0706(15) Uani 0.666(4) 1 d D U P B 1
F8_8 F 0.6956(3) 0.2241(3) 0.1497(3) 0.0588(12) Uani 0.666(4) 1 d D U P B 1
F9_8 F 0.5574(3) 0.2374(3) 0.1696(3) 0.0563(12) Uani 0.666(4) 1 d D U P B 1
O1_11 O 1.1337(4) 0.0992(4) 0.1774(3) 0.0325(14) Uani 0.446(3) 1 d D U P A 2
C1_11 C 1.2065(6) 0.1221(6) 0.1441(5) 0.0306(15) Uani 0.446(3) 1 d D U P A 2
C2_11 C 1.2559(6) 0.1157(6) 0.1918(4) 0.0401(16) Uani 0.446(3) 1 d D U P A 2
F1_11 F 1.3143(5) 0.1563(6) 0.1638(5) 0.058(2) Uani 0.446(3) 1 d D U P A 2
F2_11 F 1.1974(4) 0.1477(5) 0.2432(3) 0.0527(16) Uani 0.446(3) 1 d D U P A 2
F3_11 F 1.3023(4) 0.0337(4) 0.2150(3) 0.0500(15) Uani 0.446(3) 1 d D U P A 2
C3_11 C 1.2736(6) 0.0622(5) 0.0972(4) 0.0445(17) Uani 0.446(3) 1 d D U P A 2
F4_11 F 1.3556(4) 0.0664(5) 0.0763(4) 0.0642(19) Uani 0.446(3) 1 d D U P A 2
F5_11 F 1.2807(6) -0.0184(5) 0.1266(5) 0.050(2) Uani 0.446(3) 1 d D U P A 2
F6_11 F 1.2456(5) 0.0814(4) 0.0439(3) 0.0517(16) Uani 0.446(3) 1 d D U P A 2
C4_11 C 1.1753(6) 0.2151(6) 0.1032(4) 0.0359(17) Uani 0.446(3) 1 d D U P A 2
F7_11 F 1.1161(4) 0.2259(4) 0.0728(3) 0.0441(14) Uani 0.446(3) 1 d D U P A 2
F8_11 F 1.2435(4) 0.2359(4) 0.0578(3) 0.0540(18) Uani 0.446(3) 1 d D U P A 2
F9_11 F 1.1332(10) 0.2688(9) 0.1430(6) 0.042(2) Uani 0.446(3) 1 d D U P A 2
O1_12 O 1.0339(5) 0.0247(6) 0.2173(5) 0.0383(19) Uani 0.528(4) 1 d D U P A 1
C1_12 C 0.9701(5) 0.0003(5) 0.2166(4) 0.0386(14) Uani 0.528(4) 1 d D U P A 1
C2_12 C 1.0062(6) -0.0414(5) 0.1586(4) 0.0530(16) Uani 0.528(4) 1 d D U P A 1
F1_12 F 1.0075(7) 0.0154(6) 0.1008(4) 0.072(2) Uani 0.528(4) 1 d D U P A 1
F2_12 F 0.9597(6) -0.0893(5) 0.1659(4) 0.080(2) Uani 0.528(4) 1 d D U P A 1
F3_12 F 1.0916(4) -0.0942(4) 0.1555(4) 0.0617(15) Uani 0.528(4) 1 d D U P A 1
C3_12 C 0.9465(5) -0.0644(5) 0.2818(4) 0.0479(15) Uani 0.528(4) 1 d D U P A 1
F4_12 F 0.9329(4) -0.0361(4) 0.3329(3) 0.0591(15) Uani 0.528(4) 1 d D U P A 1
F5_12 F 1.0136(6) -0.1391(5) 0.2833(4) 0.0569(19) Uani 0.528(4) 1 d D U P A 1
F6_12 F 0.8705(5) -0.0741(5) 0.2876(4) 0.0629(19) Uani 0.528(4) 1 d D U P A 1
C4_12 C 0.8825(6) 0.0792(5) 0.2103(5) 0.0524(16) Uani 0.528(4) 1 d D U P A 1
F7_12 F 0.8368(4) 0.1031(4) 0.2648(3) 0.0597(15) Uani 0.528(4) 1 d D U P A 1
F8_12 F 0.8289(11) 0.0616(9) 0.1913(10) 0.079(3) Uani 0.528(4) 1 d D U P A 1
F9_12 F 0.9036(5) 0.1431(4) 0.1638(4) 0.0712(18) Uani 0.528(4) 1 d D U P A 1
O1_13 O 1.1335(5) -0.0163(4) 0.2978(3) 0.0304(12) Uani 0.446(2) 1 d D U P A 2
C1_13 C 1.1449(6) -0.0674(6) 0.3572(4) 0.0319(9) Uani 0.446(2) 1 d D U P A 2
C2_13 C 1.2304(6) -0.1236(5) 0.3134(4) 0.0425(12) Uani 0.446(2) 1 d D U P A 2
F1_13 F 1.1974(5) -0.1304(4) 0.2723(3) 0.0550(14) Uani 0.446(2) 1 d D U P A 2
F2_13 F 1.2802(5) -0.1967(4) 0.3408(4) 0.0507(16) Uani 0.446(2) 1 d D U P A 2
F3_13 F 1.2888(4) -0.0831(5) 0.2717(3) 0.0598(15) Uani 0.446(2) 1 d D U P A 2
C3_13 C 1.1768(6) -0.0309(6) 0.3920(4) 0.0391(11) Uani 0.446(2) 1 d D U P A 2
F4_13 F 1.1339(5) 0.0525(4) 0.3858(3) 0.0484(13) Uani 0.446(2) 1 d D U P A 2
F5_13 F 1.2645(4) -0.0411(4) 0.3633(3) 0.0484(13) Uani 0.446(2) 1 d D U P A 2
F6_13 F 1.1706(5) -0.0676(4) 0.4548(3) 0.0496(13) Uani 0.446(2) 1 d D U P A 2
C4_13 C 1.0540(6) -0.0784(5) 0.4027(4) 0.0395(11) Uani 0.446(2) 1 d D U P A 2
F7_13 F 1.0021(5) -0.0101(4) 0.4305(3) 0.0547(15) Uani 0.446(2) 1 d D U P A 2
F8_13 F 1.0644(5) -0.1475(5) 0.4524(3) 0.0505(15) Uani 0.446(2) 1 d D U P A 2
F9_13 F 1.0060(4) -0.0809(4) 0.3701(3) 0.0467(12) Uani 0.446(2) 1 d D U P A 2
O1_15 O 0.4674(7) 0.3868(10) 0.2372(7) 0.048(3) Uani 0.334(4) 1 d D U P B 2
C1_15 C 0.5526(8) 0.3763(7) 0.2147(5) 0.053(2) Uani 0.334(4) 1 d D U P B 2
C2_15 C 0.5808(8) 0.3560(8) 0.2781(6) 0.061(3) Uani 0.334(4) 1 d D U P B 2
F1_15 F 0.5898(12) 0.2751(8) 0.3092(8) 0.083(4) Uani 0.334(4) 1 d D U P B 2
F2_15 F 0.6581(7) 0.3659(9) 0.2635(6) 0.081(3) Uani 0.334(4) 1 d D U P B 2
F3_15 F 0.5171(7) 0.4025(6) 0.3189(5) 0.067(3) Uani 0.334(4) 1 d D U P B 2
C3_15 C 0.5663(9) 0.4603(8) 0.1704(7) 0.072(3) Uani 0.334(4) 1 d D U P B 2
F4_15 F 0.5167(10) 0.4952(12) 0.1270(7) 0.095(5) Uani 0.334(4) 1 d D U P B 2
F5_15 F 0.5471(11) 0.5127(8) 0.2067(6) 0.108(4) Uani 0.334(4) 1 d D U P B 2
F6_15 F 0.6502(8) 0.4463(10) 0.1354(7) 0.107(4) Uani 0.334(4) 1 d D U P B 2
C4_15 C 0.6019(9) 0.3022(9) 0.1806(6) 0.070(3) Uani 0.334(4) 1 d D U P B 2
F7_15 F 0.5982(9) 0.3295(10) 0.1182(5) 0.088(3) Uani 0.334(4) 1 d D U P B 2
F8_15 F 0.6889(8) 0.2659(10) 0.1804(7) 0.108(4) Uani 0.334(4) 1 d D U P B 2
F9_15 F 0.5676(10) 0.2406(8) 0.2086(7) 0.091(3) Uani 0.334(4) 1 d D U P B 2
O1_16 O 0.3048(16) 0.3814(11) 0.2864(7) 0.064(4) Uani 0.533(7) 1 d D U P B 2
C1_16 C 0.2914(7) 0.3221(7) 0.3421(5) 0.0566(18) Uani 0.533(7) 1 d D U P B 2
C2_16 C 0.3682(7) 0.2345(6) 0.3356(5) 0.070(2) Uani 0.533(7) 1 d D U P B 2
F1_16 F 0.4418(6) 0.2298(6) 0.3465(5) 0.086(3) Uani 0.533(7) 1 d D U P B 2
F2_16 F 0.3496(13) 0.1682(9) 0.3761(8) 0.087(4) Uani 0.533(7) 1 d D U P B 2
F3_16 F 0.3883(11) 0.2266(14) 0.2742(7) 0.080(4) Uani 0.533(7) 1 d D U P B 2
C3_16 C 0.1993(7) 0.3157(6) 0.3547(5) 0.070(2) Uani 0.533(7) 1 d D U P B 2
F4_16 F 0.1378(9) 0.3938(8) 0.3456(7) 0.076(3) Uani 0.533(7) 1 d D U P B 2
F5_16 F 0.2055(7) 0.2756(6) 0.3137(4) 0.093(3) Uani 0.533(7) 1 d D U P B 2
F6_16 F 0.1723(15) 0.2722(10) 0.4154(6) 0.090(4) Uani 0.533(7) 1 d D U P B 2
C4_16 C 0.2895(7) 0.3464(6) 0.4021(4) 0.069(2) Uani 0.533(7) 1 d D U P B 2
F7_16 F 0.2126(8) 0.4092(7) 0.4201(6) 0.082(3) Uani 0.533(7) 1 d D U P B 2
F8_16 F 0.2955(10) 0.2823(8) 0.4534(5) 0.093(4) Uani 0.533(7) 1 d D U P B 2
F9_16 F 0.3520(12) 0.3786(10) 0.3859(9) 0.093(4) Uani 0.533(7) 1 d D U P B 2
O1_17 O 0.3105(11) 0.5326(7) 0.2058(9) 0.047(4) Uani 0.249(4) 1 d D U P B 2
C1_17 C 0.2652(8) 0.6133(7) 0.2180(6) 0.034(2) Uani 0.249(4) 1 d D U P B 2
C2_17 C 0.3121(10) 0.6771(9) 0.1709(7) 0.052(4) Uani 0.249(4) 1 d D U P B 2
F1_17 F 0.2574(11) 0.7588(8) 0.1714(8) 0.068(4) Uani 0.249(4) 1 d D U P B 2
F2_17 F 0.3416(12) 0.6685(11) 0.1093(7) 0.069(4) Uani 0.249(4) 1 d D U P B 2
F3_17 F 0.3848(9) 0.6623(10) 0.1887(8) 0.077(4) Uani 0.249(4) 1 d D U P B 2
C3_17 C 0.2581(10) 0.6069(8) 0.2904(6) 0.046(3) Uani 0.249(4) 1 d D U P B 2
F4_17 F 0.1910(13) 0.5796(15) 0.3297(10) 0.062(5) Uani 0.249(4) 1 d D U P B 2
F5_17 F 0.3350(9) 0.5508(9) 0.3047(6) 0.065(4) Uani 0.249(4) 1 d D U P B 2
F6_17 F 0.2431(12) 0.6798(7) 0.3012(7) 0.073(4) Uani 0.249(4) 1 d D U P B 2
C4_17 C 0.1672(8) 0.6548(9) 0.2099(7) 0.054(3) Uani 0.249(4) 1 d D U P B 2
F7_17 F 0.1285(10) 0.5974(10) 0.2326(8) 0.067(4) Uani 0.249(4) 1 d D U P B 2
F8_17 F 0.1138(10) 0.7148(9) 0.2428(7) 0.075(4) Uani 0.249(4) 1 d D U P B 2
F9_17 F 0.1677(11) 0.6882(9) 0.1468(6) 0.081(5) Uani 0.249(4) 1 d D U P B 2
O1_19 O 0.9973(16) 0.1364(13) 0.3003(12) 0.043(3) Uani 0.218(2) 1 d D U P A 2
C1_19 C 0.9259(10) 0.2066(8) 0.3135(6) 0.0470(13) Uani 0.218(2) 1 d D U P A 2
C2_19 C 0.9347(10) 0.2388(9) 0.3647(7) 0.0576(14) Uani 0.218(2) 1 d D U P A 2
F1_19 F 0.9360(12) 0.1834(9) 0.4215(6) 0.070(2) Uani 0.218(2) 1 d D U P A 2
F2_19 F 0.8683(10) 0.3123(8) 0.3739(8) 0.063(2) Uani 0.218(2) 1 d D U P A 2
F3_19 F 1.0156(10) 0.2462(12) 0.3436(9) 0.0603(18) Uani 0.218(2) 1 d D U P A 2
C3_19 C 0.9153(10) 0.2810(8) 0.2530(6) 0.0448(14) Uani 0.218(2) 1 d D U P A 2
F4_19 F 0.9159(11) 0.2511(9) 0.2063(7) 0.0499(18) Uani 0.218(2) 1 d D U P A 2
F5_19 F 0.9800(10) 0.3131(10) 0.2271(7) 0.0472(18) Uani 0.218(2) 1 d D U P A 2
F6_19 F 0.8380(9) 0.3450(8) 0.2644(8) 0.059(2) Uani 0.218(2) 1 d D U P A 2
C4_19 C 0.8390(10) 0.1824(10) 0.3404(7) 0.0580(15) Uani 0.218(2) 1 d D U P A 2
F7_19 F 0.8201(9) 0.1718(9) 0.2921(7) 0.0613(18) Uani 0.218(2) 1 d D U P A 2
F8_19 F 0.7708(12) 0.2367(11) 0.3723(8) 0.070(3) Uani 0.218(2) 1 d D U P A 2
F9_19 F 0.8599(12) 0.1070(10) 0.3837(8) 0.068(3) Uani 0.218(2) 1 d D U P A 2
O1_14 O 0.9940(13) 0.1407(11) 0.2942(10) 0.039(2) Uani 0.276(2) 1 d D U P A 3
C1_14 C 0.9208(8) 0.2113(7) 0.2992(5) 0.0456(12) Uani 0.276(2) 1 d D U P A 3
C2_14 C 0.8470(9) 0.1893(9) 0.3602(6) 0.0563(15) Uani 0.276(2) 1 d D U P A 3
F1_14 F 0.7658(9) 0.2467(10) 0.3552(7) 0.066(2) Uani 0.276(2) 1 d D U P A 3
F2_14 F 0.8405(8) 0.1176(7) 0.3585(6) 0.0601(18) Uani 0.276(2) 1 d D U P A 3
F3_14 F 0.8653(9) 0.1747(8) 0.4154(5) 0.0643(18) Uani 0.276(2) 1 d D U P A 3
C3_14 C 0.9448(9) 0.2806(7) 0.3071(6) 0.0507(12) Uani 0.276(2) 1 d D U P A 3
F4_14 F 0.8703(8) 0.3392(7) 0.3354(7) 0.0584(19) Uani 0.276(2) 1 d D U P A 3
F5_14 F 0.9921(9) 0.2374(9) 0.3528(6) 0.0574(16) Uani 0.276(2) 1 d D U P A 3
F6_14 F 0.9707(10) 0.3249(9) 0.2447(6) 0.053(2) Uani 0.276(2) 1 d D U P A 3
C4_14 C 0.8831(9) 0.2514(8) 0.2363(6) 0.0457(14) Uani 0.276(2) 1 d D U P A 3
F7_14 F 0.9520(7) 0.2451(7) 0.1841(5) 0.0461(19) Uani 0.276(2) 1 d D U P A 3
F8_14 F 0.8338(9) 0.3335(7) 0.2364(7) 0.054(2) Uani 0.276(2) 1 d D U P A 3
F9_14 F 0.8358(7) 0.2078(7) 0.2377(6) 0.0546(18) Uani 0.276(2) 1 d D U P A 3
C1_20 C 0.5853(3) 0.9459(2) 0.38724(19) 0.0324(8) Uani 1 1 d D U . C 1
H1_20 H 0.527089 0.970474 0.418629 0.039 Uiso 1 1 calc R U . C 1
C2_20 C 0.6152(3) 1.0200(3) 0.3403(2) 0.0381(9) Uani 1 1 d D U . C 1
H2A_20 H 0.671968 0.998115 0.307519 0.046 Uiso 1 1 calc R U . C 1
H2B_20 H 0.568870 1.060483 0.316598 0.046 Uiso 1 1 calc R U . C 1
C3_20 C 0.6292(4) 1.0656(3) 0.3788(2) 0.0459(11) Uani 1 1 d D U . C 1
H3A_20 H 0.652298 1.110904 0.347764 0.055 Uiso 1 1 calc R U . C 1
H3B_20 H 0.570669 1.093096 0.407664 0.055 Uiso 1 1 calc R U . C 1
C4_20 C 0.6948(3) 1.0052(3) 0.4202(2) 0.0417(10) Uani 1 1 d D U . C 1
H4A_20 H 0.755254 0.982914 0.391024 0.050 Uiso 1 1 calc R U . C 1
H4B_20 H 0.698811 1.036741 0.446290 0.050 Uiso 1 1 calc R U . C 1
C5_20 C 0.6659(3) 0.9315(3) 0.4658(2) 0.0421(10) Uani 1 1 d D U . C 1
H5A_20 H 0.608769 0.953029 0.498409 0.050 Uiso 1 1 calc R U . C 1
H5B_20 H 0.712017 0.891412 0.489721 0.050 Uiso 1 1 calc R U . C 1
C6_20 C 0.6529(3) 0.8848(3) 0.4273(2) 0.0394(9) Uani 1 1 d D U . C 1
H6A_20 H 0.711342 0.858779 0.397568 0.047 Uiso 1 1 calc R U . C 1
H6B_20 H 0.631301 0.838563 0.458115 0.047 Uiso 1 1 calc R U . C 1
C1_21 C 0.6607(3) 0.9978(3) 0.11086(18) 0.0318(8) Uani 1 1 d D U . D 1
H1_21 H 0.705965 0.959738 0.080784 0.038 Uiso 1 1 calc R U . D 1
C2_21 C 0.7121(3) 1.0344(3) 0.1281(2) 0.0446(10) Uani 1 1 d D U . D 1
H2A_21 H 0.757493 0.987486 0.150183 0.054 Uiso 1 1 calc R U . D 1
H2B_21 H 0.670016 1.071700 0.158685 0.054 Uiso 1 1 calc R U . D 1
C3_21 C 0.7590(4) 1.0857(4) 0.0660(3) 0.0567(14) Uani 1 1 d D U . D 1
H3A_21 H 0.789917 1.110865 0.078374 0.068 Uiso 1 1 calc R U . D 1
H3B_21 H 0.804996 1.046958 0.037415 0.068 Uiso 1 1 calc R U . D 1
C4_21 C 0.6928(4) 1.1562(3) 0.0284(2) 0.0544(13) Uani 1 1 d D U . D 1
H4A_21 H 0.650317 1.198246 0.055236 0.065 Uiso 1 1 calc R U . D 1
H4B_21 H 0.725760 1.185888 -0.012424 0.065 Uiso 1 1 calc R U . D 1
C5_21 C 0.6411(4) 1.1203(3) 0.0117(2) 0.0496(11) Uani 1 1 d D U . D 1
H5A_21 H 0.682907 1.083764 -0.019553 0.060 Uiso 1 1 calc R U . D 1
H5B_21 H 0.595534 1.167628 -0.010008 0.060 Uiso 1 1 calc R U . D 1
C6_21 C 0.5946(3) 1.0683(3) 0.0724(2) 0.0392(9) Uani 1 1 d D U . D 1
H6A_21 H 0.565205 1.042537 0.059005 0.047 Uiso 1 1 calc R U . D 1
H6B_21 H 0.547231 1.106404 0.101019 0.047 Uiso 1 1 calc R U . D 1
C1_22 C 0.5600(3) 0.8845(2) 0.15012(19) 0.0313(8) Uani 1 1 d D U . E 1
H1_22 H 0.520954 0.932019 0.122427 0.038 Uiso 1 1 calc R U . E 1
C2_22 C 0.6363(3) 0.8257(3) 0.1063(2) 0.0380(9) Uani 1 1 d D U . E 1
H2A_22 H 0.671127 0.858690 0.070025 0.046 Uiso 1 1 calc R U . E 1
H2B_22 H 0.677437 0.779637 0.132310 0.046 Uiso 1 1 calc R U . E 1
C3_22 C 0.5989(3) 0.7867(3) 0.0779(2) 0.0451(11) Uani 1 1 d D U . E 1
H3A_22 H 0.563219 0.832310 0.047893 0.054 Uiso 1 1 calc R U . E 1
H3B_22 H 0.649337 0.746447 0.052231 0.054 Uiso 1 1 calc R U . E 1
C4_22 C 0.5401(3) 0.7402(3) 0.1316(2) 0.0450(11) Uani 1 1 d D U . E 1
H4A_22 H 0.577459 0.690341 0.158428 0.054 Uiso 1 1 calc R U . E 1
H4B_22 H 0.513828 0.719050 0.111573 0.054 Uiso 1 1 calc R U . E 1
C5_22 C 0.4648(3) 0.7978(3) 0.1754(3) 0.0473(11) Uani 1 1 d D U . E 1
H5A_22 H 0.423739 0.844401 0.149579 0.057 Uiso 1 1 calc R U . E 1
H5B_22 H 0.429805 0.764641 0.211325 0.057 Uiso 1 1 calc R U . E 1
C6_22 C 0.5023(3) 0.8357(3) 0.2045(2) 0.0385(9) Uani 1 1 d D U . E 1
H6A_22 H 0.539091 0.789410 0.233549 0.046 Uiso 1 1 calc R U . E 1
H6B_22 H 0.451944 0.874662 0.231316 0.046 Uiso 1 1 calc R U . E 1
C1_23 C 0.5186(3) 0.8093(3) 0.41151(18) 0.0350(9) Uani 1 1 d D U . F 1
H1_23 H 0.569359 0.764205 0.430049 0.042 Uiso 1 1 calc R U . F 1
C2_23 C 0.4461(3) 0.8471(3) 0.46844(19) 0.0410(10) Uani 1 1 d D U . F 1
H2A_23 H 0.470322 0.873292 0.485912 0.049 Uiso 1 1 calc R U . F 1
H2B_23 H 0.394083 0.892189 0.452471 0.049 Uiso 1 1 calc R U . F 1
C3_23 C 0.4153(4) 0.7781(3) 0.5231(2) 0.0472(11) Uani 1 1 d D U . F 1
H3A_23 H 0.466350 0.735520 0.541439 0.057 Uiso 1 1 calc R U . F 1
H3B_23 H 0.367150 0.804125 0.558734 0.057 Uiso 1 1 calc R U . F 1
C4_23 C 0.3806(3) 0.7338(3) 0.4980(2) 0.0465(11) Uani 1 1 d D U . F 1
H4A_23 H 0.325451 0.774998 0.484227 0.056 Uiso 1 1 calc R U . F 1
H4B_23 H 0.364757 0.687320 0.533818 0.056 Uiso 1 1 calc R U . F 1
C5_23 C 0.4509(4) 0.6973(3) 0.4403(2) 0.0467(11) Uani 1 1 d D U . F 1
H5A_23 H 0.424655 0.673129 0.422810 0.056 Uiso 1 1 calc R U . F 1
H5B_23 H 0.502449 0.650426 0.455865 0.056 Uiso 1 1 calc R U . F 1
C6_23 C 0.4848(3) 0.7641(3) 0.3853(2) 0.0408(10) Uani 1 1 d D U . F 1
H6A_23 H 0.435506 0.806705 0.365119 0.049 Uiso 1 1 calc R U . F 1
H6B_23 H 0.534304 0.736351 0.351012 0.049 Uiso 1 1 calc R U . F 1
C1_24 C 0.8721(3) 0.5490(3) 0.1505(2) 0.0425(11) Uani 1 1 d D U . G 1
H1_24 H 0.852121 0.506884 0.189651 0.051 Uiso 1 1 calc R U . G 1
C2_24 C 0.9567(3) 0.4981(3) 0.1059(2) 0.0479(12) Uani 1 1 d D U . G 1
H2A_24 H 1.003958 0.463662 0.129765 0.058 Uiso 1 1 calc R U . G 1
H2B_24 H 0.979794 0.537665 0.066895 0.058 Uiso 1 1 calc R U . G 1
C3_24 C 0.9349(4) 0.4393(3) 0.0842(2) 0.0560(14) Uani 1 1 d D U . G 1
H3A_24 H 0.989206 0.409481 0.053350 0.067 Uiso 1 1 calc R U . G 1
H3B_24 H 0.918552 0.395754 0.122933 0.067 Uiso 1 1 calc R U . G 1
C4_24 C 0.8584(4) 0.4878(3) 0.0513(2) 0.0543(13) Uani 1 1 d D U . G 1
H4A_24 H 0.876963 0.527314 0.009984 0.065 Uiso 1 1 calc R U . G 1
H4B_24 H 0.844586 0.447263 0.040170 0.065 Uiso 1 1 calc R U . G 1
C5_24 C 0.7748(4) 0.5381(3) 0.0958(2) 0.0532(13) Uani 1 1 d D U . G 1
H5A_24 H 0.752884 0.498257 0.135268 0.064 Uiso 1 1 calc R U . G 1
H5B_24 H 0.726801 0.571348 0.072529 0.064 Uiso 1 1 calc R U . G 1
C6_24 C 0.7955(3) 0.5986(3) 0.1164(2) 0.0433(11) Uani 1 1 d D U . G 1
H6A_24 H 0.740941 0.629192 0.146657 0.052 Uiso 1 1 calc R U . G 1
H6B_24 H 0.812681 0.641280 0.077265 0.052 Uiso 1 1 calc R U . G 1
C1_25 C 0.9365(3) 0.6939(3) 0.1094(2) 0.0416(10) Uani 1 1 d D U . H 1
H1_25 H 0.913678 0.700852 0.072342 0.050 Uiso 1 1 calc R U . H 1
C2_25 C 1.0391(3) 0.6577(3) 0.0867(2) 0.0505(12) Uani 1 1 d D U . H 1
H2A_25 H 1.064764 0.650050 0.121949 0.061 Uiso 1 1 calc R U . H 1
H2B_25 H 1.058735 0.601254 0.077684 0.061 Uiso 1 1 calc R U . H 1
C3_25 C 1.0738(4) 0.7172(3) 0.0251(2) 0.0544(13) Uani 1 1 d D U . H 1
H3A_25 H 1.140341 0.693671 0.011888 0.065 Uiso 1 1 calc R U . H 1
H3B_25 H 1.051759 0.721513 -0.011071 0.065 Uiso 1 1 calc R U . H 1
C4_25 C 1.0421(3) 0.8056(3) 0.0372(3) 0.0539(12) Uani 1 1 d D U . H 1
H4A_25 H 1.068386 0.801943 0.070719 0.065 Uiso 1 1 calc R U . H 1
H4B_25 H 1.063068 0.844065 -0.003823 0.065 Uiso 1 1 calc R U . H 1
C5_25 C 0.9398(3) 0.8419(3) 0.0604(2) 0.0512(12) Uani 1 1 d D U . H 1
H5A_25 H 0.920957 0.897813 0.070040 0.061 Uiso 1 1 calc R U . H 1
H5B_25 H 0.913824 0.850995 0.024915 0.061 Uiso 1 1 calc R U . H 1
C6_25 C 0.9036(3) 0.7827(3) 0.1214(2) 0.0448(11) Uani 1 1 d D U . H 1
H6A_25 H 0.837039 0.806315 0.133326 0.054 Uiso 1 1 calc R U . H 1
H6B_25 H 0.923823 0.778740 0.158381 0.054 Uiso 1 1 calc R U . H 1
C1_26 C 0.7844(3) 0.5079(3) 0.4120(2) 0.0451(11) Uani 1 1 d D U . I 1
H1_26 H 0.769376 0.477347 0.390941 0.054 Uiso 1 1 calc R U . I 1
C2_26 C 0.6949(4) 0.5603(3) 0.4525(2) 0.0505(12) Uani 1 1 d D U . I 1
H2A_26 H 0.706707 0.593197 0.473038 0.061 Uiso 1 1 calc R U . I 1
H2B_26 H 0.655957 0.601246 0.423131 0.061 Uiso 1 1 calc R U . I 1
C3_26 C 0.6460(4) 0.5028(4) 0.5060(3) 0.0624(15) Uani 1 1 d D U . I 1
H3A_26 H 0.591433 0.537696 0.533436 0.075 Uiso 1 1 calc R U . I 1
H3B_26 H 0.626866 0.475799 0.485277 0.075 Uiso 1 1 calc R U . I 1
C4_26 C 0.7060(4) 0.4342(3) 0.5489(2) 0.0600(14) Uani 1 1 d D U . I 1
H4A_26 H 0.674155 0.395604 0.580689 0.072 Uiso 1 1 calc R U . I 1
H4B_26 H 0.718675 0.460942 0.573901 0.072 Uiso 1 1 calc R U . I 1
C5_26 C 0.7942(4) 0.3826(3) 0.5086(3) 0.0610(14) Uani 1 1 d D U . I 1
H5A_26 H 0.781906 0.350865 0.487300 0.073 Uiso 1 1 calc R U . I 1
H5B_26 H 0.832699 0.340684 0.537916 0.073 Uiso 1 1 calc R U . I 1
C6_26 C 0.8444(4) 0.4400(3) 0.4557(2) 0.0519(12) Uani 1 1 d D U . I 1
H6A_26 H 0.862089 0.467519 0.476899 0.062 Uiso 1 1 calc R U . I 1
H6B_26 H 0.899671 0.404973 0.428806 0.062 Uiso 1 1 calc R U . I 1
C1_27 C 0.8831(3) 0.6210(3) 0.3840(2) 0.0441(11) Uani 1 1 d D U . J 1
H1_27 H 0.843896 0.619115 0.429880 0.053 Uiso 1 1 calc R U . J 1
C2_27 C 0.9796(3) 0.5669(3) 0.3912(2) 0.0445(11) Uani 1 1 d D U . J 1
H2A_27 H 0.984797 0.506778 0.411402 0.053 Uiso 1 1 calc R U . J 1
H2B_27 H 1.022796 0.569518 0.347341 0.053 Uiso 1 1 calc R U . J 1
C3_27 C 1.0023(4) 0.6003(3) 0.4339(3) 0.0557(13) Uani 1 1 d D U . J 1
H3A_27 H 0.963481 0.591305 0.479095 0.067 Uiso 1 1 calc R U . J 1
H3B_27 H 1.065554 0.567327 0.435742 0.067 Uiso 1 1 calc R U . J 1
C4_27 C 0.9893(4) 0.6941(3) 0.4079(3) 0.0574(14) Uani 1 1 d D U . J 1
H4A_27 H 1.034182 0.702147 0.365482 0.069 Uiso 1 1 calc R U . J 1
H4B_27 H 0.999389 0.714038 0.439038 0.069 Uiso 1 1 calc R U . J 1
C5_27 C 0.8944(4) 0.7475(3) 0.3985(3) 0.0584(15) Uani 1 1 d D U . J 1
H5A_27 H 0.889456 0.807583 0.378460 0.070 Uiso 1 1 calc R U . J 1
H5B_27 H 0.849802 0.745153 0.441718 0.070 Uiso 1 1 calc R U . J 1
C6_27 C 0.8737(4) 0.7143(3) 0.3545(3) 0.0519(13) Uani 1 1 d D U . J 1
H6A_27 H 0.811740 0.748536 0.349923 0.062 Uiso 1 1 calc R U . J 1
H6B_27 H 0.915723 0.719997 0.310292 0.062 Uiso 1 1 calc R U . J 1
H7 H 0.757(3) 0.871(3) 0.257(2) 0.030(11) Uiso 1 1 d . . . . .
O1_18 O 1.101(2) -0.0130(17) 0.3203(15) 0.038(2) Uani 0.136(2) 1 d D U P A 3
C1_18 C 1.1586(12) -0.0695(11) 0.3556(8) 0.0386(15) Uani 0.136(2) 1 d D U P A 3
C2_18 C 1.2274(12) -0.0322(12) 0.3512(9) 0.0423(18) Uani 0.136(2) 1 d D U P A 3
F1_18 F 1.2909(11) -0.0364(12) 0.2947(8) 0.042(3) Uani 0.136(2) 1 d D U P A 3
F2_18 F 1.265(2) -0.075(2) 0.4015(13) 0.051(3) Uani 0.136(2) 1 d D U P A 3
F3_18 F 1.1852(17) 0.0484(11) 0.3571(13) 0.050(3) Uani 0.136(2) 1 d D U P A 3
C3_18 C 1.1140(12) -0.0942(12) 0.4302(8) 0.045(2) Uani 0.136(2) 1 d D U P A 3
F4_18 F 1.0398(13) -0.1079(17) 0.4391(12) 0.049(3) Uani 0.136(2) 1 d D U P A 3
F5_18 F 1.0936(16) -0.0330(12) 0.4594(9) 0.054(3) Uani 0.136(2) 1 d D U P A 3
F6_18 F 1.1739(17) -0.1648(16) 0.4571(15) 0.049(4) Uani 0.136(2) 1 d D U P A 3
C4_18 C 1.2106(13) -0.1571(12) 0.3359(9) 0.0415(19) Uani 0.136(2) 1 d D U P A 3
F7_18 F 1.1552(17) -0.1974(18) 0.3492(14) 0.046(3) Uani 0.136(2) 1 d D U P A 3
F8_18 F 1.2736(16) -0.2066(13) 0.3688(13) 0.043(3) Uani 0.136(2) 1 d D U P A 3
F9_18 F 1.2528(17) -0.1475(14) 0.2722(8) 0.052(3) Uani 0.136(2) 1 d D U P A 3


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 P2 2.4157(12) . ?
Ga1 P1 2.4170(11) . ?
Ga1 Ga2 2.4335(9) . ?
Ga1 H7 1.47(4) . ?
Ga2 O1 1.815(4) . ?
Ga2 P3 2.4782(13) . ?
Ga2 P4 2.4788(13) . ?
P1 C3 1.835(4) . ?
P1 C1_20 1.849(4) . ?
P1 C1_23 1.848(4) . ?
P2 C1_22 1.836(4) . ?
P2 C4 1.840(4) . ?
P2 C1_21 1.845(4) . ?
P3 C5 1.832(4) . ?
P3 C1_26 1.844(5) . ?
P3 C1_27 1.848(5) . ?
P4 C6 1.837(5) . ?
P4 C1_24 1.841(4) . ?
P4 C1_25 1.850(5) . ?
Al2 O1_12 1.644(7) . ?
Al2 O1_13 1.658(6) . ?
Al2 O1_14 1.660(11) . ?
Al2 O1_19 1.680(14) . ?
Al2 O1_1 1.713(5) . ?
Al2 O1_3 1.748(6) . ?
Al2 O1_11 1.757(6) . ?
Al2 O1_18 1.72(2) . ?
Al2 O1_4 1.788(7) . ?
Al2 O1_2 1.791(9) . ?
Al1 O1_15 1.595(10) . ?
Al1 O1_6 1.689(5) . ?
Al1 O1_5 1.702(3) . ?
Al1 O1_7 1.709(15) . ?
Al1 O1_16 1.733(15) . ?
Al1 O1_8 1.793(6) . ?
Al1 O1_17 1.839(11) . ?
O1 C1 1.427(5) . ?
C1 C2 1.505(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.546(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.533(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
O1_1 C1_1 1.349(9) . ?
C1_1 C2_1 1.547(9) . ?
C1_1 C3_1 1.550(9) . ?
C1_1 C4_1 1.559(9) . ?
C2_1 F1_1 1.337(9) . ?
C2_1 F3_1 1.343(10) . ?
C2_1 F2_1 1.340(8) . ?
C3_1 F5_1 1.320(9) . ?
C3_1 F6_1 1.329(8) . ?
C3_1 F4_1 1.345(8) . ?
C4_1 F7_1 1.324(8) . ?
C4_1 F9_1 1.333(8) . ?
C4_1 F8_1 1.339(8) . ?
O1_2 C1_2 1.347(10) . ?
C1_2 C4_2 1.540(9) . ?
C1_2 C3_2 1.553(9) . ?
C1_2 C2_2 1.560(10) . ?
C2_2 F2_2 1.319(9) . ?
C2_2 F1_2 1.334(9) . ?
C2_2 F3_2 1.338(10) . ?
C3_2 F4_2 1.312(10) . ?
C3_2 F5_2 1.328(9) . ?
C3_2 F6_2 1.336(9) . ?
C4_2 F7_2 1.331(10) . ?
C4_2 F9_2 1.336(11) . ?
C4_2 F8_2 1.342(9) . ?
O1_3 C1_3 1.353(9) . ?
C1_3 C3_3 1.534(9) . ?
C1_3 C4_3 1.547(10) . ?
C1_3 C2_3 1.586(10) . ?
C2_3 F1_3 1.276(9) . ?
C2_3 F3_3 1.328(10) . ?
C2_3 F2_3 1.347(9) . ?
C3_3 F5_3 1.345(10) . ?
C3_3 F6_3 1.333(10) . ?
C3_3 F4_3 1.371(10) . ?
C4_3 F7_3 1.330(10) . ?
C4_3 F9_3 1.335(10) . ?
C4_3 F8_3 1.339(9) . ?
O1_4 C1_4 1.336(10) . ?
C1_4 C2_4 1.558(10) . ?
C1_4 C3_4 1.556(11) . ?
C1_4 C4_4 1.567(10) . ?
C2_4 F1_4 1.334(10) . ?
C2_4 F3_4 1.329(10) . ?
C2_4 F2_4 1.346(10) . ?
C3_4 F5_4 1.283(10) . ?
C3_4 F4_4 1.345(10) . ?
C3_4 F6_4 1.335(10) . ?
C4_4 F9_4 1.312(10) . ?
C4_4 F8_4 1.348(9) . ?
C4_4 F7_4 1.344(9) . ?
O1_5 C1_5 1.343(5) . ?
C1_5 C3_5 1.538(7) . ?
C1_5 C4_5 1.546(6) . ?
C1_5 C2_5 1.553(7) . ?
C2_5 F2_5 1.320(6) . ?
C2_5 F1_5 1.336(6) . ?
C2_5 F3_5 1.343(6) . ?
C3_5 F4_5 1.316(7) . ?
C3_5 F6_5 1.331(6) . ?
C3_5 F5_5 1.336(7) . ?
C4_5 F7_5 1.331(7) . ?
C4_5 F9_5 1.329(7) . ?
C4_5 F8_5 1.342(6) . ?
O1_6 C1_6 1.344(7) . ?
C1_6 C2_6 1.546(8) . ?
C1_6 C3_6 1.562(8) . ?
C1_6 C4_6 1.560(7) . ?
C2_6 F3_6 1.351(8) . ?
C2_6 F1_6 1.328(8) . ?
C2_6 F2_6 1.337(6) . ?
C3_6 F4_6 1.321(7) . ?
C3_6 F6_6 1.331(6) . ?
C3_6 F5_6 1.334(7) . ?
C4_6 F7_6 1.318(8) . ?
C4_6 F9_6 1.333(7) . ?
C4_6 F8_6 1.357(7) . ?
O1_7 C1_7 1.346(11) . ?
C1_7 C3_7 1.544(11) . ?
C1_7 C4_7 1.550(10) . ?
C1_7 C2_7 1.562(11) . ?
C2_7 F3_7 1.323(11) . ?
C2_7 F2_7 1.332(11) . ?
C2_7 F1_7 1.338(11) . ?
C3_7 F5_7 1.325(11) . ?
C3_7 F4_7 1.349(12) . ?
C3_7 F6_7 1.342(11) . ?
C4_7 F8_7 1.330(11) . ?
C4_7 F7_7 1.332(10) . ?
C4_7 F9_7 1.336(12) . ?
O1_8 C1_8 1.341(7) . ?
C1_8 C3_8 1.536(8) . ?
C1_8 C2_8 1.548(8) . ?
C1_8 C4_8 1.560(8) . ?
C2_8 F3_8 1.312(8) . ?
C2_8 F1_8 1.330(8) . ?
C2_8 F2_8 1.336(7) . ?
C3_8 F4_8 1.317(9) . ?
C3_8 F5_8 1.342(9) . ?
C3_8 F6_8 1.346(8) . ?
C4_8 F7_8 1.319(8) . ?
C4_8 F8_8 1.325(8) . ?
C4_8 F9_8 1.330(8) . ?
O1_11 C1_11 1.350(10) . ?
C1_11 C2_11 1.550(10) . ?
C1_11 C4_11 1.555(10) . ?
C1_11 C3_11 1.555(10) . ?
C2_11 F1_11 1.334(9) . ?
C2_11 F2_11 1.335(9) . ?
C2_11 F3_11 1.346(9) . ?
C3_11 F4_11 1.334(10) . ?
C3_11 F5_11 1.332(9) . ?
C3_11 F6_11 1.339(10) . ?
C4_11 F7_11 1.341(10) . ?
C4_11 F9_11 1.335(10) . ?
C4_11 F8_11 1.332(9) . ?
O1_12 C1_12 1.356(9) . ?
C1_12 C2_12 1.530(9) . ?
C1_12 C4_12 1.559(9) . ?
C1_12 C3_12 1.560(9) . ?
C2_12 F1_12 1.341(10) . ?
C2_12 F3_12 1.340(9) . ?
C2_12 F2_12 1.347(9) . ?
C3_12 F4_12 1.329(9) . ?
C3_12 F6_12 1.345(9) . ?
C3_12 F5_12 1.328(9) . ?
C4_12 F7_12 1.294(9) . ?
C4_12 F8_12 1.335(11) . ?
C4_12 F9_12 1.333(9) . ?
O1_13 C1_13 1.358(9) . ?
C1_13 C3_13 1.537(10) . ?
C1_13 C4_13 1.567(10) . ?
C1_13 C2_13 1.572(10) . ?
C2_13 F2_13 1.291(9) . ?
C2_13 F3_13 1.368(10) . ?
C2_13 F1_13 1.320(9) . ?
C3_13 F6_13 1.321(9) . ?
C3_13 F4_13 1.327(9) . ?
C3_13 F5_13 1.352(9) . ?
C4_13 F9_13 1.318(9) . ?
C4_13 F8_13 1.340(9) . ?
C4_13 F7_13 1.365(9) . ?
O1_15 C1_15 1.303(12) . ?
C1_15 C4_15 1.527(12) . ?
C1_15 C3_15 1.549(11) . ?
C1_15 C2_15 1.555(11) . ?
C2_15 F2_15 1.319(12) . ?
C2_15 F3_15 1.317(12) . ?
C2_15 F1_15 1.337(12) . ?
C3_15 F6_15 1.315(12) . ?
C3_15 F5_15 1.323(12) . ?
C3_15 F4_15 1.342(12) . ?
C4_15 F7_15 1.335(12) . ?
C4_15 F9_15 1.331(12) . ?
C4_15 F8_15 1.339(12) . ?
O1_16 C1_16 1.348(10) . ?
C1_16 C3_16 1.547(11) . ?
C1_16 C4_16 1.554(11) . ?
C1_16 C2_16 1.558(10) . ?
C2_16 F2_16 1.303(11) . ?
C2_16 F1_16 1.338(11) . ?
C2_16 F3_16 1.344(12) . ?
C3_16 F4_16 1.334(11) . ?
C3_16 F5_16 1.314(11) . ?
C3_16 F6_16 1.337(11) . ?
C4_16 F8_16 1.310(10) . ?
C4_16 F9_16 1.313(12) . ?
C4_16 F7_16 1.340(11) . ?
O1_17 C1_17 1.384(12) . ?
C1_17 C3_17 1.561(11) . ?
C1_17 C2_17 1.549(12) . ?
C1_17 C4_17 1.566(12) . ?
C2_17 F3_17 1.341(13) . ?
C2_17 F2_17 1.333(12) . ?
C2_17 F1_17 1.351(13) . ?
C3_17 F4_17 1.334(13) . ?
C3_17 F6_17 1.315(12) . ?
C3_17 F5_17 1.332(12) . ?
C4_17 F8_17 1.322(12) . ?
C4_17 F9_17 1.334(12) . ?
C4_17 F7_17 1.319(13) . ?
O1_19 C1_19 1.346(12) . ?
C1_19 C3_19 1.537(12) . ?
C1_19 C2_19 1.546(12) . ?
C1_19 C4_19 1.576(12) . ?
C2_19 F1_19 1.316(12) . ?
C2_19 F2_19 1.334(12) . ?
C2_19 F3_19 1.340(13) . ?
C3_19 F5_19 1.322(12) . ?
C3_19 F6_19 1.326(12) . ?
C3_19 F4_19 1.339(12) . ?
C4_19 F8_19 1.305(13) . ?
C4_19 F7_19 1.344(13) . ?
C4_19 F9_19 1.347(13) . ?
O1_14 C1_14 1.339(12) . ?
C1_14 C2_14 1.550(11) . ?
C1_14 C3_14 1.555(12) . ?
C1_14 C4_14 1.584(12) . ?
C2_14 F3_14 1.311(12) . ?
C2_14 F1_14 1.337(12) . ?
C2_14 F2_14 1.357(12) . ?
C3_14 F5_14 1.354(12) . ?
C3_14 F4_14 1.354(12) . ?
C3_14 F6_14 1.365(12) . ?
C4_14 F7_14 1.317(11) . ?
C4_14 F9_14 1.342(12) . ?
C4_14 F8_14 1.339(12) . ?
C1_20 C6_20 1.526(5) . ?
C1_20 C2_20 1.533(6) . ?
C1_20 H1_20 1.0000 . ?
C2_20 C3_20 1.527(5) . ?
C2_20 H2A_20 0.9900 . ?
C2_20 H2B_20 0.9900 . ?
C3_20 C4_20 1.521(6) . ?
C3_20 H3A_20 0.9900 . ?
C3_20 H3B_20 0.9900 . ?
C4_20 C5_20 1.512(6) . ?
C4_20 H4A_20 0.9900 . ?
C4_20 H4B_20 0.9900 . ?
C5_20 C6_20 1.532(5) . ?
C5_20 H5A_20 0.9900 . ?
C5_20 H5B_20 0.9900 . ?
C6_20 H6A_20 0.9900 . ?
C6_20 H6B_20 0.9900 . ?
C1_21 C2_21 1.523(6) . ?
C1_21 C6_21 1.530(5) . ?
C1_21 H1_21 1.0000 . ?
C2_21 C3_21 1.532(6) . ?
C2_21 H2A_21 0.9900 . ?
C2_21 H2B_21 0.9900 . ?
C3_21 C4_21 1.520(7) . ?
C3_21 H3A_21 0.9900 . ?
C3_21 H3B_21 0.9900 . ?
C4_21 C5_21 1.510(7) . ?
C4_21 H4A_21 0.9900 . ?
C4_21 H4B_21 0.9900 . ?
C5_21 C6_21 1.522(6) . ?
C5_21 H5A_21 0.9900 . ?
C5_21 H5B_21 0.9900 . ?
C6_21 H6A_21 0.9900 . ?
C6_21 H6B_21 0.9900 . ?
C1_22 C6_22 1.533(5) . ?
C1_22 C2_22 1.538(5) . ?
C1_22 H1_22 1.0000 . ?
C2_22 C3_22 1.532(6) . ?
C2_22 H2A_22 0.9900 . ?
C2_22 H2B_22 0.9900 . ?
C3_22 C4_22 1.513(6) . ?
C3_22 H3A_22 0.9900 . ?
C3_22 H3B_22 0.9900 . ?
C4_22 C5_22 1.522(6) . ?
C4_22 H4A_22 0.9900 . ?
C4_22 H4B_22 0.9900 . ?
C5_22 C6_22 1.528(6) . ?
C5_22 H5A_22 0.9900 . ?
C5_22 H5B_22 0.9900 . ?
C6_22 H6A_22 0.9900 . ?
C6_22 H6B_22 0.9900 . ?
C1_23 C2_23 1.531(5) . ?
C1_23 C6_23 1.538(5) . ?
C1_23 H1_23 1.0000 . ?
C2_23 C3_23 1.530(6) . ?
C2_23 H2A_23 0.9900 . ?
C2_23 H2B_23 0.9900 . ?
C3_23 C4_23 1.518(6) . ?
C3_23 H3A_23 0.9900 . ?
C3_23 H3B_23 0.9900 . ?
C4_23 C5_23 1.524(6) . ?
C4_23 H4A_23 0.9900 . ?
C4_23 H4B_23 0.9900 . ?
C5_23 C6_23 1.529(6) . ?
C5_23 H5A_23 0.9900 . ?
C5_23 H5B_23 0.9900 . ?
C6_23 H6A_23 0.9900 . ?
C6_23 H6B_23 0.9900 . ?
C1_24 C2_24 1.532(5) . ?
C1_24 C6_24 1.535(6) . ?
C1_24 H1_24 1.0000 . ?
C2_24 C3_24 1.535(6) . ?
C2_24 H2A_24 0.9900 . ?
C2_24 H2B_24 0.9900 . ?
C3_24 C4_24 1.517(7) . ?
C3_24 H3A_24 0.9900 . ?
C3_24 H3B_24 0.9900 . ?
C4_24 C5_24 1.520(6) . ?
C4_24 H4A_24 0.9900 . ?
C4_24 H4B_24 0.9900 . ?
C5_24 C6_24 1.535(6) . ?
C5_24 H5A_24 0.9900 . ?
C5_24 H5B_24 0.9900 . ?
C6_24 H6A_24 0.9900 . ?
C6_24 H6B_24 0.9900 . ?
C1_25 C6_25 1.531(6) . ?
C1_25 C2_25 1.529(6) . ?
C1_25 H1_25 1.0000 . ?
C2_25 C3_25 1.522(6) . ?
C2_25 H2A_25 0.9900 . ?
C2_25 H2B_25 0.9900 . ?
C3_25 C4_25 1.527(7) . ?
C3_25 H3A_25 0.9900 . ?
C3_25 H3B_25 0.9900 . ?
C4_25 C5_25 1.524(7) . ?
C4_25 H4A_25 0.9900 . ?
C4_25 H4B_25 0.9900 . ?
C5_25 C6_25 1.521(6) . ?
C5_25 H5A_25 0.9900 . ?
C5_25 H5B_25 0.9900 . ?
C6_25 H6A_25 0.9900 . ?
C6_25 H6B_25 0.9900 . ?
C1_26 C6_26 1.525(6) . ?
C1_26 C2_26 1.540(6) . ?
C1_26 H1_26 1.0000 . ?
C2_26 C3_26 1.532(7) . ?
C2_26 H2A_26 0.9900 . ?
C2_26 H2B_26 0.9900 . ?
C3_26 C4_26 1.517(7) . ?
C3_26 H3A_26 0.9900 . ?
C3_26 H3B_26 0.9900 . ?
C4_26 C5_26 1.520(8) . ?
C4_26 H4A_26 0.9900 . ?
C4_26 H4B_26 0.9900 . ?
C5_26 C6_26 1.538(7) . ?
C5_26 H5A_26 0.9900 . ?
C5_26 H5B_26 0.9900 . ?
C6_26 H6A_26 0.9900 . ?
C6_26 H6B_26 0.9900 . ?
C1_27 C6_27 1.525(6) . ?
C1_27 C2_27 1.544(6) . ?
C1_27 H1_27 1.0000 . ?
C2_27 C3_27 1.532(6) . ?
C2_27 H2A_27 0.9900 . ?
C2_27 H2B_27 0.9900 . ?
C3_27 C4_27 1.517(7) . ?
C3_27 H3A_27 0.9900 . ?
C3_27 H3B_27 0.9900 . ?
C4_27 C5_27 1.535(6) . ?
C4_27 H4A_27 0.9900 . ?
C4_27 H4B_27 0.9900 . ?
C5_27 C6_27 1.534(6) . ?
C5_27 H5A_27 0.9900 . ?
C5_27 H5B_27 0.9900 . ?
C6_27 H6A_27 0.9900 . ?
C6_27 H6B_27 0.9900 . ?
O1_18 C1_18 1.333(13) . ?
C1_18 C4_18 1.562(12) . ?
C1_18 C3_18 1.558(13) . ?
C1_18 C2_18 1.556(13) . ?
C2_18 F3_18 1.334(13) . ?
C2_18 F2_18 1.342(13) . ?
C2_18 F1_18 1.334(13) . ?
C3_18 F6_18 1.344(13) . ?
C3_18 F4_18 1.331(13) . ?
C3_18 F5_18 1.332(13) . ?
C4_18 F7_18 1.326(13) . ?
C4_18 F9_18 1.333(13) . ?
C4_18 F8_18 1.340(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ga1 P1 87.32(4) . . ?
P2 Ga1 Ga2 119.29(3) . . ?
P1 Ga1 Ga2 117.21(3) . . ?
P2 Ga1 H7 107.0(17) . . ?
P1 Ga1 H7 102.4(18) . . ?
Ga2 Ga1 H7 118.4(17) . . ?
O1 Ga2 Ga1 113.03(11) . . ?
O1 Ga2 P3 106.56(11) . . ?
Ga1 Ga2 P3 120.41(3) . . ?
O1 Ga2 P4 110.04(11) . . ?
Ga1 Ga2 P4 118.29(4) . . ?
P3 Ga2 P4 85.18(4) . . ?
C3 P1 C1_20 106.77(18) . . ?
C3 P1 C1_23 107.7(2) . . ?
C1_20 P1 C1_23 105.82(18) . . ?
C3 P1 Ga1 105.21(13) . . ?
C1_20 P1 Ga1 112.92(13) . . ?
C1_23 P1 Ga1 117.87(13) . . ?
C1_22 P2 C4 108.70(18) . . ?
C1_22 P2 C1_21 105.57(18) . . ?
C4 P2 C1_21 105.67(18) . . ?
C1_22 P2 Ga1 116.24(14) . . ?
C4 P2 Ga1 103.05(13) . . ?
C1_21 P2 Ga1 116.91(13) . . ?
C5 P3 C1_26 105.5(2) . . ?
C5 P3 C1_27 109.1(2) . . ?
C1_26 P3 C1_27 106.3(2) . . ?
C5 P3 Ga2 102.53(14) . . ?
C1_26 P3 Ga2 115.36(16) . . ?
C1_27 P3 Ga2 117.35(14) . . ?
C6 P4 C1_24 107.6(2) . . ?
C6 P4 C1_25 106.5(2) . . ?
C1_24 P4 C1_25 108.0(2) . . ?
C6 P4 Ga2 102.72(14) . . ?
C1_24 P4 Ga2 110.49(16) . . ?
C1_25 P4 Ga2 120.72(13) . . ?
O1_13 Al2 O1_19 108.7(9) . . ?
O1_12 Al2 O1_1 109.5(4) . . ?
O1_12 Al2 O1_3 111.3(4) . . ?
O1_1 Al2 O1_3 110.0(4) . . ?
O1_13 Al2 O1_11 108.6(3) . . ?
O1_19 Al2 O1_11 118.4(10) . . ?
O1_14 Al2 O1_18 98.1(13) . . ?
O1_12 Al2 O1_4 117.2(5) . . ?
O1_1 Al2 O1_4 105.8(4) . . ?
O1_3 Al2 O1_4 102.6(3) . . ?
O1_13 Al2 O1_2 111.8(4) . . ?
O1_19 Al2 O1_2 108.6(11) . . ?
O1_11 Al2 O1_2 100.5(4) . . ?
O1_6 Al1 O1_5 106.2(2) . . ?
O1_6 Al1 O1_7 111.9(6) . . ?
O1_5 Al1 O1_7 114.4(6) . . ?
O1_15 Al1 O1_16 103.8(9) . . ?
O1_6 Al1 O1_8 113.8(3) . . ?
O1_5 Al1 O1_8 104.1(2) . . ?
O1_7 Al1 O1_8 106.2(7) . . ?
O1_15 Al1 O1_17 116.1(9) . . ?
O1_16 Al1 O1_17 98.2(8) . . ?
C1 O1 Ga2 129.6(4) . . ?
O1 C1 C2 110.1(4) . . ?
O1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
O1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 114.5(3) . . ?
C4 C3 H3A 108.6 . . ?
P1 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
P1 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C3 C4 P2 115.1(3) . . ?
C3 C4 H4A 108.5 . . ?
P2 C4 H4A 108.5 . . ?
C3 C4 H4B 108.5 . . ?
P2 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
C6 C5 P3 111.8(3) . . ?
C6 C5 H5A 109.3 . . ?
P3 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
P3 C5 H5B 109.3 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 P4 111.9(4) . . ?
C5 C6 H6A 109.2 . . ?
P4 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
P4 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
C1_1 O1_1 Al2 145.8(6) . . ?
O1_1 C1_1 C2_1 112.2(6) . . ?
O1_1 C1_1 C3_1 107.7(6) . . ?
C2_1 C1_1 C3_1 110.3(6) . . ?
O1_1 C1_1 C4_1 110.8(6) . . ?
C2_1 C1_1 C4_1 108.6(6) . . ?
C3_1 C1_1 C4_1 107.2(6) . . ?
F1_1 C2_1 F3_1 107.2(8) . . ?
F1_1 C2_1 F2_1 108.9(7) . . ?
F3_1 C2_1 F2_1 106.8(8) . . ?
F1_1 C2_1 C1_1 109.5(6) . . ?
F3_1 C2_1 C1_1 110.7(8) . . ?
F2_1 C2_1 C1_1 113.5(7) . . ?
F5_1 C3_1 F6_1 107.9(7) . . ?
F5_1 C3_1 F4_1 106.8(6) . . ?
F6_1 C3_1 F4_1 107.3(6) . . ?
F5_1 C3_1 C1_1 111.1(6) . . ?
F6_1 C3_1 C1_1 112.5(6) . . ?
F4_1 C3_1 C1_1 111.0(6) . . ?
F7_1 C4_1 F9_1 106.8(7) . . ?
F7_1 C4_1 F8_1 108.2(7) . . ?
F9_1 C4_1 F8_1 106.6(6) . . ?
F7_1 C4_1 C1_1 111.9(6) . . ?
F9_1 C4_1 C1_1 111.0(6) . . ?
F8_1 C4_1 C1_1 112.1(6) . . ?
C1_2 O1_2 Al2 149.6(7) . . ?
O1_2 C1_2 C4_2 109.9(7) . . ?
O1_2 C1_2 C3_2 109.9(7) . . ?
C4_2 C1_2 C3_2 108.9(6) . . ?
O1_2 C1_2 C2_2 110.4(7) . . ?
C4_2 C1_2 C2_2 108.5(7) . . ?
C3_2 C1_2 C2_2 109.2(7) . . ?
F2_2 C2_2 F1_2 107.5(8) . . ?
F2_2 C2_2 F3_2 107.4(8) . . ?
F1_2 C2_2 F3_2 108.6(8) . . ?
F2_2 C2_2 C1_2 112.5(7) . . ?
F1_2 C2_2 C1_2 109.3(7) . . ?
F3_2 C2_2 C1_2 111.4(7) . . ?
F4_2 C3_2 F5_2 108.1(8) . . ?
F4_2 C3_2 F6_2 110.1(7) . . ?
F5_2 C3_2 F6_2 105.1(7) . . ?
F4_2 C3_2 C1_2 111.2(7) . . ?
F5_2 C3_2 C1_2 109.9(6) . . ?
F6_2 C3_2 C1_2 112.2(7) . . ?
F7_2 C4_2 F9_2 105.1(10) . . ?
F7_2 C4_2 F8_2 107.0(8) . . ?
F9_2 C4_2 F8_2 109.9(9) . . ?
F7_2 C4_2 C1_2 111.0(7) . . ?
F9_2 C4_2 C1_2 111.7(9) . . ?
F8_2 C4_2 C1_2 111.9(7) . . ?
C1_3 O1_3 Al2 149.7(7) . . ?
O1_3 C1_3 C3_3 111.2(7) . . ?
O1_3 C1_3 C4_3 112.7(7) . . ?
C3_3 C1_3 C4_3 109.7(6) . . ?
O1_3 C1_3 C2_3 108.9(7) . . ?
C3_3 C1_3 C2_3 107.1(6) . . ?
C4_3 C1_3 C2_3 107.0(7) . . ?
F1_3 C2_3 F3_3 110.3(8) . . ?
F1_3 C2_3 F2_3 110.0(8) . . ?
F3_3 C2_3 F2_3 108.8(7) . . ?
F1_3 C2_3 C1_3 110.2(6) . . ?
F3_3 C2_3 C1_3 108.0(7) . . ?
F2_3 C2_3 C1_3 109.5(7) . . ?
F5_3 C3_3 F6_3 106.4(8) . . ?
F5_3 C3_3 F4_3 107.7(8) . . ?
F6_3 C3_3 F4_3 109.8(8) . . ?
F5_3 C3_3 C1_3 110.7(7) . . ?
F6_3 C3_3 C1_3 114.6(8) . . ?
F4_3 C3_3 C1_3 107.4(7) . . ?
F7_3 C4_3 F9_3 112.7(8) . . ?
F7_3 C4_3 F8_3 104.5(8) . . ?
F9_3 C4_3 F8_3 108.1(8) . . ?
F7_3 C4_3 C1_3 110.4(7) . . ?
F9_3 C4_3 C1_3 109.0(7) . . ?
F8_3 C4_3 C1_3 112.1(7) . . ?
C1_4 O1_4 Al2 147.3(7) . . ?
O1_4 C1_4 C2_4 108.2(7) . . ?
O1_4 C1_4 C3_4 108.8(8) . . ?
C2_4 C1_4 C3_4 109.2(8) . . ?
O1_4 C1_4 C4_4 131.4(8) . . ?
C2_4 C1_4 C4_4 113.8(7) . . ?
C3_4 C1_4 C4_4 79.5(6) . . ?
F1_4 C2_4 F3_4 106.8(8) . . ?
F1_4 C2_4 F2_4 107.9(9) . . ?
F3_4 C2_4 F2_4 104.8(9) . . ?
F1_4 C2_4 C1_4 111.1(8) . . ?
F3_4 C2_4 C1_4 111.8(8) . . ?
F2_4 C2_4 C1_4 113.9(9) . . ?
F5_4 C3_4 F4_4 110.7(9) . . ?
F5_4 C3_4 F6_4 109.1(9) . . ?
F4_4 C3_4 F6_4 105.3(8) . . ?
F5_4 C3_4 C1_4 112.0(8) . . ?
F4_4 C3_4 C1_4 107.7(7) . . ?
F6_4 C3_4 C1_4 111.8(8) . . ?
F9_4 C4_4 F8_4 108.0(8) . . ?
F9_4 C4_4 F7_4 108.1(7) . . ?
F8_4 C4_4 F7_4 105.5(8) . . ?
F9_4 C4_4 C1_4 107.8(7) . . ?
F8_4 C4_4 C1_4 107.6(7) . . ?
F7_4 C4_4 C1_4 119.4(8) . . ?
C1_5 O1_5 Al1 147.6(3) . . ?
O1_5 C1_5 C3_5 112.1(4) . . ?
O1_5 C1_5 C4_5 107.6(4) . . ?
C3_5 C1_5 C4_5 109.7(4) . . ?
O1_5 C1_5 C2_5 109.0(4) . . ?
C3_5 C1_5 C2_5 108.9(4) . . ?
C4_5 C1_5 C2_5 109.4(4) . . ?
F2_5 C2_5 F1_5 108.3(4) . . ?
F2_5 C2_5 F3_5 106.4(4) . . ?
F1_5 C2_5 F3_5 106.1(5) . . ?
F2_5 C2_5 C1_5 114.1(5) . . ?
F1_5 C2_5 C1_5 111.2(4) . . ?
F3_5 C2_5 C1_5 110.3(4) . . ?
F4_5 C3_5 F6_5 108.3(5) . . ?
F4_5 C3_5 F5_5 108.0(5) . . ?
F6_5 C3_5 F5_5 107.0(5) . . ?
F4_5 C3_5 C1_5 110.7(5) . . ?
F6_5 C3_5 C1_5 110.8(5) . . ?
F5_5 C3_5 C1_5 111.9(5) . . ?
F7_5 C4_5 F9_5 107.8(5) . . ?
F7_5 C4_5 F8_5 109.2(5) . . ?
F9_5 C4_5 F8_5 106.0(5) . . ?
F7_5 C4_5 C1_5 110.7(5) . . ?
F9_5 C4_5 C1_5 111.0(4) . . ?
F8_5 C4_5 C1_5 112.0(4) . . ?
C1_6 O1_6 Al1 146.6(5) . . ?
O1_6 C1_6 C2_6 110.4(5) . . ?
O1_6 C1_6 C3_6 110.5(5) . . ?
C2_6 C1_6 C3_6 109.3(5) . . ?
O1_6 C1_6 C4_6 106.8(5) . . ?
C2_6 C1_6 C4_6 110.0(5) . . ?
C3_6 C1_6 C4_6 109.7(5) . . ?
F3_6 C2_6 F1_6 106.6(6) . . ?
F3_6 C2_6 F2_6 108.1(5) . . ?
F1_6 C2_6 F2_6 107.9(6) . . ?
F3_6 C2_6 C1_6 111.1(5) . . ?
F1_6 C2_6 C1_6 110.8(5) . . ?
F2_6 C2_6 C1_6 112.2(5) . . ?
F4_6 C3_6 F6_6 108.0(5) . . ?
F4_6 C3_6 F5_6 107.5(5) . . ?
F6_6 C3_6 F5_6 107.2(5) . . ?
F4_6 C3_6 C1_6 110.9(5) . . ?
F6_6 C3_6 C1_6 112.5(5) . . ?
F5_6 C3_6 C1_6 110.6(5) . . ?
F7_6 C4_6 F9_6 109.3(6) . . ?
F7_6 C4_6 F8_6 107.6(6) . . ?
F9_6 C4_6 F8_6 107.8(5) . . ?
F7_6 C4_6 C1_6 110.8(5) . . ?
F9_6 C4_6 C1_6 110.6(5) . . ?
F8_6 C4_6 C1_6 110.6(5) . . ?
C1_7 O1_7 Al1 147.9(15) . . ?
O1_7 C1_7 C3_7 107.8(11) . . ?
O1_7 C1_7 C4_7 114.1(10) . . ?
C3_7 C1_7 C4_7 108.7(8) . . ?
O1_7 C1_7 C2_7 109.0(11) . . ?
C3_7 C1_7 C2_7 107.9(8) . . ?
C4_7 C1_7 C2_7 109.2(8) . . ?
F3_7 C2_7 F2_7 106.3(10) . . ?
F3_7 C2_7 F1_7 105.8(11) . . ?
F2_7 C2_7 F1_7 108.3(10) . . ?
F3_7 C2_7 C1_7 112.7(9) . . ?
F2_7 C2_7 C1_7 113.4(10) . . ?
F1_7 C2_7 C1_7 109.9(8) . . ?
F5_7 C3_7 F4_7 110.4(12) . . ?
F5_7 C3_7 F6_7 109.0(12) . . ?
F4_7 C3_7 F6_7 105.2(13) . . ?
F5_7 C3_7 C1_7 110.4(10) . . ?
F4_7 C3_7 C1_7 109.4(11) . . ?
F6_7 C3_7 C1_7 112.4(11) . . ?
F8_7 C4_7 F7_7 106.3(10) . . ?
F8_7 C4_7 F9_7 107.0(13) . . ?
F7_7 C4_7 F9_7 107.1(11) . . ?
F8_7 C4_7 C1_7 111.2(10) . . ?
F7_7 C4_7 C1_7 112.5(8) . . ?
F9_7 C4_7 C1_7 112.3(12) . . ?
C1_8 O1_8 Al1 150.9(6) . . ?
O1_8 C1_8 C3_8 111.3(6) . . ?
O1_8 C1_8 C2_8 111.2(5) . . ?
C3_8 C1_8 C2_8 109.0(5) . . ?
O1_8 C1_8 C4_8 109.3(5) . . ?
C3_8 C1_8 C4_8 108.7(5) . . ?
C2_8 C1_8 C4_8 107.3(5) . . ?
F3_8 C2_8 F1_8 108.9(6) . . ?
F3_8 C2_8 F2_8 105.8(6) . . ?
F1_8 C2_8 F2_8 107.7(5) . . ?
F3_8 C2_8 C1_8 111.3(6) . . ?
F1_8 C2_8 C1_8 110.3(6) . . ?
F2_8 C2_8 C1_8 112.7(5) . . ?
F4_8 C3_8 F5_8 106.9(7) . . ?
F4_8 C3_8 F6_8 106.6(7) . . ?
F5_8 C3_8 F6_8 107.0(7) . . ?
F4_8 C3_8 C1_8 112.9(6) . . ?
F5_8 C3_8 C1_8 110.7(6) . . ?
F6_8 C3_8 C1_8 112.4(6) . . ?
F7_8 C4_8 F8_8 107.4(6) . . ?
F7_8 C4_8 F9_8 105.8(6) . . ?
F8_8 C4_8 F9_8 108.9(6) . . ?
F7_8 C4_8 C1_8 110.7(6) . . ?
F8_8 C4_8 C1_8 113.7(6) . . ?
F9_8 C4_8 C1_8 110.0(5) . . ?
C1_11 O1_11 Al2 146.7(7) . . ?
O1_11 C1_11 C2_11 110.9(8) . . ?
O1_11 C1_11 C4_11 108.7(7) . . ?
C2_11 C1_11 C4_11 110.0(7) . . ?
O1_11 C1_11 C3_11 110.0(7) . . ?
C2_11 C1_11 C3_11 108.1(7) . . ?
C4_11 C1_11 C3_11 109.2(7) . . ?
F1_11 C2_11 F2_11 107.7(8) . . ?
F1_11 C2_11 F3_11 107.0(8) . . ?
F2_11 C2_11 F3_11 107.4(7) . . ?
F1_11 C2_11 C1_11 113.2(8) . . ?
F2_11 C2_11 C1_11 110.9(7) . . ?
F3_11 C2_11 C1_11 110.3(8) . . ?
F4_11 C3_11 F5_11 108.2(8) . . ?
F4_11 C3_11 F6_11 107.1(8) . . ?
F5_11 C3_11 F6_11 106.5(8) . . ?
F4_11 C3_11 C1_11 112.6(8) . . ?
F5_11 C3_11 C1_11 110.7(7) . . ?
F6_11 C3_11 C1_11 111.4(7) . . ?
F7_11 C4_11 F9_11 107.0(10) . . ?
F7_11 C4_11 F8_11 107.9(8) . . ?
F9_11 C4_11 F8_11 109.3(9) . . ?
F7_11 C4_11 C1_11 110.5(7) . . ?
F9_11 C4_11 C1_11 109.6(9) . . ?
F8_11 C4_11 C1_11 112.4(7) . . ?
C1_12 O1_12 Al2 148.4(7) . . ?
O1_12 C1_12 C2_12 108.5(7) . . ?
O1_12 C1_12 C4_12 109.7(7) . . ?
C2_12 C1_12 C4_12 110.7(6) . . ?
O1_12 C1_12 C3_12 110.6(7) . . ?
C2_12 C1_12 C3_12 109.7(6) . . ?
C4_12 C1_12 C3_12 107.7(6) . . ?
F1_12 C2_12 F3_12 106.1(8) . . ?
F1_12 C2_12 F2_12 110.1(8) . . ?
F3_12 C2_12 F2_12 106.3(7) . . ?
F1_12 C2_12 C1_12 112.8(7) . . ?
F3_12 C2_12 C1_12 109.8(7) . . ?
F2_12 C2_12 C1_12 111.4(7) . . ?
F4_12 C3_12 F6_12 107.4(7) . . ?
F4_12 C3_12 F5_12 108.7(8) . . ?
F6_12 C3_12 F5_12 109.8(8) . . ?
F4_12 C3_12 C1_12 110.3(6) . . ?
F6_12 C3_12 C1_12 110.6(7) . . ?
F5_12 C3_12 C1_12 110.0(7) . . ?
F7_12 C4_12 F8_12 107.3(11) . . ?
F7_12 C4_12 F9_12 110.1(7) . . ?
F8_12 C4_12 F9_12 106.8(10) . . ?
F7_12 C4_12 C1_12 113.0(7) . . ?
F8_12 C4_12 C1_12 110.2(8) . . ?
F9_12 C4_12 C1_12 109.2(7) . . ?
C1_13 O1_13 Al2 148.6(6) . . ?
O1_13 C1_13 C3_13 112.1(7) . . ?
O1_13 C1_13 C4_13 110.0(7) . . ?
C3_13 C1_13 C4_13 107.9(7) . . ?
O1_13 C1_13 C2_13 82.2(6) . . ?
C3_13 C1_13 C2_13 108.0(7) . . ?
C4_13 C1_13 C2_13 133.5(8) . . ?
F2_13 C2_13 F3_13 105.0(8) . . ?
F2_13 C2_13 F1_13 112.0(8) . . ?
F3_13 C2_13 F1_13 101.8(8) . . ?
F2_13 C2_13 C1_13 119.5(8) . . ?
F3_13 C2_13 C1_13 114.3(7) . . ?
F1_13 C2_13 C1_13 102.9(7) . . ?
F6_13 C3_13 F4_13 108.6(7) . . ?
F6_13 C3_13 F5_13 106.4(7) . . ?
F4_13 C3_13 F5_13 105.4(8) . . ?
F6_13 C3_13 C1_13 114.5(7) . . ?
F4_13 C3_13 C1_13 112.0(7) . . ?
F5_13 C3_13 C1_13 109.4(7) . . ?
F9_13 C4_13 F8_13 108.4(7) . . ?
F9_13 C4_13 F7_13 105.9(7) . . ?
F8_13 C4_13 F7_13 106.4(7) . . ?
F9_13 C4_13 C1_13 112.5(7) . . ?
F8_13 C4_13 C1_13 113.5(7) . . ?
F7_13 C4_13 C1_13 109.7(7) . . ?
C1_15 O1_15 Al1 143.6(11) . . ?
O1_15 C1_15 C4_15 109.4(10) . . ?
O1_15 C1_15 C3_15 110.9(11) . . ?
C4_15 C1_15 C3_15 113.4(10) . . ?
O1_15 C1_15 C2_15 102.4(9) . . ?
C4_15 C1_15 C2_15 112.2(9) . . ?
C3_15 C1_15 C2_15 107.9(9) . . ?
F2_15 C2_15 F3_15 111.9(11) . . ?
F2_15 C2_15 F1_15 109.2(12) . . ?
F3_15 C2_15 F1_15 105.9(12) . . ?
F2_15 C2_15 C1_15 110.5(10) . . ?
F3_15 C2_15 C1_15 110.9(10) . . ?
F1_15 C2_15 C1_15 108.3(10) . . ?
F6_15 C3_15 F5_15 107.5(13) . . ?
F6_15 C3_15 F4_15 105.9(12) . . ?
F5_15 C3_15 F4_15 112.1(14) . . ?
F6_15 C3_15 C1_15 111.2(11) . . ?
F5_15 C3_15 C1_15 110.1(10) . . ?
F4_15 C3_15 C1_15 109.9(11) . . ?
F7_15 C4_15 F9_15 107.4(12) . . ?
F7_15 C4_15 F8_15 107.3(12) . . ?
F9_15 C4_15 F8_15 106.6(13) . . ?
F7_15 C4_15 C1_15 110.3(11) . . ?
F9_15 C4_15 C1_15 113.1(11) . . ?
F8_15 C4_15 C1_15 111.9(11) . . ?
C1_16 O1_16 Al1 149.9(17) . . ?
O1_16 C1_16 C3_16 108.7(12) . . ?
O1_16 C1_16 C4_16 111.6(11) . . ?
C3_16 C1_16 C4_16 107.8(8) . . ?
O1_16 C1_16 C2_16 109.9(11) . . ?
C3_16 C1_16 C2_16 110.4(8) . . ?
C4_16 C1_16 C2_16 108.4(8) . . ?
F2_16 C2_16 F1_16 105.3(12) . . ?
F2_16 C2_16 F3_16 108.1(13) . . ?
F1_16 C2_16 F3_16 108.9(11) . . ?
F2_16 C2_16 C1_16 115.4(11) . . ?
F1_16 C2_16 C1_16 111.2(9) . . ?
F3_16 C2_16 C1_16 107.8(11) . . ?
F4_16 C3_16 F5_16 109.5(11) . . ?
F4_16 C3_16 F6_16 108.9(11) . . ?
F5_16 C3_16 F6_16 107.5(10) . . ?
F4_16 C3_16 C1_16 109.4(9) . . ?
F5_16 C3_16 C1_16 109.4(8) . . ?
F6_16 C3_16 C1_16 112.2(11) . . ?
F8_16 C4_16 F9_16 112.5(13) . . ?
F8_16 C4_16 F7_16 106.7(10) . . ?
F9_16 C4_16 F7_16 104.2(11) . . ?
F8_16 C4_16 C1_16 112.2(10) . . ?
F9_16 C4_16 C1_16 109.8(10) . . ?
F7_16 C4_16 C1_16 111.2(9) . . ?
C1_17 O1_17 Al1 161.0(16) . . ?
O1_17 C1_17 C3_17 108.6(11) . . ?
O1_17 C1_17 C2_17 112.5(11) . . ?
C3_17 C1_17 C2_17 109.8(10) . . ?
O1_17 C1_17 C4_17 113.5(11) . . ?
C3_17 C1_17 C4_17 107.1(9) . . ?
C2_17 C1_17 C4_17 105.0(9) . . ?
F3_17 C2_17 F2_17 106.2(14) . . ?
F3_17 C2_17 F1_17 108.2(13) . . ?
F2_17 C2_17 F1_17 108.2(14) . . ?
F3_17 C2_17 C1_17 109.5(11) . . ?
F2_17 C2_17 C1_17 112.2(12) . . ?
F1_17 C2_17 C1_17 112.2(11) . . ?
F4_17 C3_17 F6_17 108.6(14) . . ?
F4_17 C3_17 F5_17 109.3(14) . . ?
F6_17 C3_17 F5_17 108.4(12) . . ?
F4_17 C3_17 C1_17 108.5(13) . . ?
F6_17 C3_17 C1_17 113.3(11) . . ?
F5_17 C3_17 C1_17 108.6(10) . . ?
F8_17 C4_17 F9_17 108.4(12) . . ?
F8_17 C4_17 F7_17 105.3(13) . . ?
F9_17 C4_17 F7_17 108.1(13) . . ?
F8_17 C4_17 C1_17 113.5(11) . . ?
F9_17 C4_17 C1_17 110.6(11) . . ?
F7_17 C4_17 C1_17 110.6(12) . . ?
C1_19 O1_19 Al2 153.7(19) . . ?
O1_19 C1_19 C3_19 113.2(14) . . ?
O1_19 C1_19 C2_19 110.4(13) . . ?
C3_19 C1_19 C2_19 106.7(10) . . ?
O1_19 C1_19 C4_19 107.8(15) . . ?
C3_19 C1_19 C4_19 108.3(10) . . ?
C2_19 C1_19 C4_19 110.4(10) . . ?
F1_19 C2_19 F2_19 109.2(13) . . ?
F1_19 C2_19 F3_19 104.0(13) . . ?
F2_19 C2_19 F3_19 111.8(14) . . ?
F1_19 C2_19 C1_19 112.9(12) . . ?
F2_19 C2_19 C1_19 111.0(12) . . ?
F3_19 C2_19 C1_19 107.8(12) . . ?
F5_19 C3_19 F6_19 107.3(13) . . ?
F5_19 C3_19 F4_19 106.1(13) . . ?
F6_19 C3_19 F4_19 107.8(13) . . ?
F5_19 C3_19 C1_19 116.0(12) . . ?
F6_19 C3_19 C1_19 112.4(11) . . ?
F4_19 C3_19 C1_19 106.9(11) . . ?
F8_19 C4_19 F7_19 112.6(15) . . ?
F8_19 C4_19 F9_19 107.3(14) . . ?
F7_19 C4_19 F9_19 108.4(14) . . ?
F8_19 C4_19 C1_19 112.0(14) . . ?
F7_19 C4_19 C1_19 110.9(11) . . ?
F9_19 C4_19 C1_19 105.3(12) . . ?
C1_14 O1_14 Al2 150.5(15) . . ?
O1_14 C1_14 C2_14 108.5(13) . . ?
O1_14 C1_14 C3_14 109.3(13) . . ?
C2_14 C1_14 C3_14 110.0(9) . . ?
O1_14 C1_14 C4_14 113.1(12) . . ?
C2_14 C1_14 C4_14 109.5(9) . . ?
C3_14 C1_14 C4_14 106.4(9) . . ?
F3_14 C2_14 F1_14 115.1(12) . . ?
F3_14 C2_14 F2_14 107.7(12) . . ?
F1_14 C2_14 F2_14 101.6(12) . . ?
F3_14 C2_14 C1_14 112.7(11) . . ?
F1_14 C2_14 C1_14 110.4(11) . . ?
F2_14 C2_14 C1_14 108.6(10) . . ?
F5_14 C3_14 F4_14 104.8(11) . . ?
F5_14 C3_14 F6_14 128.8(13) . . ?
F4_14 C3_14 F6_14 103.8(11) . . ?
F5_14 C3_14 C1_14 103.2(10) . . ?
F4_14 C3_14 C1_14 111.0(11) . . ?
F6_14 C3_14 C1_14 105.0(10) . . ?
F7_14 C4_14 F9_14 108.8(11) . . ?
F7_14 C4_14 F8_14 110.0(11) . . ?
F9_14 C4_14 F8_14 112.9(11) . . ?
F7_14 C4_14 C1_14 108.2(10) . . ?
F9_14 C4_14 C1_14 109.6(10) . . ?
F8_14 C4_14 C1_14 107.1(10) . . ?
C6_20 C1_20 C2_20 111.0(4) . . ?
C6_20 C1_20 P1 109.8(3) . . ?
C2_20 C1_20 P1 113.3(3) . . ?
C6_20 C1_20 H1_20 107.5 . . ?
C2_20 C1_20 H1_20 107.5 . . ?
P1 C1_20 H1_20 107.5 . . ?
C3_20 C2_20 C1_20 109.8(4) . . ?
C3_20 C2_20 H2A_20 109.7 . . ?
C1_20 C2_20 H2A_20 109.7 . . ?
C3_20 C2_20 H2B_20 109.7 . . ?
C1_20 C2_20 H2B_20 109.7 . . ?
H2A_20 C2_20 H2B_20 108.2 . . ?
C4_20 C3_20 C2_20 112.2(4) . . ?
C4_20 C3_20 H3A_20 109.2 . . ?
C2_20 C3_20 H3A_20 109.2 . . ?
C4_20 C3_20 H3B_20 109.2 . . ?
C2_20 C3_20 H3B_20 109.2 . . ?
H3A_20 C3_20 H3B_20 107.9 . . ?
C5_20 C4_20 C3_20 111.6(4) . . ?
C5_20 C4_20 H4A_20 109.3 . . ?
C3_20 C4_20 H4A_20 109.3 . . ?
C5_20 C4_20 H4B_20 109.3 . . ?
C3_20 C4_20 H4B_20 109.3 . . ?
H4A_20 C4_20 H4B_20 108.0 . . ?
C4_20 C5_20 C6_20 110.6(4) . . ?
C4_20 C5_20 H5A_20 109.5 . . ?
C6_20 C5_20 H5A_20 109.5 . . ?
C4_20 C5_20 H5B_20 109.5 . . ?
C6_20 C5_20 H5B_20 109.5 . . ?
H5A_20 C5_20 H5B_20 108.1 . . ?
C1_20 C6_20 C5_20 110.9(3) . . ?
C1_20 C6_20 H6A_20 109.5 . . ?
C5_20 C6_20 H6A_20 109.5 . . ?
C1_20 C6_20 H6B_20 109.5 . . ?
C5_20 C6_20 H6B_20 109.5 . . ?
H6A_20 C6_20 H6B_20 108.1 . . ?
C2_21 C1_21 C6_21 110.8(4) . . ?
C2_21 C1_21 P2 112.9(3) . . ?
C6_21 C1_21 P2 112.7(3) . . ?
C2_21 C1_21 H1_21 106.7 . . ?
C6_21 C1_21 H1_21 106.7 . . ?
P2 C1_21 H1_21 106.7 . . ?
C1_21 C2_21 C3_21 110.4(4) . . ?
C1_21 C2_21 H2A_21 109.6 . . ?
C3_21 C2_21 H2A_21 109.6 . . ?
C1_21 C2_21 H2B_21 109.6 . . ?
C3_21 C2_21 H2B_21 109.6 . . ?
H2A_21 C2_21 H2B_21 108.1 . . ?
C4_21 C3_21 C2_21 111.8(4) . . ?
C4_21 C3_21 H3A_21 109.3 . . ?
C2_21 C3_21 H3A_21 109.3 . . ?
C4_21 C3_21 H3B_21 109.3 . . ?
C2_21 C3_21 H3B_21 109.3 . . ?
H3A_21 C3_21 H3B_21 107.9 . . ?
C5_21 C4_21 C3_21 110.6(4) . . ?
C5_21 C4_21 H4A_21 109.5 . . ?
C3_21 C4_21 H4A_21 109.5 . . ?
C5_21 C4_21 H4B_21 109.5 . . ?
C3_21 C4_21 H4B_21 109.5 . . ?
H4A_21 C4_21 H4B_21 108.1 . . ?
C4_21 C5_21 C6_21 111.8(4) . . ?
C4_21 C5_21 H5A_21 109.3 . . ?
C6_21 C5_21 H5A_21 109.3 . . ?
C4_21 C5_21 H5B_21 109.3 . . ?
C6_21 C5_21 H5B_21 109.3 . . ?
H5A_21 C5_21 H5B_21 107.9 . . ?
C5_21 C6_21 C1_21 111.8(4) . . ?
C5_21 C6_21 H6A_21 109.3 . . ?
C1_21 C6_21 H6A_21 109.3 . . ?
C5_21 C6_21 H6B_21 109.3 . . ?
C1_21 C6_21 H6B_21 109.3 . . ?
H6A_21 C6_21 H6B_21 107.9 . . ?
C6_22 C1_22 C2_22 110.2(3) . . ?
C6_22 C1_22 P2 112.3(3) . . ?
C2_22 C1_22 P2 109.9(3) . . ?
C6_22 C1_22 H1_22 108.1 . . ?
C2_22 C1_22 H1_22 108.1 . . ?
P2 C1_22 H1_22 108.1 . . ?
C3_22 C2_22 C1_22 111.0(4) . . ?
C3_22 C2_22 H2A_22 109.4 . . ?
C1_22 C2_22 H2A_22 109.4 . . ?
C3_22 C2_22 H2B_22 109.4 . . ?
C1_22 C2_22 H2B_22 109.4 . . ?
H2A_22 C2_22 H2B_22 108.0 . . ?
C4_22 C3_22 C2_22 111.3(4) . . ?
C4_22 C3_22 H3A_22 109.4 . . ?
C2_22 C3_22 H3A_22 109.4 . . ?
C4_22 C3_22 H3B_22 109.4 . . ?
C2_22 C3_22 H3B_22 109.4 . . ?
H3A_22 C3_22 H3B_22 108.0 . . ?
C3_22 C4_22 C5_22 111.5(4) . . ?
C3_22 C4_22 H4A_22 109.3 . . ?
C5_22 C4_22 H4A_22 109.3 . . ?
C3_22 C4_22 H4B_22 109.3 . . ?
C5_22 C4_22 H4B_22 109.3 . . ?
H4A_22 C4_22 H4B_22 108.0 . . ?
C6_22 C5_22 C4_22 111.1(4) . . ?
C6_22 C5_22 H5A_22 109.4 . . ?
C4_22 C5_22 H5A_22 109.4 . . ?
C6_22 C5_22 H5B_22 109.4 . . ?
C4_22 C5_22 H5B_22 109.4 . . ?
H5A_22 C5_22 H5B_22 108.0 . . ?
C5_22 C6_22 C1_22 110.7(4) . . ?
C5_22 C6_22 H6A_22 109.5 . . ?
C1_22 C6_22 H6A_22 109.5 . . ?
C5_22 C6_22 H6B_22 109.5 . . ?
C1_22 C6_22 H6B_22 109.5 . . ?
H6A_22 C6_22 H6B_22 108.1 . . ?
C2_23 C1_23 C6_23 110.9(4) . . ?
C2_23 C1_23 P1 113.7(3) . . ?
C6_23 C1_23 P1 112.2(3) . . ?
C2_23 C1_23 H1_23 106.5 . . ?
C6_23 C1_23 H1_23 106.5 . . ?
P1 C1_23 H1_23 106.5 . . ?
C3_23 C2_23 C1_23 110.6(4) . . ?
C3_23 C2_23 H2A_23 109.5 . . ?
C1_23 C2_23 H2A_23 109.5 . . ?
C3_23 C2_23 H2B_23 109.5 . . ?
C1_23 C2_23 H2B_23 109.5 . . ?
H2A_23 C2_23 H2B_23 108.1 . . ?
C4_23 C3_23 C2_23 111.5(4) . . ?
C4_23 C3_23 H3A_23 109.3 . . ?
C2_23 C3_23 H3A_23 109.3 . . ?
C4_23 C3_23 H3B_23 109.3 . . ?
C2_23 C3_23 H3B_23 109.3 . . ?
H3A_23 C3_23 H3B_23 108.0 . . ?
C3_23 C4_23 C5_23 111.0(4) . . ?
C3_23 C4_23 H4A_23 109.4 . . ?
C5_23 C4_23 H4A_23 109.4 . . ?
C3_23 C4_23 H4B_23 109.4 . . ?
C5_23 C4_23 H4B_23 109.4 . . ?
H4A_23 C4_23 H4B_23 108.0 . . ?
C4_23 C5_23 C6_23 112.5(4) . . ?
C4_23 C5_23 H5A_23 109.1 . . ?
C6_23 C5_23 H5A_23 109.1 . . ?
C4_23 C5_23 H5B_23 109.1 . . ?
C6_23 C5_23 H5B_23 109.1 . . ?
H5A_23 C5_23 H5B_23 107.8 . . ?
C5_23 C6_23 C1_23 111.0(3) . . ?
C5_23 C6_23 H6A_23 109.4 . . ?
C1_23 C6_23 H6A_23 109.4 . . ?
C5_23 C6_23 H6B_23 109.4 . . ?
C1_23 C6_23 H6B_23 109.4 . . ?
H6A_23 C6_23 H6B_23 108.0 . . ?
C2_24 C1_24 C6_24 110.9(3) . . ?
C2_24 C1_24 P4 115.2(4) . . ?
C6_24 C1_24 P4 109.3(3) . . ?
C2_24 C1_24 H1_24 107.0 . . ?
C6_24 C1_24 H1_24 107.0 . . ?
P4 C1_24 H1_24 107.0 . . ?
C1_24 C2_24 C3_24 110.1(4) . . ?
C1_24 C2_24 H2A_24 109.6 . . ?
C3_24 C2_24 H2A_24 109.6 . . ?
C1_24 C2_24 H2B_24 109.6 . . ?
C3_24 C2_24 H2B_24 109.6 . . ?
H2A_24 C2_24 H2B_24 108.1 . . ?
C4_24 C3_24 C2_24 112.2(4) . . ?
C4_24 C3_24 H3A_24 109.2 . . ?
C2_24 C3_24 H3A_24 109.2 . . ?
C4_24 C3_24 H3B_24 109.2 . . ?
C2_24 C3_24 H3B_24 109.2 . . ?
H3A_24 C3_24 H3B_24 107.9 . . ?
C5_24 C4_24 C3_24 111.0(4) . . ?
C5_24 C4_24 H4A_24 109.4 . . ?
C3_24 C4_24 H4A_24 109.4 . . ?
C5_24 C4_24 H4B_24 109.4 . . ?
C3_24 C4_24 H4B_24 109.4 . . ?
H4A_24 C4_24 H4B_24 108.0 . . ?
C4_24 C5_24 C6_24 110.6(5) . . ?
C4_24 C5_24 H5A_24 109.5 . . ?
C6_24 C5_24 H5A_24 109.5 . . ?
C4_24 C5_24 H5B_24 109.5 . . ?
C6_24 C5_24 H5B_24 109.5 . . ?
H5A_24 C5_24 H5B_24 108.1 . . ?
C5_24 C6_24 C1_24 110.7(4) . . ?
C5_24 C6_24 H6A_24 109.5 . . ?
C1_24 C6_24 H6A_24 109.5 . . ?
C5_24 C6_24 H6B_24 109.5 . . ?
C1_24 C6_24 H6B_24 109.5 . . ?
H6A_24 C6_24 H6B_24 108.1 . . ?
C6_25 C1_25 C2_25 111.0(4) . . ?
C6_25 C1_25 P4 111.6(3) . . ?
C2_25 C1_25 P4 113.6(3) . . ?
C6_25 C1_25 H1_25 106.7 . . ?
C2_25 C1_25 H1_25 106.7 . . ?
P4 C1_25 H1_25 106.7 . . ?
C3_25 C2_25 C1_25 110.6(4) . . ?
C3_25 C2_25 H2A_25 109.5 . . ?
C1_25 C2_25 H2A_25 109.5 . . ?
C3_25 C2_25 H2B_25 109.5 . . ?
C1_25 C2_25 H2B_25 109.5 . . ?
H2A_25 C2_25 H2B_25 108.1 . . ?
C4_25 C3_25 C2_25 110.5(4) . . ?
C4_25 C3_25 H3A_25 109.5 . . ?
C2_25 C3_25 H3A_25 109.5 . . ?
C4_25 C3_25 H3B_25 109.5 . . ?
C2_25 C3_25 H3B_25 109.5 . . ?
H3A_25 C3_25 H3B_25 108.1 . . ?
C5_25 C4_25 C3_25 110.7(5) . . ?
C5_25 C4_25 H4A_25 109.5 . . ?
C3_25 C4_25 H4A_25 109.5 . . ?
C5_25 C4_25 H4B_25 109.5 . . ?
C3_25 C4_25 H4B_25 109.5 . . ?
H4A_25 C4_25 H4B_25 108.1 . . ?
C6_25 C5_25 C4_25 111.7(4) . . ?
C6_25 C5_25 H5A_25 109.3 . . ?
C4_25 C5_25 H5A_25 109.3 . . ?
C6_25 C5_25 H5B_25 109.3 . . ?
C4_25 C5_25 H5B_25 109.3 . . ?
H5A_25 C5_25 H5B_25 108.0 . . ?
C5_25 C6_25 C1_25 110.6(4) . . ?
C5_25 C6_25 H6A_25 109.5 . . ?
C1_25 C6_25 H6A_25 109.5 . . ?
C5_25 C6_25 H6B_25 109.5 . . ?
C1_25 C6_25 H6B_25 109.5 . . ?
H6A_25 C6_25 H6B_25 108.1 . . ?
C6_26 C1_26 C2_26 111.3(4) . . ?
C6_26 C1_26 P3 113.6(4) . . ?
C2_26 C1_26 P3 111.0(3) . . ?
C6_26 C1_26 H1_26 106.8 . . ?
C2_26 C1_26 H1_26 106.8 . . ?
P3 C1_26 H1_26 106.8 . . ?
C3_26 C2_26 C1_26 111.3(4) . . ?
C3_26 C2_26 H2A_26 109.4 . . ?
C1_26 C2_26 H2A_26 109.4 . . ?
C3_26 C2_26 H2B_26 109.4 . . ?
C1_26 C2_26 H2B_26 109.4 . . ?
H2A_26 C2_26 H2B_26 108.0 . . ?
C4_26 C3_26 C2_26 111.3(5) . . ?
C4_26 C3_26 H3A_26 109.4 . . ?
C2_26 C3_26 H3A_26 109.4 . . ?
C4_26 C3_26 H3B_26 109.4 . . ?
C2_26 C3_26 H3B_26 109.4 . . ?
H3A_26 C3_26 H3B_26 108.0 . . ?
C3_26 C4_26 C5_26 111.7(4) . . ?
C3_26 C4_26 H4A_26 109.3 . . ?
C5_26 C4_26 H4A_26 109.3 . . ?
C3_26 C4_26 H4B_26 109.3 . . ?
C5_26 C4_26 H4B_26 109.3 . . ?
H4A_26 C4_26 H4B_26 107.9 . . ?
C4_26 C5_26 C6_26 111.6(4) . . ?
C4_26 C5_26 H5A_26 109.3 . . ?
C6_26 C5_26 H5A_26 109.3 . . ?
C4_26 C5_26 H5B_26 109.3 . . ?
C6_26 C5_26 H5B_26 109.3 . . ?
H5A_26 C5_26 H5B_26 108.0 . . ?
C1_26 C6_26 C5_26 110.2(5) . . ?
C1_26 C6_26 H6A_26 109.6 . . ?
C5_26 C6_26 H6A_26 109.6 . . ?
C1_26 C6_26 H6B_26 109.6 . . ?
C5_26 C6_26 H6B_26 109.6 . . ?
H6A_26 C6_26 H6B_26 108.1 . . ?
C6_27 C1_27 C2_27 110.1(4) . . ?
C6_27 C1_27 P3 114.8(3) . . ?
C2_27 C1_27 P3 114.9(3) . . ?
C6_27 C1_27 H1_27 105.3 . . ?
C2_27 C1_27 H1_27 105.3 . . ?
P3 C1_27 H1_27 105.3 . . ?
C3_27 C2_27 C1_27 110.1(4) . . ?
C3_27 C2_27 H2A_27 109.6 . . ?
C1_27 C2_27 H2A_27 109.6 . . ?
C3_27 C2_27 H2B_27 109.6 . . ?
C1_27 C2_27 H2B_27 109.6 . . ?
H2A_27 C2_27 H2B_27 108.2 . . ?
C4_27 C3_27 C2_27 112.2(4) . . ?
C4_27 C3_27 H3A_27 109.2 . . ?
C2_27 C3_27 H3A_27 109.2 . . ?
C4_27 C3_27 H3B_27 109.2 . . ?
C2_27 C3_27 H3B_27 109.2 . . ?
H3A_27 C3_27 H3B_27 107.9 . . ?
C3_27 C4_27 C5_27 111.4(5) . . ?
C3_27 C4_27 H4A_27 109.4 . . ?
C5_27 C4_27 H4A_27 109.4 . . ?
C3_27 C4_27 H4B_27 109.4 . . ?
C5_27 C4_27 H4B_27 109.4 . . ?
H4A_27 C4_27 H4B_27 108.0 . . ?
C4_27 C5_27 C6_27 110.9(4) . . ?
C4_27 C5_27 H5A_27 109.5 . . ?
C6_27 C5_27 H5A_27 109.5 . . ?
C4_27 C5_27 H5B_27 109.5 . . ?
C6_27 C5_27 H5B_27 109.5 . . ?
H5A_27 C5_27 H5B_27 108.0 . . ?
C1_27 C6_27 C5_27 110.0(4) . . ?
C1_27 C6_27 H6A_27 109.7 . . ?
C5_27 C6_27 H6A_27 109.7 . . ?
C1_27 C6_27 H6B_27 109.7 . . ?
C5_27 C6_27 H6B_27 109.7 . . ?
H6A_27 C6_27 H6B_27 108.2 . . ?
C1_18 O1_18 Al2 156(2) . . ?
O1_18 C1_18 C4_18 114.3(16) . . ?
O1_18 C1_18 C3_18 114.1(16) . . ?
C4_18 C1_18 C3_18 103.4(11) . . ?
O1_18 C1_18 C2_18 110.3(16) . . ?
C4_18 C1_18 C2_18 109.1(12) . . ?
C3_18 C1_18 C2_18 105.1(12) . . ?
F3_18 C2_18 F2_18 106.0(17) . . ?
F3_18 C2_18 F1_18 110.1(16) . . ?
F2_18 C2_18 F1_18 109.6(17) . . ?
F3_18 C2_18 C1_18 110.0(15) . . ?
F2_18 C2_18 C1_18 110.2(17) . . ?
F1_18 C2_18 C1_18 110.8(14) . . ?
F6_18 C3_18 F4_18 110.6(17) . . ?
F6_18 C3_18 F5_18 107.8(17) . . ?
F4_18 C3_18 F5_18 109.6(16) . . ?
F6_18 C3_18 C1_18 107.9(15) . . ?
F4_18 C3_18 C1_18 110.1(14) . . ?
F5_18 C3_18 C1_18 110.8(14) . . ?
F7_18 C4_18 F9_18 108.5(17) . . ?
F7_18 C4_18 F8_18 108.5(18) . . ?
F9_18 C4_18 F8_18 107.1(17) . . ?
F7_18 C4_18 C1_18 110.9(16) . . ?
F9_18 C4_18 C1_18 111.4(14) . . ?
F8_18 C4_18 C1_18 110.3(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ga1 Ga2 O1 C1 -177.6(3) . . . . ?
P3 Ga2 O1 C1 -43.2(4) . . . . ?
P4 Ga2 O1 C1 47.7(4) . . . . ?
Ga2 O1 C1 C2 140.0(4) . . . . ?
C1_20 P1 C3 C4 93.7(3) . . . . ?
C1_23 P1 C3 C4 -153.1(3) . . . . ?
Ga1 P1 C3 C4 -26.6(3) . . . . ?
P1 C3 C4 P2 44.6(4) . . . . ?
C1_22 P2 C4 C3 86.0(3) . . . . ?
C1_21 P2 C4 C3 -161.1(3) . . . . ?
Ga1 P2 C4 C3 -37.9(3) . . . . ?
C1_26 P3 C5 C6 164.7(4) . . . . ?
C1_27 P3 C5 C6 -81.5(4) . . . . ?
Ga2 P3 C5 C6 43.6(4) . . . . ?
P3 C5 C6 P4 -59.5(4) . . . . ?
C1_24 P4 C6 C5 -74.9(3) . . . . ?
C1_25 P4 C6 C5 169.6(3) . . . . ?
Ga2 P4 C6 C5 41.7(3) . . . . ?
O1_12 Al2 O1_1 C1_1 31.7(10) . . . . ?
O1_3 Al2 O1_1 C1_1 -90.9(10) . . . . ?
O1_4 Al2 O1_1 C1_1 158.9(9) . . . . ?
Al2 O1_1 C1_1 C2_1 60.4(11) . . . . ?
Al2 O1_1 C1_1 C3_1 -178.2(7) . . . . ?
Al2 O1_1 C1_1 C4_1 -61.2(11) . . . . ?
O1_1 C1_1 C2_1 F1_1 -44.0(9) . . . . ?
C3_1 C1_1 C2_1 F1_1 -164.0(6) . . . . ?
C4_1 C1_1 C2_1 F1_1 78.8(8) . . . . ?
O1_1 C1_1 C2_1 F3_1 73.9(10) . . . . ?
C3_1 C1_1 C2_1 F3_1 -46.1(10) . . . . ?
C4_1 C1_1 C2_1 F3_1 -163.3(8) . . . . ?
O1_1 C1_1 C2_1 F2_1 -166.0(7) . . . . ?
C3_1 C1_1 C2_1 F2_1 74.0(8) . . . . ?
C4_1 C1_1 C2_1 F2_1 -43.2(9) . . . . ?
O1_1 C1_1 C3_1 F5_1 -42.9(9) . . . . ?
C2_1 C1_1 C3_1 F5_1 79.7(8) . . . . ?
C4_1 C1_1 C3_1 F5_1 -162.2(6) . . . . ?
O1_1 C1_1 C3_1 F6_1 -164.0(7) . . . . ?
C2_1 C1_1 C3_1 F6_1 -41.4(9) . . . . ?
C4_1 C1_1 C3_1 F6_1 76.7(8) . . . . ?
O1_1 C1_1 C3_1 F4_1 75.8(8) . . . . ?
C2_1 C1_1 C3_1 F4_1 -161.6(6) . . . . ?
C4_1 C1_1 C3_1 F4_1 -43.5(8) . . . . ?
O1_1 C1_1 C4_1 F7_1 -36.1(9) . . . . ?
C2_1 C1_1 C4_1 F7_1 -159.8(7) . . . . ?
C3_1 C1_1 C4_1 F7_1 81.1(8) . . . . ?
O1_1 C1_1 C4_1 F9_1 83.1(8) . . . . ?
C2_1 C1_1 C4_1 F9_1 -40.5(8) . . . . ?
C3_1 C1_1 C4_1 F9_1 -159.7(6) . . . . ?
O1_1 C1_1 C4_1 F8_1 -157.8(7) . . . . ?
C2_1 C1_1 C4_1 F8_1 78.5(8) . . . . ?
C3_1 C1_1 C4_1 F8_1 -40.6(8) . . . . ?
O1_13 Al2 O1_2 C1_2 -70.3(17) . . . . ?
O1_19 Al2 O1_2 C1_2 169.7(18) . . . . ?
O1_11 Al2 O1_2 C1_2 44.7(17) . . . . ?
Al2 O1_2 C1_2 C4_2 172.0(13) . . . . ?
Al2 O1_2 C1_2 C3_2 52.2(18) . . . . ?
Al2 O1_2 C1_2 C2_2 -68.3(17) . . . . ?
O1_2 C1_2 C2_2 F2_2 -161.5(9) . . . . ?
C4_2 C1_2 C2_2 F2_2 -41.0(10) . . . . ?
C3_2 C1_2 C2_2 F2_2 77.6(9) . . . . ?
O1_2 C1_2 C2_2 F1_2 -42.1(10) . . . . ?
C4_2 C1_2 C2_2 F1_2 78.4(9) . . . . ?
C3_2 C1_2 C2_2 F1_2 -163.1(7) . . . . ?
O1_2 C1_2 C2_2 F3_2 77.9(9) . . . . ?
C4_2 C1_2 C2_2 F3_2 -161.6(7) . . . . ?
C3_2 C1_2 C2_2 F3_2 -43.1(9) . . . . ?
O1_2 C1_2 C3_2 F4_2 74.1(10) . . . . ?
C4_2 C1_2 C3_2 F4_2 -46.2(10) . . . . ?
C2_2 C1_2 C3_2 F4_2 -164.6(8) . . . . ?
O1_2 C1_2 C3_2 F5_2 -45.5(10) . . . . ?
C4_2 C1_2 C3_2 F5_2 -165.8(7) . . . . ?
C2_2 C1_2 C3_2 F5_2 75.8(8) . . . . ?
O1_2 C1_2 C3_2 F6_2 -162.0(8) . . . . ?
C4_2 C1_2 C3_2 F6_2 77.6(9) . . . . ?
C2_2 C1_2 C3_2 F6_2 -40.8(10) . . . . ?
O1_2 C1_2 C4_2 F7_2 -44.6(10) . . . . ?
C3_2 C1_2 C4_2 F7_2 75.8(9) . . . . ?
C2_2 C1_2 C4_2 F7_2 -165.4(7) . . . . ?
O1_2 C1_2 C4_2 F9_2 72.3(12) . . . . ?
C3_2 C1_2 C4_2 F9_2 -167.3(10) . . . . ?
C2_2 C1_2 C4_2 F9_2 -48.5(11) . . . . ?
O1_2 C1_2 C4_2 F8_2 -164.0(8) . . . . ?
C3_2 C1_2 C4_2 F8_2 -43.6(9) . . . . ?
C2_2 C1_2 C4_2 F8_2 75.2(9) . . . . ?
O1_12 Al2 O1_3 C1_3 154.5(14) . . . . ?
O1_1 Al2 O1_3 C1_3 -83.9(14) . . . . ?
O1_4 Al2 O1_3 C1_3 28.3(15) . . . . ?
Al2 O1_3 C1_3 C3_3 -176.5(11) . . . . ?
Al2 O1_3 C1_3 C4_3 -52.8(17) . . . . ?
Al2 O1_3 C1_3 C2_3 65.8(15) . . . . ?
O1_3 C1_3 C2_3 F1_3 -44.1(9) . . . . ?
C3_3 C1_3 C2_3 F1_3 -164.4(7) . . . . ?
C4_3 C1_3 C2_3 F1_3 78.1(8) . . . . ?
O1_3 C1_3 C2_3 F3_3 76.5(8) . . . . ?
C3_3 C1_3 C2_3 F3_3 -43.9(9) . . . . ?
C4_3 C1_3 C2_3 F3_3 -161.4(7) . . . . ?
O1_3 C1_3 C2_3 F2_3 -165.2(7) . . . . ?
C3_3 C1_3 C2_3 F2_3 74.4(8) . . . . ?
C4_3 C1_3 C2_3 F2_3 -43.1(9) . . . . ?
O1_3 C1_3 C3_3 F5_3 -38.1(10) . . . . ?
C4_3 C1_3 C3_3 F5_3 -163.5(8) . . . . ?
C2_3 C1_3 C3_3 F5_3 80.8(9) . . . . ?
O1_3 C1_3 C3_3 F6_3 -158.4(8) . . . . ?
C4_3 C1_3 C3_3 F6_3 76.2(9) . . . . ?
C2_3 C1_3 C3_3 F6_3 -39.5(10) . . . . ?
O1_3 C1_3 C3_3 F4_3 79.3(9) . . . . ?
C4_3 C1_3 C3_3 F4_3 -46.1(9) . . . . ?
C2_3 C1_3 C3_3 F4_3 -161.9(7) . . . . ?
O1_3 C1_3 C4_3 F7_3 -43.7(10) . . . . ?
C3_3 C1_3 C4_3 F7_3 80.9(9) . . . . ?
C2_3 C1_3 C4_3 F7_3 -163.3(7) . . . . ?
O1_3 C1_3 C4_3 F9_3 80.7(9) . . . . ?
C3_3 C1_3 C4_3 F9_3 -154.8(7) . . . . ?
C2_3 C1_3 C4_3 F9_3 -39.0(9) . . . . ?
O1_3 C1_3 C4_3 F8_3 -159.7(8) . . . . ?
C3_3 C1_3 C4_3 F8_3 -35.2(10) . . . . ?
C2_3 C1_3 C4_3 F8_3 80.6(9) . . . . ?
O1_12 Al2 O1_4 C1_4 77.6(14) . . . . ?
O1_1 Al2 O1_4 C1_4 -44.9(14) . . . . ?
O1_3 Al2 O1_4 C1_4 -160.2(13) . . . . ?
Al2 O1_4 C1_4 C2_4 104.5(13) . . . . ?
Al2 O1_4 C1_4 C3_4 -137.0(12) . . . . ?
Al2 O1_4 C1_4 C4_4 -44.5(19) . . . . ?
O1_4 C1_4 C2_4 F1_4 77.4(10) . . . . ?
C3_4 C1_4 C2_4 F1_4 -40.9(10) . . . . ?
C4_4 C1_4 C2_4 F1_4 -127.6(9) . . . . ?
O1_4 C1_4 C2_4 F3_4 -41.8(11) . . . . ?
C3_4 C1_4 C2_4 F3_4 -160.1(8) . . . . ?
C4_4 C1_4 C2_4 F3_4 113.2(9) . . . . ?
O1_4 C1_4 C2_4 F2_4 -160.4(9) . . . . ?
C3_4 C1_4 C2_4 F2_4 81.3(11) . . . . ?
C4_4 C1_4 C2_4 F2_4 -5.5(12) . . . . ?
O1_4 C1_4 C3_4 F5_4 -42.2(11) . . . . ?
C2_4 C1_4 C3_4 F5_4 75.8(10) . . . . ?
C4_4 C1_4 C3_4 F5_4 -172.5(9) . . . . ?
O1_4 C1_4 C3_4 F4_4 79.8(9) . . . . ?
C2_4 C1_4 C3_4 F4_4 -162.3(8) . . . . ?
C4_4 C1_4 C3_4 F4_4 -50.5(8) . . . . ?
O1_4 C1_4 C3_4 F6_4 -165.0(9) . . . . ?
C2_4 C1_4 C3_4 F6_4 -47.1(11) . . . . ?
C4_4 C1_4 C3_4 F6_4 64.7(9) . . . . ?
O1_4 C1_4 C4_4 F9_4 81.2(12) . . . . ?
C2_4 C1_4 C4_4 F9_4 -66.5(10) . . . . ?
C3_4 C1_4 C4_4 F9_4 -172.9(8) . . . . ?
O1_4 C1_4 C4_4 F8_4 -162.5(10) . . . . ?
C2_4 C1_4 C4_4 F8_4 49.8(10) . . . . ?
C3_4 C1_4 C4_4 F8_4 -56.6(8) . . . . ?
O1_4 C1_4 C4_4 F7_4 -42.5(15) . . . . ?
C2_4 C1_4 C4_4 F7_4 169.8(8) . . . . ?
C3_4 C1_4 C4_4 F7_4 63.4(9) . . . . ?
O1_6 Al1 O1_5 C1_5 -39.4(7) . . . . ?
O1_7 Al1 O1_5 C1_5 84.6(10) . . . . ?
O1_8 Al1 O1_5 C1_5 -159.9(7) . . . . ?
Al1 O1_5 C1_5 C3_5 59.4(8) . . . . ?
Al1 O1_5 C1_5 C4_5 -179.8(5) . . . . ?
Al1 O1_5 C1_5 C2_5 -61.3(8) . . . . ?
O1_5 C1_5 C2_5 F2_5 167.8(4) . . . . ?
C3_5 C1_5 C2_5 F2_5 45.1(5) . . . . ?
C4_5 C1_5 C2_5 F2_5 -74.8(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -69.3(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 168.0(4) . . . . ?
C4_5 C1_5 C2_5 F1_5 48.1(5) . . . . ?
O1_5 C1_5 C2_5 F3_5 48.1(6) . . . . ?
C3_5 C1_5 C2_5 F3_5 -74.5(5) . . . . ?
C4_5 C1_5 C2_5 F3_5 165.5(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 41.7(6) . . . . ?
C4_5 C1_5 C3_5 F4_5 -77.8(5) . . . . ?
C2_5 C1_5 C3_5 F4_5 162.4(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 161.9(5) . . . . ?
C4_5 C1_5 C3_5 F6_5 42.4(6) . . . . ?
C2_5 C1_5 C3_5 F6_5 -77.3(6) . . . . ?
O1_5 C1_5 C3_5 F5_5 -78.7(5) . . . . ?
C4_5 C1_5 C3_5 F5_5 161.7(4) . . . . ?
C2_5 C1_5 C3_5 F5_5 42.0(5) . . . . ?
O1_5 C1_5 C4_5 F7_5 -75.2(6) . . . . ?
C3_5 C1_5 C4_5 F7_5 47.1(6) . . . . ?
C2_5 C1_5 C4_5 F7_5 166.5(5) . . . . ?
O1_5 C1_5 C4_5 F9_5 44.5(6) . . . . ?
C3_5 C1_5 C4_5 F9_5 166.8(4) . . . . ?
C2_5 C1_5 C4_5 F9_5 -73.8(5) . . . . ?
O1_5 C1_5 C4_5 F8_5 162.7(5) . . . . ?
C3_5 C1_5 C4_5 F8_5 -75.0(6) . . . . ?
C2_5 C1_5 C4_5 F8_5 44.4(7) . . . . ?
O1_5 Al1 O1_6 C1_6 165.5(9) . . . . ?
O1_7 Al1 O1_6 C1_6 39.9(12) . . . . ?
O1_8 Al1 O1_6 C1_6 -80.5(9) . . . . ?
Al1 O1_6 C1_6 C2_6 -68.4(10) . . . . ?
Al1 O1_6 C1_6 C3_6 52.6(10) . . . . ?
Al1 O1_6 C1_6 C4_6 171.9(7) . . . . ?
O1_6 C1_6 C2_6 F3_6 77.8(7) . . . . ?
C3_6 C1_6 C2_6 F3_6 -43.9(7) . . . . ?
C4_6 C1_6 C2_6 F3_6 -164.5(6) . . . . ?
O1_6 C1_6 C2_6 F1_6 -40.4(7) . . . . ?
C3_6 C1_6 C2_6 F1_6 -162.2(5) . . . . ?
C4_6 C1_6 C2_6 F1_6 77.3(6) . . . . ?
O1_6 C1_6 C2_6 F2_6 -161.1(5) . . . . ?
C3_6 C1_6 C2_6 F2_6 77.2(6) . . . . ?
C4_6 C1_6 C2_6 F2_6 -43.4(7) . . . . ?
O1_6 C1_6 C3_6 F4_6 73.8(6) . . . . ?
C2_6 C1_6 C3_6 F4_6 -164.5(5) . . . . ?
C4_6 C1_6 C3_6 F4_6 -43.7(6) . . . . ?
O1_6 C1_6 C3_6 F6_6 -165.1(5) . . . . ?
C2_6 C1_6 C3_6 F6_6 -43.4(6) . . . . ?
C4_6 C1_6 C3_6 F6_6 77.3(6) . . . . ?
O1_6 C1_6 C3_6 F5_6 -45.4(7) . . . . ?
C2_6 C1_6 C3_6 F5_6 76.4(6) . . . . ?
C4_6 C1_6 C3_6 F5_6 -162.9(5) . . . . ?
O1_6 C1_6 C4_6 F7_6 -43.7(7) . . . . ?
C2_6 C1_6 C4_6 F7_6 -163.6(5) . . . . ?
C3_6 C1_6 C4_6 F7_6 76.1(6) . . . . ?
O1_6 C1_6 C4_6 F9_6 77.7(7) . . . . ?
C2_6 C1_6 C4_6 F9_6 -42.2(7) . . . . ?
C3_6 C1_6 C4_6 F9_6 -162.5(5) . . . . ?
O1_6 C1_6 C4_6 F8_6 -162.9(6) . . . . ?
C2_6 C1_6 C4_6 F8_6 77.2(7) . . . . ?
C3_6 C1_6 C4_6 F8_6 -43.1(7) . . . . ?
O1_6 Al1 O1_7 C1_7 -163(2) . . . . ?
O1_5 Al1 O1_7 C1_7 76(3) . . . . ?
O1_8 Al1 O1_7 C1_7 -38(3) . . . . ?
Al1 O1_7 C1_7 C3_7 -168(2) . . . . ?
Al1 O1_7 C1_7 C4_7 -47(3) . . . . ?
Al1 O1_7 C1_7 C2_7 75(3) . . . . ?
O1_7 C1_7 C2_7 F3_7 34.7(15) . . . . ?
C3_7 C1_7 C2_7 F3_7 -82.1(13) . . . . ?
C4_7 C1_7 C2_7 F3_7 159.9(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 155.6(12) . . . . ?
C3_7 C1_7 C2_7 F2_7 38.8(12) . . . . ?
C4_7 C1_7 C2_7 F2_7 -79.2(12) . . . . ?
O1_7 C1_7 C2_7 F1_7 -83.0(13) . . . . ?
C3_7 C1_7 C2_7 F1_7 160.2(9) . . . . ?
C4_7 C1_7 C2_7 F1_7 42.2(11) . . . . ?
O1_7 C1_7 C3_7 F5_7 -70.4(14) . . . . ?
C4_7 C1_7 C3_7 F5_7 165.4(11) . . . . ?
C2_7 C1_7 C3_7 F5_7 47.2(12) . . . . ?
O1_7 C1_7 C3_7 F4_7 51.3(15) . . . . ?
C4_7 C1_7 C3_7 F4_7 -72.9(13) . . . . ?
C2_7 C1_7 C3_7 F4_7 168.9(12) . . . . ?
O1_7 C1_7 C3_7 F6_7 167.8(13) . . . . ?
C4_7 C1_7 C3_7 F6_7 43.6(13) . . . . ?
C2_7 C1_7 C3_7 F6_7 -74.7(13) . . . . ?
O1_7 C1_7 C4_7 F8_7 164.4(15) . . . . ?
C3_7 C1_7 C4_7 F8_7 -75.2(13) . . . . ?
C2_7 C1_7 C4_7 F8_7 42.2(14) . . . . ?
O1_7 C1_7 C4_7 F7_7 -76.4(14) . . . . ?
C3_7 C1_7 C4_7 F7_7 43.9(11) . . . . ?
C2_7 C1_7 C4_7 F7_7 161.4(9) . . . . ?
O1_7 C1_7 C4_7 F9_7 44.5(17) . . . . ?
C3_7 C1_7 C4_7 F9_7 164.9(12) . . . . ?
C2_7 C1_7 C4_7 F9_7 -77.7(13) . . . . ?
O1_6 Al1 O1_8 C1_8 -74.2(11) . . . . ?
O1_5 Al1 O1_8 C1_8 41.1(12) . . . . ?
O1_7 Al1 O1_8 C1_8 162.2(12) . . . . ?
Al1 O1_8 C1_8 C3_8 146.4(10) . . . . ?
Al1 O1_8 C1_8 C2_8 24.7(14) . . . . ?
Al1 O1_8 C1_8 C4_8 -93.6(12) . . . . ?
O1_8 C1_8 C2_8 F3_8 45.2(8) . . . . ?
C3_8 C1_8 C2_8 F3_8 -77.8(8) . . . . ?
C4_8 C1_8 C2_8 F3_8 164.7(6) . . . . ?
O1_8 C1_8 C2_8 F1_8 -75.8(7) . . . . ?
C3_8 C1_8 C2_8 F1_8 161.2(6) . . . . ?
C4_8 C1_8 C2_8 F1_8 43.7(7) . . . . ?
O1_8 C1_8 C2_8 F2_8 163.8(6) . . . . ?
C3_8 C1_8 C2_8 F2_8 40.8(7) . . . . ?
C4_8 C1_8 C2_8 F2_8 -76.7(7) . . . . ?
O1_8 C1_8 C3_8 F4_8 43.4(9) . . . . ?
C2_8 C1_8 C3_8 F4_8 166.4(7) . . . . ?
C4_8 C1_8 C3_8 F4_8 -77.0(8) . . . . ?
O1_8 C1_8 C3_8 F5_8 -76.4(8) . . . . ?
C2_8 C1_8 C3_8 F5_8 46.6(7) . . . . ?
C4_8 C1_8 C3_8 F5_8 163.2(6) . . . . ?
O1_8 C1_8 C3_8 F6_8 164.0(7) . . . . ?
C2_8 C1_8 C3_8 F6_8 -73.0(8) . . . . ?
C4_8 C1_8 C3_8 F6_8 43.6(8) . . . . ?
O1_8 C1_8 C4_8 F7_8 -75.5(7) . . . . ?
C3_8 C1_8 C4_8 F7_8 46.1(8) . . . . ?
C2_8 C1_8 C4_8 F7_8 163.8(6) . . . . ?
O1_8 C1_8 C4_8 F8_8 163.6(6) . . . . ?
C3_8 C1_8 C4_8 F8_8 -74.8(7) . . . . ?
C2_8 C1_8 C4_8 F8_8 42.8(7) . . . . ?
O1_8 C1_8 C4_8 F9_8 41.1(8) . . . . ?
C3_8 C1_8 C4_8 F9_8 162.7(6) . . . . ?
C2_8 C1_8 C4_8 F9_8 -79.6(7) . . . . ?
O1_13 Al2 O1_11 C1_11 -49.3(12) . . . . ?
O1_19 Al2 O1_11 C1_11 75.2(16) . . . . ?
O1_2 Al2 O1_11 C1_11 -166.7(11) . . . . ?
Al2 O1_11 C1_11 C2_11 1.1(15) . . . . ?
Al2 O1_11 C1_11 C4_11 -119.9(11) . . . . ?
Al2 O1_11 C1_11 C3_11 120.6(10) . . . . ?
O1_11 C1_11 C2_11 F1_11 -164.8(8) . . . . ?
C4_11 C1_11 C2_11 F1_11 -44.6(10) . . . . ?
C3_11 C1_11 C2_11 F1_11 74.6(10) . . . . ?
O1_11 C1_11 C2_11 F2_11 -43.5(10) . . . . ?
C4_11 C1_11 C2_11 F2_11 76.7(9) . . . . ?
C3_11 C1_11 C2_11 F2_11 -164.2(7) . . . . ?
O1_11 C1_11 C2_11 F3_11 75.3(9) . . . . ?
C4_11 C1_11 C2_11 F3_11 -164.5(7) . . . . ?
C3_11 C1_11 C2_11 F3_11 -45.3(9) . . . . ?
O1_11 C1_11 C3_11 F4_11 -163.3(8) . . . . ?
C2_11 C1_11 C3_11 F4_11 -42.1(10) . . . . ?
C4_11 C1_11 C3_11 F4_11 77.5(9) . . . . ?
O1_11 C1_11 C3_11 F5_11 -42.0(11) . . . . ?
C2_11 C1_11 C3_11 F5_11 79.2(10) . . . . ?
C4_11 C1_11 C3_11 F5_11 -161.2(8) . . . . ?
O1_11 C1_11 C3_11 F6_11 76.4(9) . . . . ?
C2_11 C1_11 C3_11 F6_11 -162.5(8) . . . . ?
C4_11 C1_11 C3_11 F6_11 -42.8(10) . . . . ?
O1_11 C1_11 C4_11 F7_11 -44.8(10) . . . . ?
C2_11 C1_11 C4_11 F7_11 -166.3(7) . . . . ?
C3_11 C1_11 C4_11 F7_11 75.2(9) . . . . ?
O1_11 C1_11 C4_11 F9_11 72.9(11) . . . . ?
C2_11 C1_11 C4_11 F9_11 -48.7(12) . . . . ?
C3_11 C1_11 C4_11 F9_11 -167.1(10) . . . . ?
O1_11 C1_11 C4_11 F8_11 -165.4(8) . . . . ?
C2_11 C1_11 C4_11 F8_11 73.1(10) . . . . ?
C3_11 C1_11 C4_11 F8_11 -45.4(11) . . . . ?
O1_1 Al2 O1_12 C1_12 -170.2(15) . . . . ?
O1_3 Al2 O1_12 C1_12 -48.3(17) . . . . ?
O1_4 Al2 O1_12 C1_12 69.4(17) . . . . ?
Al2 O1_12 C1_12 C2_12 -174.7(14) . . . . ?
Al2 O1_12 C1_12 C4_12 64.2(18) . . . . ?
Al2 O1_12 C1_12 C3_12 -54.4(18) . . . . ?
O1_12 C1_12 C2_12 F1_12 -74.2(10) . . . . ?
C4_12 C1_12 C2_12 F1_12 46.3(10) . . . . ?
C3_12 C1_12 C2_12 F1_12 164.9(7) . . . . ?
O1_12 C1_12 C2_12 F3_12 43.9(10) . . . . ?
C4_12 C1_12 C2_12 F3_12 164.3(7) . . . . ?
C3_12 C1_12 C2_12 F3_12 -77.0(8) . . . . ?
O1_12 C1_12 C2_12 F2_12 161.4(8) . . . . ?
C4_12 C1_12 C2_12 F2_12 -78.2(9) . . . . ?
C3_12 C1_12 C2_12 F2_12 40.5(10) . . . . ?
O1_12 C1_12 C3_12 F4_12 47.6(9) . . . . ?
C2_12 C1_12 C3_12 F4_12 167.2(7) . . . . ?
C4_12 C1_12 C3_12 F4_12 -72.3(8) . . . . ?
O1_12 C1_12 C3_12 F6_12 166.2(8) . . . . ?
C2_12 C1_12 C3_12 F6_12 -74.1(8) . . . . ?
C4_12 C1_12 C3_12 F6_12 46.4(9) . . . . ?
O1_12 C1_12 C3_12 F5_12 -72.4(9) . . . . ?
C2_12 C1_12 C3_12 F5_12 47.3(9) . . . . ?
C4_12 C1_12 C3_12 F5_12 167.8(8) . . . . ?
O1_12 C1_12 C4_12 F7_12 -77.2(9) . . . . ?
C2_12 C1_12 C4_12 F7_12 163.0(7) . . . . ?
C3_12 C1_12 C4_12 F7_12 43.2(9) . . . . ?
O1_12 C1_12 C4_12 F8_12 162.7(12) . . . . ?
C2_12 C1_12 C4_12 F8_12 43.0(13) . . . . ?
C3_12 C1_12 C4_12 F8_12 -76.9(13) . . . . ?
O1_12 C1_12 C4_12 F9_12 45.7(10) . . . . ?
C2_12 C1_12 C4_12 F9_12 -74.1(9) . . . . ?
C3_12 C1_12 C4_12 F9_12 166.1(7) . . . . ?
O1_19 Al2 O1_13 C1_13 32.7(17) . . . . ?
O1_11 Al2 O1_13 C1_13 162.8(12) . . . . ?
O1_2 Al2 O1_13 C1_13 -87.2(13) . . . . ?
Al2 O1_13 C1_13 C3_13 -87.9(13) . . . . ?
Al2 O1_13 C1_13 C4_13 32.2(15) . . . . ?
Al2 O1_13 C1_13 C2_13 165.8(11) . . . . ?
O1_13 C1_13 C2_13 F2_13 -176.2(9) . . . . ?
C3_13 C1_13 C2_13 F2_13 73.0(11) . . . . ?
C4_13 C1_13 C2_13 F2_13 -65.9(13) . . . . ?
O1_13 C1_13 C2_13 F3_13 58.2(8) . . . . ?
C3_13 C1_13 C2_13 F3_13 -52.6(9) . . . . ?
C4_13 C1_13 C2_13 F3_13 168.5(9) . . . . ?
O1_13 C1_13 C2_13 F1_13 -51.2(7) . . . . ?
C3_13 C1_13 C2_13 F1_13 -162.1(7) . . . . ?
C4_13 C1_13 C2_13 F1_13 59.1(12) . . . . ?
O1_13 C1_13 C3_13 F6_13 166.2(8) . . . . ?
C4_13 C1_13 C3_13 F6_13 44.9(10) . . . . ?
C2_13 C1_13 C3_13 F6_13 -105.1(9) . . . . ?
O1_13 C1_13 C3_13 F4_13 41.9(10) . . . . ?
C4_13 C1_13 C3_13 F4_13 -79.4(9) . . . . ?
C2_13 C1_13 C3_13 F4_13 130.7(8) . . . . ?
O1_13 C1_13 C3_13 F5_13 -74.5(9) . . . . ?
C4_13 C1_13 C3_13 F5_13 164.1(7) . . . . ?
C2_13 C1_13 C3_13 F5_13 14.2(10) . . . . ?
O1_13 C1_13 C4_13 F9_13 35.5(10) . . . . ?
C3_13 C1_13 C4_13 F9_13 158.1(7) . . . . ?
C2_13 C1_13 C4_13 F9_13 -63.0(12) . . . . ?
O1_13 C1_13 C4_13 F8_13 159.1(7) . . . . ?
C3_13 C1_13 C4_13 F8_13 -78.2(9) . . . . ?
C2_13 C1_13 C4_13 F8_13 60.7(12) . . . . ?
O1_13 C1_13 C4_13 F7_13 -82.0(9) . . . . ?
C3_13 C1_13 C4_13 F7_13 40.6(9) . . . . ?
C2_13 C1_13 C4_13 F7_13 179.5(8) . . . . ?
O1_16 Al1 O1_15 C1_15 166.2(19) . . . . ?
O1_17 Al1 O1_15 C1_15 -87(2) . . . . ?
Al1 O1_15 C1_15 C4_15 -71(2) . . . . ?
Al1 O1_15 C1_15 C3_15 55(2) . . . . ?
Al1 O1_15 C1_15 C2_15 170.1(17) . . . . ?
O1_15 C1_15 C2_15 F2_15 -163.1(12) . . . . ?
C4_15 C1_15 C2_15 F2_15 79.7(13) . . . . ?
C3_15 C1_15 C2_15 F2_15 -45.9(14) . . . . ?
O1_15 C1_15 C2_15 F3_15 -38.4(14) . . . . ?
C4_15 C1_15 C2_15 F3_15 -155.7(11) . . . . ?
C3_15 C1_15 C2_15 F3_15 78.7(13) . . . . ?
O1_15 C1_15 C2_15 F1_15 77.4(14) . . . . ?
C4_15 C1_15 C2_15 F1_15 -39.9(15) . . . . ?
C3_15 C1_15 C2_15 F1_15 -165.5(12) . . . . ?
O1_15 C1_15 C3_15 F6_15 -165.0(12) . . . . ?
C4_15 C1_15 C3_15 F6_15 -41.4(15) . . . . ?
C2_15 C1_15 C3_15 F6_15 83.5(13) . . . . ?
O1_15 C1_15 C3_15 F5_15 75.9(14) . . . . ?
C4_15 C1_15 C3_15 F5_15 -160.4(12) . . . . ?
C2_15 C1_15 C3_15 F5_15 -35.5(14) . . . . ?
O1_15 C1_15 C3_15 F4_15 -48.0(15) . . . . ?
C4_15 C1_15 C3_15 F4_15 75.6(15) . . . . ?
C2_15 C1_15 C3_15 F4_15 -159.5(13) . . . . ?
O1_15 C1_15 C4_15 F7_15 86.1(14) . . . . ?
C3_15 C1_15 C4_15 F7_15 -38.3(15) . . . . ?
C2_15 C1_15 C4_15 F7_15 -160.9(11) . . . . ?
O1_15 C1_15 C4_15 F9_15 -34.1(16) . . . . ?
C3_15 C1_15 C4_15 F9_15 -158.5(12) . . . . ?
C2_15 C1_15 C4_15 F9_15 78.9(14) . . . . ?
O1_15 C1_15 C4_15 F8_15 -154.5(13) . . . . ?
C3_15 C1_15 C4_15 F8_15 81.1(14) . . . . ?
C2_15 C1_15 C4_15 F8_15 -41.5(15) . . . . ?
O1_15 Al1 O1_16 C1_16 -33(3) . . . . ?
O1_17 Al1 O1_16 C1_16 -153(3) . . . . ?
Al1 O1_16 C1_16 C3_16 -146(3) . . . . ?
Al1 O1_16 C1_16 C4_16 95(3) . . . . ?
Al1 O1_16 C1_16 C2_16 -26(3) . . . . ?
O1_16 C1_16 C2_16 F2_16 -159.5(15) . . . . ?
C3_16 C1_16 C2_16 F2_16 -39.6(15) . . . . ?
C4_16 C1_16 C2_16 F2_16 78.3(14) . . . . ?
O1_16 C1_16 C2_16 F1_16 80.7(14) . . . . ?
C3_16 C1_16 C2_16 F1_16 -159.3(9) . . . . ?
C4_16 C1_16 C2_16 F1_16 -41.5(11) . . . . ?
O1_16 C1_16 C2_16 F3_16 -38.6(17) . . . . ?
C3_16 C1_16 C2_16 F3_16 81.3(13) . . . . ?
C4_16 C1_16 C2_16 F3_16 -160.8(12) . . . . ?
O1_16 C1_16 C3_16 F4_16 -45.7(14) . . . . ?
C4_16 C1_16 C3_16 F4_16 75.5(11) . . . . ?
C2_16 C1_16 C3_16 F4_16 -166.3(10) . . . . ?
O1_16 C1_16 C3_16 F5_16 74.2(13) . . . . ?
C4_16 C1_16 C3_16 F5_16 -164.7(9) . . . . ?
C2_16 C1_16 C3_16 F5_16 -46.5(11) . . . . ?
O1_16 C1_16 C3_16 F6_16 -166.6(13) . . . . ?
C4_16 C1_16 C3_16 F6_16 -45.5(12) . . . . ?
C2_16 C1_16 C3_16 F6_16 72.7(13) . . . . ?
O1_16 C1_16 C4_16 F8_16 -166.6(14) . . . . ?
C3_16 C1_16 C4_16 F8_16 74.1(12) . . . . ?
C2_16 C1_16 C4_16 F8_16 -45.4(12) . . . . ?
O1_16 C1_16 C4_16 F9_16 -40.7(16) . . . . ?
C3_16 C1_16 C4_16 F9_16 -160.0(11) . . . . ?
C2_16 C1_16 C4_16 F9_16 80.5(12) . . . . ?
O1_16 C1_16 C4_16 F7_16 74.1(15) . . . . ?
C3_16 C1_16 C4_16 F7_16 -45.2(11) . . . . ?
C2_16 C1_16 C4_16 F7_16 -164.7(10) . . . . ?
O1_15 Al1 O1_17 C1_17 -48(4) . . . . ?
O1_16 Al1 O1_17 C1_17 62(4) . . . . ?
Al1 O1_17 C1_17 C3_17 -10(4) . . . . ?
Al1 O1_17 C1_17 C2_17 112(4) . . . . ?
Al1 O1_17 C1_17 C4_17 -129(4) . . . . ?
O1_17 C1_17 C2_17 F3_17 -75.7(17) . . . . ?
C3_17 C1_17 C2_17 F3_17 45.4(15) . . . . ?
C4_17 C1_17 C2_17 F3_17 160.3(12) . . . . ?
O1_17 C1_17 C2_17 F2_17 42.0(18) . . . . ?
C3_17 C1_17 C2_17 F2_17 163.1(13) . . . . ?
C4_17 C1_17 C2_17 F2_17 -82.0(14) . . . . ?
O1_17 C1_17 C2_17 F1_17 164.1(15) . . . . ?
C3_17 C1_17 C2_17 F1_17 -74.8(15) . . . . ?
C4_17 C1_17 C2_17 F1_17 40.1(15) . . . . ?
O1_17 C1_17 C3_17 F4_17 -79.8(16) . . . . ?
C2_17 C1_17 C3_17 F4_17 156.7(14) . . . . ?
C4_17 C1_17 C3_17 F4_17 43.2(15) . . . . ?
O1_17 C1_17 C3_17 F6_17 159.5(14) . . . . ?
C2_17 C1_17 C3_17 F6_17 36.0(15) . . . . ?
C4_17 C1_17 C3_17 F6_17 -77.5(14) . . . . ?
O1_17 C1_17 C3_17 F5_17 39.0(15) . . . . ?
C2_17 C1_17 C3_17 F5_17 -84.5(14) . . . . ?
C4_17 C1_17 C3_17 F5_17 162.0(12) . . . . ?
O1_17 C1_17 C4_17 F8_17 157.0(13) . . . . ?
C3_17 C1_17 C4_17 F8_17 37.1(15) . . . . ?
C2_17 C1_17 C4_17 F8_17 -79.6(14) . . . . ?
O1_17 C1_17 C4_17 F9_17 -80.9(15) . . . . ?
C3_17 C1_17 C4_17 F9_17 159.3(12) . . . . ?
C2_17 C1_17 C4_17 F9_17 42.5(14) . . . . ?
O1_17 C1_17 C4_17 F7_17 38.9(16) . . . . ?
C3_17 C1_17 C4_17 F7_17 -81.0(13) . . . . ?
C2_17 C1_17 C4_17 F7_17 162.2(12) . . . . ?
O1_13 Al2 O1_19 C1_19 -170(5) . . . . ?
O1_11 Al2 O1_19 C1_19 66(5) . . . . ?
O1_2 Al2 O1_19 C1_19 -48(5) . . . . ?
Al2 O1_19 C1_19 C3_19 -41(6) . . . . ?
Al2 O1_19 C1_19 C2_19 -161(5) . . . . ?
Al2 O1_19 C1_19 C4_19 79(5) . . . . ?
O1_19 C1_19 C2_19 F1_19 -62.5(19) . . . . ?
C3_19 C1_19 C2_19 F1_19 174.2(13) . . . . ?
C4_19 C1_19 C2_19 F1_19 56.6(16) . . . . ?
O1_19 C1_19 C2_19 F2_19 174.6(17) . . . . ?
C3_19 C1_19 C2_19 F2_19 51.2(15) . . . . ?
C4_19 C1_19 C2_19 F2_19 -66.3(15) . . . . ?
O1_19 C1_19 C2_19 F3_19 51.9(19) . . . . ?
C3_19 C1_19 C2_19 F3_19 -71.5(14) . . . . ?
C4_19 C1_19 C2_19 F3_19 171.0(13) . . . . ?
O1_19 C1_19 C3_19 F5_19 -65.2(19) . . . . ?
C2_19 C1_19 C3_19 F5_19 56.5(15) . . . . ?
C4_19 C1_19 C3_19 F5_19 175.4(13) . . . . ?
O1_19 C1_19 C3_19 F6_19 170.9(18) . . . . ?
C2_19 C1_19 C3_19 F6_19 -67.5(15) . . . . ?
C4_19 C1_19 C3_19 F6_19 51.4(15) . . . . ?
O1_19 C1_19 C3_19 F4_19 52.8(19) . . . . ?
C2_19 C1_19 C3_19 F4_19 174.5(12) . . . . ?
C4_19 C1_19 C3_19 F4_19 -66.6(14) . . . . ?
O1_19 C1_19 C4_19 F8_19 160.9(16) . . . . ?
C3_19 C1_19 C4_19 F8_19 -76.3(15) . . . . ?
C2_19 C1_19 C4_19 F8_19 40.2(16) . . . . ?
O1_19 C1_19 C4_19 F7_19 -72.4(17) . . . . ?
C3_19 C1_19 C4_19 F7_19 50.4(15) . . . . ?
C2_19 C1_19 C4_19 F7_19 166.9(12) . . . . ?
O1_19 C1_19 C4_19 F9_19 44.6(18) . . . . ?
C3_19 C1_19 C4_19 F9_19 167.4(13) . . . . ?
C2_19 C1_19 C4_19 F9_19 -76.1(15) . . . . ?
O1_18 Al2 O1_14 C1_14 -155(4) . . . . ?
Al2 O1_14 C1_14 C2_14 115(4) . . . . ?
Al2 O1_14 C1_14 C3_14 -126(4) . . . . ?
Al2 O1_14 C1_14 C4_14 -7(5) . . . . ?
O1_14 C1_14 C2_14 F3_14 71.0(15) . . . . ?
C3_14 C1_14 C2_14 F3_14 -48.5(14) . . . . ?
C4_14 C1_14 C2_14 F3_14 -165.1(11) . . . . ?
O1_14 C1_14 C2_14 F1_14 -158.8(15) . . . . ?
C3_14 C1_14 C2_14 F1_14 81.7(14) . . . . ?
C4_14 C1_14 C2_14 F1_14 -34.9(15) . . . . ?
O1_14 C1_14 C2_14 F2_14 -48.2(16) . . . . ?
C3_14 C1_14 C2_14 F2_14 -167.7(11) . . . . ?
C4_14 C1_14 C2_14 F2_14 75.7(12) . . . . ?
O1_14 C1_14 C3_14 F5_14 -46.0(15) . . . . ?
C2_14 C1_14 C3_14 F5_14 73.0(12) . . . . ?
C4_14 C1_14 C3_14 F5_14 -168.4(10) . . . . ?
O1_14 C1_14 C3_14 F4_14 -157.7(14) . . . . ?
C2_14 C1_14 C3_14 F4_14 -38.7(13) . . . . ?
C4_14 C1_14 C3_14 F4_14 79.8(12) . . . . ?
O1_14 C1_14 C3_14 F6_14 90.7(15) . . . . ?
C2_14 C1_14 C3_14 F6_14 -150.2(11) . . . . ?
C4_14 C1_14 C3_14 F6_14 -31.7(13) . . . . ?
O1_14 C1_14 C4_14 F7_14 -39.5(17) . . . . ?
C2_14 C1_14 C4_14 F7_14 -160.7(10) . . . . ?
C3_14 C1_14 C4_14 F7_14 80.5(12) . . . . ?
O1_14 C1_14 C4_14 F9_14 79.0(17) . . . . ?
C2_14 C1_14 C4_14 F9_14 -42.1(13) . . . . ?
C3_14 C1_14 C4_14 F9_14 -160.9(10) . . . . ?
O1_14 C1_14 C4_14 F8_14 -158.1(15) . . . . ?
C2_14 C1_14 C4_14 F8_14 80.7(12) . . . . ?
C3_14 C1_14 C4_14 F8_14 -38.1(13) . . . . ?
C3 P1 C1_20 C6_20 175.9(3) . . . . ?
C1_23 P1 C1_20 C6_20 61.4(3) . . . . ?
Ga1 P1 C1_20 C6_20 -68.9(3) . . . . ?
C3 P1 C1_20 C2_20 -59.3(3) . . . . ?
C1_23 P1 C1_20 C2_20 -173.8(3) . . . . ?
Ga1 P1 C1_20 C2_20 55.9(3) . . . . ?
C6_20 C1_20 C2_20 C3_20 -56.2(5) . . . . ?
P1 C1_20 C2_20 C3_20 179.6(3) . . . . ?
C1_20 C2_20 C3_20 C4_20 55.2(5) . . . . ?
C2_20 C3_20 C4_20 C5_20 -55.4(5) . . . . ?
C3_20 C4_20 C5_20 C6_20 55.2(5) . . . . ?
C2_20 C1_20 C6_20 C5_20 57.4(5) . . . . ?
P1 C1_20 C6_20 C5_20 -176.4(3) . . . . ?
C4_20 C5_20 C6_20 C1_20 -56.5(5) . . . . ?
C1_22 P2 C1_21 C2_21 -174.0(3) . . . . ?
C4 P2 C1_21 C2_21 70.9(3) . . . . ?
Ga1 P2 C1_21 C2_21 -43.0(3) . . . . ?
C1_22 P2 C1_21 C6_21 59.6(3) . . . . ?
C4 P2 C1_21 C6_21 -55.5(3) . . . . ?
Ga1 P2 C1_21 C6_21 -169.4(2) . . . . ?
C6_21 C1_21 C2_21 C3_21 -55.3(5) . . . . ?
P2 C1_21 C2_21 C3_21 177.2(4) . . . . ?
C1_21 C2_21 C3_21 C4_21 56.6(6) . . . . ?
C2_21 C3_21 C4_21 C5_21 -56.2(6) . . . . ?
C3_21 C4_21 C5_21 C6_21 55.0(6) . . . . ?
C4_21 C5_21 C6_21 C1_21 -54.9(6) . . . . ?
C2_21 C1_21 C6_21 C5_21 54.9(5) . . . . ?
P2 C1_21 C6_21 C5_21 -177.6(3) . . . . ?
C4 P2 C1_22 C6_22 -59.8(3) . . . . ?
C1_21 P2 C1_22 C6_22 -172.7(3) . . . . ?
Ga1 P2 C1_22 C6_22 55.9(3) . . . . ?
C4 P2 C1_22 C2_22 177.2(3) . . . . ?
C1_21 P2 C1_22 C2_22 64.2(3) . . . . ?
Ga1 P2 C1_22 C2_22 -67.2(3) . . . . ?
C6_22 C1_22 C2_22 C3_22 56.2(5) . . . . ?
P2 C1_22 C2_22 C3_22 -179.6(3) . . . . ?
C1_22 C2_22 C3_22 C4_22 -55.5(5) . . . . ?
C2_22 C3_22 C4_22 C5_22 55.3(6) . . . . ?
C3_22 C4_22 C5_22 C6_22 -56.0(6) . . . . ?
C4_22 C5_22 C6_22 C1_22 56.8(6) . . . . ?
C2_22 C1_22 C6_22 C5_22 -56.8(5) . . . . ?
P2 C1_22 C6_22 C5_22 -179.7(3) . . . . ?
C3 P1 C1_23 C2_23 -69.7(4) . . . . ?
C1_20 P1 C1_23 C2_23 44.2(4) . . . . ?
Ga1 P1 C1_23 C2_23 171.6(3) . . . . ?
C3 P1 C1_23 C6_23 57.2(4) . . . . ?
C1_20 P1 C1_23 C6_23 171.1(3) . . . . ?
Ga1 P1 C1_23 C6_23 -61.5(4) . . . . ?
C6_23 C1_23 C2_23 C3_23 56.4(5) . . . . ?
P1 C1_23 C2_23 C3_23 -176.0(3) . . . . ?
C1_23 C2_23 C3_23 C4_23 -57.2(6) . . . . ?
C2_23 C3_23 C4_23 C5_23 55.6(6) . . . . ?
C3_23 C4_23 C5_23 C6_23 -54.2(6) . . . . ?
C4_23 C5_23 C6_23 C1_23 53.7(6) . . . . ?
C2_23 C1_23 C6_23 C5_23 -54.6(5) . . . . ?
P1 C1_23 C6_23 C5_23 176.9(3) . . . . ?
C6 P4 C1_24 C2_24 -59.4(4) . . . . ?
C1_25 P4 C1_24 C2_24 55.2(4) . . . . ?
Ga2 P4 C1_24 C2_24 -170.8(3) . . . . ?
C6 P4 C1_24 C6_24 174.9(3) . . . . ?
C1_25 P4 C1_24 C6_24 -70.4(4) . . . . ?
Ga2 P4 C1_24 C6_24 63.5(3) . . . . ?
C6_24 C1_24 C2_24 C3_24 -55.5(5) . . . . ?
P4 C1_24 C2_24 C3_24 179.7(3) . . . . ?
C1_24 C2_24 C3_24 C4_24 55.5(5) . . . . ?
C2_24 C3_24 C4_24 C5_24 -56.2(6) . . . . ?
C3_24 C4_24 C5_24 C6_24 56.4(6) . . . . ?
C4_24 C5_24 C6_24 C1_24 -57.1(5) . . . . ?
C2_24 C1_24 C6_24 C5_24 57.0(5) . . . . ?
P4 C1_24 C6_24 C5_24 -174.9(3) . . . . ?
C6 P4 C1_25 C6_25 -98.0(4) . . . . ?
C1_24 P4 C1_25 C6_25 146.8(3) . . . . ?
Ga2 P4 C1_25 C6_25 18.4(4) . . . . ?
C6 P4 C1_25 C2_25 28.4(4) . . . . ?
C1_24 P4 C1_25 C2_25 -86.8(4) . . . . ?
Ga2 P4 C1_25 C2_25 144.8(3) . . . . ?
C6_25 C1_25 C2_25 C3_25 -57.1(5) . . . . ?
P4 C1_25 C2_25 C3_25 176.2(3) . . . . ?
C1_25 C2_25 C3_25 C4_25 57.5(6) . . . . ?
C2_25 C3_25 C4_25 C5_25 -56.8(6) . . . . ?
C3_25 C4_25 C5_25 C6_25 56.1(6) . . . . ?
C4_25 C5_25 C6_25 C1_25 -55.4(6) . . . . ?
C2_25 C1_25 C6_25 C5_25 55.7(5) . . . . ?
P4 C1_25 C6_25 C5_25 -176.4(4) . . . . ?
C5 P3 C1_26 C6_26 62.0(4) . . . . ?
C1_27 P3 C1_26 C6_26 -53.8(4) . . . . ?
Ga2 P3 C1_26 C6_26 174.3(3) . . . . ?
C5 P3 C1_26 C2_26 -171.6(3) . . . . ?
C1_27 P3 C1_26 C2_26 72.6(4) . . . . ?
Ga2 P3 C1_26 C2_26 -59.3(4) . . . . ?
C6_26 C1_26 C2_26 C3_26 -55.4(6) . . . . ?
P3 C1_26 C2_26 C3_26 177.0(4) . . . . ?
C1_26 C2_26 C3_26 C4_26 54.3(6) . . . . ?
C2_26 C3_26 C4_26 C5_26 -54.8(6) . . . . ?
C3_26 C4_26 C5_26 C6_26 56.0(6) . . . . ?
C2_26 C1_26 C6_26 C5_26 55.7(5) . . . . ?
P3 C1_26 C6_26 C5_26 -178.0(3) . . . . ?
C4_26 C5_26 C6_26 C1_26 -56.2(6) . . . . ?
C5 P3 C1_27 C6_27 105.8(4) . . . . ?
C1_26 P3 C1_27 C6_27 -140.9(4) . . . . ?
Ga2 P3 C1_27 C6_27 -10.1(4) . . . . ?
C5 P3 C1_27 C2_27 -23.3(4) . . . . ?
C1_26 P3 C1_27 C2_27 89.9(4) . . . . ?
Ga2 P3 C1_27 C2_27 -139.3(3) . . . . ?
C6_27 C1_27 C2_27 C3_27 57.9(5) . . . . ?
P3 C1_27 C2_27 C3_27 -170.6(4) . . . . ?
C1_27 C2_27 C3_27 C4_27 -55.3(6) . . . . ?
C2_27 C3_27 C4_27 C5_27 54.0(6) . . . . ?
C3_27 C4_27 C5_27 C6_27 -54.9(6) . . . . ?
C2_27 C1_27 C6_27 C5_27 -59.5(5) . . . . ?
P3 C1_27 C6_27 C5_27 169.0(4) . . . . ?
C4_27 C5_27 C6_27 C1_27 57.9(7) . . . . ?
O1_14 Al2 O1_18 C1_18 -120(6) . . . . ?
Al2 O1_18 C1_18 C4_18 -83(6) . . . . ?
Al2 O1_18 C1_18 C3_18 158(5) . . . . ?
Al2 O1_18 C1_18 C2_18 40(6) . . . . ?
O1_18 C1_18 C2_18 F3_18 43(2) . . . . ?
C4_18 C1_18 C2_18 F3_18 169.7(17) . . . . ?
C3_18 C1_18 C2_18 F3_18 -80.0(17) . . . . ?
O1_18 C1_18 C2_18 F2_18 160(2) . . . . ?
C4_18 C1_18 C2_18 F2_18 -73.8(19) . . . . ?
C3_18 C1_18 C2_18 F2_18 36.5(19) . . . . ?
O1_18 C1_18 C2_18 F1_18 -79(2) . . . . ?
C4_18 C1_18 C2_18 F1_18 47.7(18) . . . . ?
C3_18 C1_18 C2_18 F1_18 158.0(15) . . . . ?
O1_18 C1_18 C3_18 F6_18 165(2) . . . . ?
C4_18 C1_18 C3_18 F6_18 40.6(19) . . . . ?
C2_18 C1_18 C3_18 F6_18 -73.8(19) . . . . ?
O1_18 C1_18 C3_18 F4_18 44(2) . . . . ?
C4_18 C1_18 C3_18 F4_18 -80.3(18) . . . . ?
C2_18 C1_18 C3_18 F4_18 165.3(17) . . . . ?
O1_18 C1_18 C3_18 F5_18 -77(2) . . . . ?
C4_18 C1_18 C3_18 F5_18 158.3(16) . . . . ?
C2_18 C1_18 C3_18 F5_18 43.9(18) . . . . ?
O1_18 C1_18 C4_18 F7_18 -66(2) . . . . ?
C3_18 C1_18 C4_18 F7_18 58(2) . . . . ?
C2_18 C1_18 C4_18 F7_18 169.8(18) . . . . ?
O1_18 C1_18 C4_18 F9_18 55(2) . . . . ?
C3_18 C1_18 C4_18 F9_18 179.3(18) . . . . ?
C2_18 C1_18 C4_18 F9_18 -69.2(19) . . . . ?
O1_18 C1_18 C4_18 F8_18 174(2) . . . . ?
C3_18 C1_18 C4_18 F8_18 -61.9(18) . . . . ?
C2_18 C1_18 C4_18 F8_18 49.5(19) . . . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P212121_a
_database_code_depnum_ccdc_archive 'CCDC 2488258'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs university Freiburg
Germany
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C90 H102 Al2 F72 Ga2 O9 P4'
_chemical_formula_moiety         '2(C16 Al F36 O4), C58 H102 Ga2 O P4'
_chemical_formula_weight         3012.99
_chemical_melting_point          ?
_chemical_absolute_configuration ?
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.677(2)
_cell_length_b                   23.421(4)
_cell_length_c                   31.572(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11592(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9839
_cell_measurement_theta_min      2.5255
_cell_measurement_theta_max      26.575
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated oDFB solution of the compounds with n-pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_F_000             6040
_exptl_crystal_size_max          0.402
_exptl_crystal_size_mid          0.314
_exptl_crystal_size_min          0.198
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6901
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            553135
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_theta_min         1.450
_diffrn_reflns_theta_max         27.534
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             26698
_reflns_number_gt                24984
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.855
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS 8.5.5.6/2024-10-24 and APEX6 2024.9-1'
_computing_cell_refinement       'SAINT V8.41'
_computing_data_reduction        'SAINT V8.41'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0744P)²+15.3815P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         26698
_refine_ls_number_parameters     2379
_refine_ls_number_restraints     33678
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0487
_refine_ls_wR_factor_ref         0.1314
_refine_ls_wR_factor_gt          0.1271
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.181
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.017(9)
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.97281(3) 0.55105(2) 0.51814(2) 0.02261(10) Uani 1 1 d . . . . .
Ga2 Ga 1.04381(3) 0.59684(2) 0.57887(2) 0.02278(11) Uani 1 1 d . . . . .
P1 P 0.95776(8) 0.63899(5) 0.63663(4) 0.0249(2) Uani 1 1 d D . . . .
P2 P 1.13434(8) 0.55724(5) 0.63393(4) 0.0262(2) Uani 1 1 d D . . . .
P3 P 0.98349(7) 0.45369(5) 0.49323(4) 0.0236(2) Uani 1 1 d D . . . .
P4 P 1.02341(7) 0.57975(5) 0.44870(3) 0.0220(2) Uani 1 1 d D . . . .
Al1 Al 0.97218(9) 0.57440(5) 0.87526(4) 0.0214(2) Uani 1 1 d . . . . .
Al2 Al 0.48129(8) 0.82643(6) 0.78708(4) 0.0215(2) Uani 1 1 d . . . . .
O1 O 1.1154(2) 0.65697(15) 0.56430(11) 0.0297(7) Uani 1 1 d . . . . .
C1 C 1.0045(3) 0.6078(2) 0.68460(15) 0.0315(10) Uani 1 1 d . . . . .
H1A H 0.994161 0.633892 0.708726 0.038 Uiso 1 1 calc R U . . .
H1B H 0.975268 0.571269 0.690849 0.038 Uiso 1 1 calc R U . . .
C2 C 1.1011(4) 0.5967(3) 0.68079(17) 0.0395(12) Uani 1 1 d . . . . .
H2A H 1.120004 0.575337 0.706176 0.047 Uiso 1 1 calc R U . . .
H2B H 1.130986 0.633943 0.680941 0.047 Uiso 1 1 calc R U . . .
C3 C 0.9786(3) 0.46533(19) 0.43575(15) 0.0274(9) Uani 1 1 d . . . . .
H3A H 0.991904 0.429115 0.420983 0.033 Uiso 1 1 calc R U . . .
H3B H 0.919925 0.476726 0.427800 0.033 Uiso 1 1 calc R U . . .
C4 C 1.0417(3) 0.51186(19) 0.42113(15) 0.0276(9) Uani 1 1 d . . . . .
H4A H 1.035379 0.517788 0.390241 0.033 Uiso 1 1 calc R U . . .
H4B H 1.100737 0.498842 0.426593 0.033 Uiso 1 1 calc R U . . .
O1_3 O 1.0687(3) 0.5737(3) 0.85144(19) 0.0375(12) Uani 0.734(5) 1 d D U P A 1
C1_3 C 1.1418(5) 0.5466(3) 0.8429(2) 0.0293(13) Uani 0.734(5) 1 d D U P A 1
C2_3 C 1.1908(5) 0.5843(3) 0.8106(3) 0.0430(15) Uani 0.734(5) 1 d D U P A 1
F1_3 F 1.1384(4) 0.6039(3) 0.78114(17) 0.0678(17) Uani 0.734(5) 1 d D U P A 1
F2_3 F 1.2539(5) 0.5561(3) 0.7919(3) 0.097(3) Uani 0.734(5) 1 d D U P A 1
F3_3 F 1.2266(4) 0.6284(2) 0.8293(2) 0.0697(18) Uani 0.734(5) 1 d D U P A 1
C3_3 C 1.1934(6) 0.5411(4) 0.8847(3) 0.0570(19) Uani 0.734(5) 1 d D U P A 1
F4_3 F 1.1650(5) 0.4978(3) 0.9083(2) 0.083(2) Uani 0.734(5) 1 d D U P A 1
F5_3 F 1.1872(7) 0.5878(3) 0.9070(2) 0.107(3) Uani 0.734(5) 1 d D U P A 1
F6_3 F 1.2761(4) 0.5300(4) 0.8777(3) 0.102(3) Uani 0.734(5) 1 d D U P A 1
C4_3 C 1.1267(7) 0.4866(4) 0.8241(4) 0.068(2) Uani 0.734(5) 1 d D U P A 1
F7_3 F 1.0660(5) 0.4608(3) 0.8464(3) 0.095(3) Uani 0.734(5) 1 d D U P A 1
F8_3 F 1.1966(5) 0.4546(3) 0.8252(3) 0.098(3) Uani 0.734(5) 1 d D U P A 1
F9_3 F 1.1020(7) 0.4909(4) 0.7840(3) 0.109(3) Uani 0.734(5) 1 d D U P A 1
O1_4 O 0.9477(3) 0.64498(15) 0.88332(13) 0.0434(10) Uani 1 1 d D U . B 1
C1_4 C 0.9652(3) 0.69605(18) 0.90052(15) 0.0303(9) Uani 1 1 d D U . B 1
C2_4 C 0.8841(4) 0.7332(3) 0.8948(2) 0.0444(13) Uani 1 1 d D U . B 1
F1_4 F 0.8754(2) 0.75116(15) 0.85507(13) 0.0513(9) Uani 1 1 d D U . B 1
F2_4 F 0.8875(3) 0.7807(2) 0.91901(17) 0.0739(14) Uani 1 1 d D U . B 1
F3_4 F 0.8142(2) 0.7051(2) 0.90449(15) 0.0635(11) Uani 1 1 d D U . B 1
C3_4 C 0.9868(4) 0.6905(2) 0.94813(17) 0.0401(12) Uani 1 1 d D U . B 1
F4_4 F 1.0420(2) 0.64824(16) 0.95453(12) 0.0508(9) Uani 1 1 d D U . B 1
F5_4 F 0.9177(3) 0.6807(2) 0.97086(12) 0.0661(12) Uani 1 1 d D U . B 1
F6_4 F 1.0227(3) 0.73779(18) 0.96390(13) 0.0635(11) Uani 1 1 d D U . B 1
C4_4 C 1.0408(4) 0.7246(2) 0.8769(2) 0.0446(13) Uani 1 1 d D U . B 1
F7_4 F 1.1142(2) 0.70224(18) 0.88874(14) 0.0567(10) Uani 1 1 d D U . B 1
F8_4 F 1.0446(3) 0.78081(16) 0.88345(17) 0.0681(12) Uani 1 1 d D U . B 1
F9_4 F 1.0333(3) 0.7165(2) 0.83541(13) 0.0687(12) Uani 1 1 d D U . B 1
O1_5 O 0.8943(3) 0.54721(18) 0.84228(14) 0.0504(11) Uani 1 1 d D U . C 1
C1_5 C 0.8430(3) 0.5547(2) 0.80885(15) 0.0330(10) Uani 1 1 d D U . C 1
C2_5 C 0.7497(5) 0.5525(3) 0.8255(2) 0.0622(18) Uani 1 1 d D U . C 1
F1_5 F 0.7289(3) 0.4984(2) 0.83524(18) 0.0834(16) Uani 1 1 d D U . C 1
F2_5 F 0.6951(3) 0.5704(3) 0.7961(2) 0.0903(19) Uani 1 1 d D U . C 1
F3_5 F 0.7402(4) 0.5847(2) 0.85955(18) 0.0952(19) Uani 1 1 d D U . C 1
C3_5 C 0.8572(3) 0.6126(2) 0.78631(16) 0.0358(11) Uani 1 1 d D U . C 1
F4_5 F 0.9401(2) 0.62440(17) 0.78376(12) 0.0490(9) Uani 1 1 d D U . C 1
F5_5 F 0.8214(3) 0.65543(15) 0.80700(12) 0.0490(8) Uani 1 1 d D U . C 1
F6_5 F 0.8265(3) 0.61335(17) 0.74689(10) 0.0489(9) Uani 1 1 d D U . C 1
C4_5 C 0.8589(5) 0.5051(3) 0.7768(2) 0.0515(15) Uani 1 1 d D U . C 1
F7_5 F 0.9303(4) 0.5143(2) 0.75522(17) 0.0773(14) Uani 1 1 d D U . C 1
F8_5 F 0.7944(4) 0.5000(2) 0.74916(15) 0.0793(16) Uani 1 1 d D U . C 1
F9_5 F 0.8670(4) 0.45575(17) 0.79690(15) 0.0692(13) Uani 1 1 d D U . C 1
O1_6 O 0.9744(4) 0.5348(2) 0.92074(18) 0.0282(12) Uani 0.799(5) 1 d D U P A 1
C1_6 C 0.9328(4) 0.4999(3) 0.9478(2) 0.0312(12) Uani 0.799(5) 1 d D U P A 1
C2_6 C 0.9766(6) 0.5021(5) 0.9908(3) 0.071(2) Uani 0.799(5) 1 d D U P A 1
F1_6 F 1.0625(4) 0.5012(4) 0.9860(2) 0.103(3) Uani 0.799(5) 1 d D U P A 1
F2_6 F 0.9548(4) 0.4591(4) 1.01674(19) 0.083(2) Uani 0.799(5) 1 d D U P A 1
F3_6 F 0.9594(7) 0.5496(4) 1.00983(18) 0.107(3) Uani 0.799(5) 1 d D U P A 1
C3_6 C 0.8384(5) 0.5184(3) 0.9529(2) 0.0419(14) Uani 0.799(5) 1 d D U P A 1
F4_6 F 0.7913(3) 0.4992(2) 0.92063(19) 0.0500(11) Uani 0.799(5) 1 d D U P A 1
F5_6 F 0.8314(4) 0.5746(2) 0.9532(2) 0.0703(17) Uani 0.799(5) 1 d D U P A 1
F6_6 F 0.8025(3) 0.4995(3) 0.98862(18) 0.0683(16) Uani 0.799(5) 1 d D U P A 1
C4_6 C 0.9344(5) 0.4367(3) 0.9295(3) 0.0511(17) Uani 0.799(5) 1 d D U P A 1
F7_6 F 0.9165(4) 0.4363(2) 0.88885(18) 0.0579(13) Uani 0.799(5) 1 d D U P A 1
F8_6 F 0.8753(4) 0.4048(2) 0.9498(2) 0.0680(16) Uani 0.799(5) 1 d D U P A 1
F9_6 F 1.0100(4) 0.4138(3) 0.9372(3) 0.090(2) Uani 0.799(5) 1 d D U P A 1
O1_7 O 0.5553(6) 0.7853(4) 0.7636(3) 0.033(2) Uani 0.521(5) 1 d D U P D 1
C1_7 C 0.5774(7) 0.7483(5) 0.7325(3) 0.0391(19) Uani 0.521(5) 1 d D U P D 1
C2_7 C 0.5669(9) 0.6860(6) 0.7469(5) 0.067(3) Uani 0.521(5) 1 d D U P D 1
F1_7 F 0.6296(8) 0.6726(5) 0.7747(4) 0.100(4) Uani 0.521(5) 1 d D U P D 1
F2_7 F 0.5704(10) 0.6511(5) 0.7121(5) 0.104(4) Uani 0.521(5) 1 d D U P D 1
F3_7 F 0.4918(7) 0.6788(4) 0.7651(4) 0.083(3) Uani 0.521(5) 1 d D U P D 1
C3_7 C 0.5211(7) 0.7592(5) 0.6923(4) 0.050(2) Uani 0.521(5) 1 d D U P D 1
F4_7 F 0.5109(6) 0.8160(4) 0.6871(2) 0.061(2) Uani 0.521(5) 1 d D U P D 1
F5_7 F 0.4451(4) 0.7336(4) 0.6977(3) 0.068(2) Uani 0.521(5) 1 d D U P D 1
F6_7 F 0.5584(6) 0.7400(5) 0.6571(2) 0.072(3) Uani 0.521(5) 1 d D U P D 1
C4_7 C 0.6731(7) 0.7590(6) 0.7220(4) 0.060(2) Uani 0.521(5) 1 d D U P D 1
F7_7 F 0.6791(8) 0.8084(6) 0.7003(5) 0.085(4) Uani 0.521(5) 1 d D U P D 1
F8_7 F 0.7053(6) 0.7142(6) 0.7006(4) 0.103(4) Uani 0.521(5) 1 d D U P D 1
F9_7 F 0.7196(6) 0.7658(5) 0.7562(3) 0.062(2) Uani 0.521(5) 1 d D U P D 1
O1_8 O 0.4913(5) 0.8905(3) 0.7609(2) 0.0547(19) Uani 0.749(5) 1 d D U P D 1
C1_8 C 0.5147(5) 0.9458(3) 0.7589(3) 0.0391(13) Uani 0.749(5) 1 d D U P D 1
C2_8 C 0.5101(5) 0.9643(4) 0.7117(3) 0.0518(16) Uani 0.749(5) 1 d D U P D 1
F1_8 F 0.5784(6) 0.9418(4) 0.6921(3) 0.096(3) Uani 0.749(5) 1 d D U P D 1
F2_8 F 0.5190(5) 1.0203(3) 0.7064(2) 0.085(2) Uani 0.749(5) 1 d D U P D 1
F3_8 F 0.4357(4) 0.9528(3) 0.69562(18) 0.0654(16) Uani 0.749(5) 1 d D U P D 1
C3_8 C 0.4564(7) 0.9853(5) 0.7870(4) 0.072(2) Uani 0.749(5) 1 d D U P D 1
F4_8 F 0.4435(6) 0.9638(4) 0.8247(2) 0.086(2) Uani 0.749(5) 1 d D U P D 1
F5_8 F 0.3829(5) 0.9973(5) 0.7677(3) 0.119(3) Uani 0.749(5) 1 d D U P D 1
F6_8 F 0.4967(7) 1.0356(4) 0.7974(4) 0.124(3) Uani 0.749(5) 1 d D U P D 1
C4_8 C 0.6075(5) 0.9544(4) 0.7751(3) 0.0540(16) Uani 0.749(5) 1 d D U P D 1
F7_8 F 0.6106(4) 0.9489(3) 0.8177(2) 0.0822(19) Uani 0.749(5) 1 d D U P D 1
F8_8 F 0.6373(5) 1.0049(3) 0.7667(3) 0.095(3) Uani 0.749(5) 1 d D U P D 1
F9_8 F 0.6548(4) 0.9101(4) 0.7636(3) 0.089(2) Uani 0.749(5) 1 d D U P D 1
O1_9 O 0.5020(10) 0.8263(8) 0.8397(4) 0.049(4) Uani 0.571(6) 1 d D U P D 1
C1_9 C 0.5381(6) 0.8124(5) 0.8758(3) 0.0437(19) Uani 0.571(6) 1 d D U P D 1
C2_9 C 0.5241(8) 0.8537(6) 0.9120(3) 0.068(2) Uani 0.571(6) 1 d D U P D 1
F1_9 F 0.5763(6) 0.8979(5) 0.9103(4) 0.094(3) Uani 0.571(6) 1 d D U P D 1
F2_9 F 0.5397(7) 0.8275(7) 0.9500(2) 0.118(4) Uani 0.571(6) 1 d D U P D 1
F3_9 F 0.4445(7) 0.8731(7) 0.9141(4) 0.097(4) Uani 0.571(6) 1 d D U P D 1
C3_9 C 0.4953(9) 0.7532(6) 0.8873(5) 0.075(3) Uani 0.571(6) 1 d D U P D 1
F4_9 F 0.4835(8) 0.7227(5) 0.8524(4) 0.080(3) Uani 0.571(6) 1 d D U P D 1
F5_9 F 0.4207(6) 0.7610(5) 0.9068(4) 0.093(3) Uani 0.571(6) 1 d D U P D 1
F6_9 F 0.5444(7) 0.7225(6) 0.9124(4) 0.118(4) Uani 0.571(6) 1 d D U P D 1
C4_9 C 0.6349(6) 0.8000(5) 0.8700(3) 0.056(2) Uani 0.571(6) 1 d D U P D 1
F7_9 F 0.6485(5) 0.7524(4) 0.8474(3) 0.074(2) Uani 0.571(6) 1 d D U P D 1
F8_9 F 0.6787(5) 0.7972(5) 0.9055(3) 0.078(3) Uani 0.571(6) 1 d D U P D 1
F9_9 F 0.6708(5) 0.8408(5) 0.8470(3) 0.087(3) Uani 0.571(6) 1 d D U P D 1
O1_10 O 0.3818(5) 0.8002(4) 0.7759(3) 0.0321(18) Uani 0.583(5) 1 d D U P D 1
C1_10 C 0.2954(6) 0.8007(4) 0.7792(3) 0.0301(16) Uani 0.583(5) 1 d D U P D 1
C2_10 C 0.2584(6) 0.8592(4) 0.7647(3) 0.0448(18) Uani 0.583(5) 1 d D U P D 1
F1_10 F 0.2754(6) 0.8989(3) 0.7941(2) 0.0649(19) Uani 0.583(5) 1 d D U P D 1
F2_10 F 0.1758(4) 0.8570(4) 0.7573(3) 0.073(2) Uani 0.583(5) 1 d D U P D 1
F3_10 F 0.2951(6) 0.8764(3) 0.7290(3) 0.053(2) Uani 0.583(5) 1 d D U P D 1
C3_10 C 0.2569(6) 0.7543(4) 0.7502(3) 0.0459(18) Uani 0.583(5) 1 d D U P D 1
F4_10 F 0.2982(6) 0.7049(3) 0.7551(3) 0.0581(19) Uani 0.583(5) 1 d D U P D 1
F5_10 F 0.2644(8) 0.7663(5) 0.7099(3) 0.071(3) Uani 0.583(5) 1 d D U P D 1
F6_10 F 0.1746(4) 0.7442(4) 0.7589(3) 0.076(2) Uani 0.583(5) 1 d D U P D 1
C4_10 C 0.2690(7) 0.7905(5) 0.8260(3) 0.053(2) Uani 0.583(5) 1 d D U P D 1
F7_10 F 0.2778(6) 0.7375(4) 0.8369(3) 0.076(2) Uani 0.583(5) 1 d D U P D 1
F8_10 F 0.1886(5) 0.8057(4) 0.8331(2) 0.0634(19) Uani 0.583(5) 1 d D U P D 1
F9_10 F 0.3126(4) 0.8231(3) 0.8522(2) 0.0562(17) Uani 0.583(5) 1 d D U P D 1
C1_11 C 1.0897(4) 0.7039(2) 0.54289(15) 0.0341(11) Uani 1 1 d D U . E 1
C2_11 C 1.1536(5) 0.7420(2) 0.52914(17) 0.0481(15) Uani 1 1 d D U . E 1
H2_11 H 1.211767 0.734647 0.535594 0.058 Uiso 1 1 calc R U . E 1
C3_11 C 1.1314(6) 0.7898(3) 0.5063(2) 0.0626(19) Uani 1 1 d D U . E 1
H3_11 H 1.175068 0.814702 0.496649 0.075 Uiso 1 1 calc R U . E 1
C4_11 C 1.0491(6) 0.8022(2) 0.4974(2) 0.068(2) Uani 1 1 d D U . E 1
H4_11 H 1.035164 0.835167 0.481261 0.082 Uiso 1 1 calc R U . E 1
C5_11 C 0.9851(5) 0.7659(2) 0.5120(2) 0.0584(18) Uani 1 1 d D U . E 1
H5_11 H 0.927053 0.775092 0.506748 0.070 Uiso 1 1 calc R U . E 1
C6_11 C 1.0051(4) 0.7163(2) 0.53441(17) 0.0435(13) Uani 1 1 d D U . E 1
H6_11 H 0.961200 0.691344 0.543717 0.052 Uiso 1 1 calc R U . E 1
C1_2 C 0.8435(3) 0.6193(2) 0.63756(16) 0.0298(9) Uani 1 1 d D U . F 1
H1_2 H 0.818861 0.632954 0.664971 0.036 Uiso 1 1 calc R U . F 1
C2_2 C 0.8313(3) 0.5546(2) 0.63542(19) 0.0378(11) Uani 1 1 d D U . F 1
H2A_2 H 0.860093 0.536521 0.659873 0.045 Uiso 1 1 calc R U . F 1
H2B_2 H 0.857864 0.539766 0.609199 0.045 Uiso 1 1 calc R U . F 1
C3_2 C 0.7364(4) 0.5389(3) 0.6359(2) 0.0498(14) Uani 1 1 d D U . F 1
H3A_2 H 0.730343 0.496991 0.632799 0.060 Uiso 1 1 calc R U . F 1
H3B_2 H 0.711310 0.549977 0.663449 0.060 Uiso 1 1 calc R U . F 1
C4_2 C 0.6886(4) 0.5683(3) 0.6005(2) 0.0543(16) Uani 1 1 d D U . F 1
H4A_2 H 0.627104 0.559234 0.602836 0.065 Uiso 1 1 calc R U . F 1
H4B_2 H 0.709244 0.553803 0.572936 0.065 Uiso 1 1 calc R U . F 1
C5_2 C 0.7008(4) 0.6334(3) 0.6023(2) 0.0487(14) Uani 1 1 d D U . F 1
H5A_2 H 0.671551 0.651235 0.577887 0.058 Uiso 1 1 calc R U . F 1
H5B_2 H 0.674688 0.648475 0.628571 0.058 Uiso 1 1 calc R U . F 1
C6_2 C 0.7948(3) 0.6489(3) 0.60134(17) 0.0381(11) Uani 1 1 d D U . F 1
H6A_2 H 0.801161 0.690815 0.604058 0.046 Uiso 1 1 calc R U . F 1
H6B_2 H 0.819648 0.637271 0.573833 0.046 Uiso 1 1 calc R U . F 1
C1_12 C 0.9645(3) 0.71723(19) 0.64398(15) 0.0282(9) Uani 1 1 d D U . G 1
H1_12 H 0.945205 0.735219 0.616892 0.034 Uiso 1 1 calc R U . G 1
C2_12 C 1.0562(3) 0.7373(2) 0.65190(16) 0.0307(10) Uani 1 1 d D U . G 1
H2A_12 H 1.077414 0.720713 0.678730 0.037 Uiso 1 1 calc R U . G 1
H2B_12 H 1.093423 0.723839 0.628641 0.037 Uiso 1 1 calc R U . G 1
C3_12 C 1.0598(4) 0.8021(2) 0.65441(19) 0.0397(12) Uani 1 1 d D U . G 1
H3A_12 H 1.041603 0.818595 0.626996 0.048 Uiso 1 1 calc R U . G 1
H3B_12 H 1.119237 0.814319 0.659860 0.048 Uiso 1 1 calc R U . G 1
C4_12 C 1.0020(3) 0.8242(2) 0.68965(19) 0.0383(12) Uani 1 1 d D U . G 1
H4A_12 H 1.022845 0.810109 0.717339 0.046 Uiso 1 1 calc R U . G 1
H4B_12 H 1.003808 0.866475 0.690148 0.046 Uiso 1 1 calc R U . G 1
C5_12 C 0.9105(4) 0.8043(2) 0.6828(2) 0.0411(12) Uani 1 1 d D U . G 1
H5A_12 H 0.887692 0.821942 0.656604 0.049 Uiso 1 1 calc R U . G 1
H5B_12 H 0.874700 0.817192 0.706798 0.049 Uiso 1 1 calc R U . G 1
C6_12 C 0.9053(3) 0.7393(2) 0.67906(18) 0.0374(12) Uani 1 1 d D U . G 1
H6A_12 H 0.845815 0.727944 0.672706 0.045 Uiso 1 1 calc R U . G 1
H6B_12 H 0.921674 0.721740 0.706399 0.045 Uiso 1 1 calc R U . G 1
C1_13 C 1.2493(3) 0.5677(2) 0.63076(18) 0.0378(11) Uani 1 1 d D U . H 1
H1_13 H 1.275255 0.546419 0.655022 0.045 Uiso 1 1 calc R U . H 1
C2_13 C 1.2790(4) 0.6293(3) 0.6342(3) 0.0523(16) Uani 1 1 d D U . H 1
H2A_13 H 1.258356 0.645805 0.661190 0.063 Uiso 1 1 calc R U . H 1
H2B_13 H 1.254284 0.651819 0.610693 0.063 Uiso 1 1 calc R U . H 1
C3_13 C 1.3758(4) 0.6334(3) 0.6326(2) 0.0541(16) Uani 1 1 d D U . H 1
H3A_13 H 1.393063 0.674045 0.633950 0.065 Uiso 1 1 calc R U . H 1
H3B_13 H 1.400434 0.613596 0.657404 0.065 Uiso 1 1 calc R U . H 1
C4_13 C 1.4105(4) 0.6071(3) 0.5925(2) 0.0586(17) Uani 1 1 d D U . H 1
H4A_13 H 1.473568 0.608458 0.592972 0.070 Uiso 1 1 calc R U . H 1
H4B_13 H 1.390490 0.629250 0.567722 0.070 Uiso 1 1 calc R U . H 1
C5_13 C 1.3811(5) 0.5454(4) 0.5884(4) 0.083(3) Uani 1 1 d D U . H 1
H5A_13 H 1.401564 0.529481 0.561159 0.100 Uiso 1 1 calc R U . H 1
H5B_13 H 1.406115 0.522379 0.611579 0.100 Uiso 1 1 calc R U . H 1
C6_13 C 1.2845(4) 0.5412(4) 0.5902(3) 0.067(2) Uani 1 1 d D U . H 1
H6A_13 H 1.267287 0.500558 0.588779 0.080 Uiso 1 1 calc R U . H 1
H6B_13 H 1.259680 0.561038 0.565408 0.080 Uiso 1 1 calc R U . H 1
C1_14 C 1.1194(3) 0.4808(2) 0.64425(15) 0.0300(10) Uani 1 1 d D U . I 1
H1_14 H 1.146445 0.459718 0.620198 0.036 Uiso 1 1 calc R U . I 1
C2_14 C 1.0248(4) 0.4645(2) 0.6445(2) 0.0486(15) Uani 1 1 d D U . I 1
H2A_14 H 0.998365 0.476183 0.617329 0.058 Uiso 1 1 calc R U . I 1
H2B_14 H 0.995383 0.485229 0.667607 0.058 Uiso 1 1 calc R U . I 1
C3_14 C 1.0132(5) 0.3998(2) 0.6507(2) 0.0535(16) Uani 1 1 d D U . I 1
H3A_14 H 0.951597 0.390517 0.651400 0.064 Uiso 1 1 calc R U . I 1
H3B_14 H 1.039093 0.379166 0.626551 0.064 Uiso 1 1 calc R U . I 1
C4_14 C 1.0545(4) 0.3803(2) 0.69150(18) 0.0419(12) Uani 1 1 d D U . I 1
H4A_14 H 1.025398 0.398309 0.715893 0.050 Uiso 1 1 calc R U . I 1
H4B_14 H 1.048692 0.338350 0.694291 0.050 Uiso 1 1 calc R U . I 1
C5_14 C 1.1472(5) 0.3962(4) 0.6918(3) 0.077(3) Uani 1 1 d D U . I 1
H5A_14 H 1.177209 0.374409 0.669425 0.093 Uiso 1 1 calc R U . I 1
H5B_14 H 1.172386 0.385361 0.719394 0.093 Uiso 1 1 calc R U . I 1
C6_14 C 1.1614(5) 0.4598(4) 0.6845(3) 0.075(3) Uani 1 1 d D U . I 1
H6A_14 H 1.138258 0.481333 0.708851 0.089 Uiso 1 1 calc R U . I 1
H6B_14 H 1.223427 0.467391 0.682896 0.089 Uiso 1 1 calc R U . I 1
O1_15 O 0.5280(6) 0.7690(4) 0.7606(3) 0.033(2) Uani 0.479(5) 1 d D U P D 2
C1_15 C 0.5966(7) 0.7460(5) 0.7418(3) 0.0359(19) Uani 0.479(5) 1 d D U P D 2
C2_15 C 0.6149(7) 0.7748(5) 0.6985(3) 0.044(2) Uani 0.479(5) 1 d D U P D 2
F1_15 F 0.5427(6) 0.7830(4) 0.6773(2) 0.055(2) Uani 0.479(5) 1 d D U P D 2
F2_15 F 0.6523(7) 0.8249(4) 0.7021(4) 0.047(2) Uani 0.479(5) 1 d D U P D 2
F3_15 F 0.6683(6) 0.7429(4) 0.6749(3) 0.057(2) Uani 0.479(5) 1 d D U P D 2
C3_15 C 0.6772(8) 0.7540(5) 0.7714(4) 0.043(2) Uani 0.479(5) 1 d D U P D 2
F4_15 F 0.6725(5) 0.7196(4) 0.8047(3) 0.055(2) Uani 0.479(5) 1 d D U P D 2
F5_15 F 0.6795(5) 0.8075(3) 0.7856(3) 0.0518(19) Uani 0.479(5) 1 d D U P D 2
F6_15 F 0.7500(6) 0.7447(5) 0.7509(3) 0.058(2) Uani 0.479(5) 1 d D U P D 2
C4_15 C 0.5825(8) 0.6818(5) 0.7350(4) 0.045(2) Uani 0.479(5) 1 d D U P D 2
F7_15 F 0.6546(6) 0.6530(4) 0.7272(3) 0.064(2) Uani 0.479(5) 1 d D U P D 2
F8_15 F 0.5464(6) 0.6573(4) 0.7686(3) 0.063(2) Uani 0.479(5) 1 d D U P D 2
F9_15 F 0.5299(7) 0.6731(4) 0.7022(3) 0.065(2) Uani 0.479(5) 1 d D U P D 2
O1_16 O 0.3747(7) 0.8135(6) 0.7896(4) 0.035(3) Uani 0.417(5) 1 d D U P D 2
C1_16 C 0.3051(9) 0.7907(6) 0.7716(4) 0.046(2) Uani 0.417(5) 1 d D U P D 2
C2_16 C 0.2265(8) 0.8050(7) 0.7985(5) 0.069(3) Uani 0.417(5) 1 d D U P D 2
F1_16 F 0.2243(8) 0.7674(8) 0.8317(4) 0.102(5) Uani 0.417(5) 1 d D U P D 2
F2_16 F 0.1537(6) 0.7991(8) 0.7764(4) 0.103(5) Uani 0.417(5) 1 d D U P D 2
F3_16 F 0.2271(9) 0.8604(6) 0.8080(4) 0.089(3) Uani 0.417(5) 1 d D U P D 2
C3_16 C 0.2947(8) 0.8149(7) 0.7257(4) 0.056(3) Uani 0.417(5) 1 d D U P D 2
F4_16 F 0.3700(6) 0.8105(6) 0.7064(3) 0.063(3) Uani 0.417(5) 1 d D U P D 2
F5_16 F 0.2577(11) 0.8662(7) 0.7283(6) 0.090(5) Uani 0.417(5) 1 d D U P D 2
F6_16 F 0.2429(11) 0.7832(9) 0.7023(5) 0.094(5) Uani 0.417(5) 1 d D U P D 2
C4_16 C 0.3142(12) 0.7242(7) 0.7680(6) 0.080(4) Uani 0.417(5) 1 d D U P D 2
F7_16 F 0.3621(8) 0.7099(5) 0.7348(4) 0.080(3) Uani 0.417(5) 1 d D U P D 2
F8_16 F 0.2385(12) 0.6993(8) 0.7594(6) 0.122(6) Uani 0.417(5) 1 d D U P D 2
F9_16 F 0.3443(11) 0.7047(7) 0.8052(5) 0.121(5) Uani 0.417(5) 1 d D U P D 2
O1_17 O 0.5186(13) 0.8374(8) 0.8380(5) 0.030(3) Uani 0.429(6) 1 d D U P D 2
C1_17 C 0.5163(8) 0.8256(6) 0.8789(4) 0.045(2) Uani 0.429(6) 1 d D U P D 2
C2_17 C 0.4771(11) 0.7663(7) 0.8884(6) 0.074(3) Uani 0.429(6) 1 d D U P D 2
F1_17 F 0.3919(8) 0.7670(7) 0.8848(4) 0.087(4) Uani 0.429(6) 1 d D U P D 2
F2_17 F 0.4987(12) 0.7498(7) 0.9285(4) 0.105(4) Uani 0.429(6) 1 d D U P D 2
F3_17 F 0.5165(17) 0.7279(9) 0.8636(7) 0.137(7) Uani 0.429(6) 1 d D U P D 2
C3_17 C 0.6043(9) 0.8292(8) 0.8991(4) 0.080(3) Uani 0.429(6) 1 d D U P D 2
F4_17 F 0.6458(8) 0.8751(7) 0.8829(4) 0.098(4) Uani 0.429(6) 1 d D U P D 2
F5_17 F 0.6460(11) 0.7795(8) 0.8903(5) 0.116(5) Uani 0.429(6) 1 d D U P D 2
F6_17 F 0.5963(10) 0.8409(9) 0.9410(3) 0.122(5) Uani 0.429(6) 1 d D U P D 2
C4_17 C 0.4551(10) 0.8719(7) 0.9002(5) 0.063(3) Uani 0.429(6) 1 d D U P D 2
F7_17 F 0.4966(10) 0.9212(5) 0.8986(5) 0.096(4) Uani 0.429(6) 1 d D U P D 2
F8_17 F 0.4286(8) 0.8520(7) 0.9379(4) 0.088(4) Uani 0.429(6) 1 d D U P D 2
F9_17 F 0.3838(7) 0.8757(6) 0.8763(3) 0.076(3) Uani 0.429(6) 1 d D U P D 2
O1_18 O 1.0842(9) 0.5554(7) 0.8676(5) 0.034(3) Uani 0.266(5) 1 d D U P A 2
C1_18 C 1.1518(11) 0.5450(7) 0.8425(5) 0.028(3) Uani 0.266(5) 1 d D U P A 2
C2_18 C 1.1487(11) 0.5845(7) 0.8028(5) 0.043(3) Uani 0.266(5) 1 d D U P A 2
F1_18 F 1.0927(9) 0.5636(8) 0.7752(4) 0.058(3) Uani 0.266(5) 1 d D U P A 2
F2_18 F 1.2228(9) 0.5873(8) 0.7835(5) 0.057(4) Uani 0.266(5) 1 d D U P A 2
F3_18 F 1.1214(11) 0.6355(6) 0.8136(5) 0.062(4) Uani 0.266(5) 1 d D U P A 2
C3_18 C 1.2335(10) 0.5583(7) 0.8691(5) 0.039(3) Uani 0.266(5) 1 d D U P A 2
F4_18 F 1.2290(10) 0.5328(7) 0.9062(4) 0.056(4) Uani 0.266(5) 1 d D U P A 2
F5_18 F 1.2408(9) 0.6140(5) 0.8750(6) 0.058(4) Uani 0.266(5) 1 d D U P A 2
F6_18 F 1.3034(8) 0.5395(7) 0.8495(5) 0.051(3) Uani 0.266(5) 1 d D U P A 2
C4_18 C 1.1549(11) 0.4820(7) 0.8271(5) 0.039(3) Uani 0.266(5) 1 d D U P A 2
F7_18 F 1.1808(10) 0.4474(6) 0.8576(5) 0.060(4) Uani 0.266(5) 1 d D U P A 2
F8_18 F 1.2048(11) 0.4742(6) 0.7943(5) 0.060(4) Uani 0.266(5) 1 d D U P A 2
F9_18 F 1.0775(10) 0.4672(7) 0.8134(7) 0.065(4) Uani 0.266(5) 1 d D U P A 2
O1_19 O 0.5104(14) 0.8927(8) 0.7746(8) 0.054(4) Uani 0.251(5) 1 d D U P D 2
C1_19 C 0.5133(11) 0.9425(8) 0.7540(6) 0.046(3) Uani 0.251(5) 1 d D U P D 2
C2_19 C 0.4737(15) 0.9425(10) 0.7092(6) 0.074(4) Uani 0.251(5) 1 d D U P D 2
F1_19 F 0.4017(17) 0.9139(14) 0.7101(9) 0.139(8) Uani 0.251(5) 1 d D U P D 2
F2_19 F 0.4670(15) 0.9924(9) 0.6910(6) 0.086(5) Uani 0.251(5) 1 d D U P D 2
F3_19 F 0.5289(19) 0.9190(10) 0.6805(7) 0.100(5) Uani 0.251(5) 1 d D U P D 2
C3_19 C 0.4457(12) 0.9748(8) 0.7822(7) 0.056(3) Uani 0.251(5) 1 d D U P D 2
F4_19 F 0.4838(17) 0.9780(13) 0.8201(7) 0.088(6) Uani 0.251(5) 1 d D U P D 2
F5_19 F 0.3728(8) 0.9483(7) 0.7803(7) 0.064(4) Uani 0.251(5) 1 d D U P D 2
F6_19 F 0.4383(11) 1.0285(5) 0.7697(5) 0.055(3) Uani 0.251(5) 1 d D U P D 2
C4_19 C 0.5971(12) 0.9757(9) 0.7557(8) 0.074(4) Uani 0.251(5) 1 d D U P D 2
F7_19 F 0.6226(17) 0.9900(13) 0.7952(8) 0.110(6) Uani 0.251(5) 1 d D U P D 2
F8_19 F 0.5788(18) 1.0299(8) 0.7428(11) 0.121(7) Uani 0.251(5) 1 d D U P D 2
F9_19 F 0.6621(10) 0.9473(8) 0.7395(7) 0.079(4) Uani 0.251(5) 1 d D U P D 2
O1_21 O 0.9450(12) 0.5436(9) 0.9232(8) 0.025(4) Uani 0.201(5) 1 d D U P A 2
C1_21 C 0.9386(12) 0.4963(9) 0.9470(6) 0.040(3) Uani 0.201(5) 1 d D U P A 2
C2_21 C 0.9367(14) 0.4415(9) 0.9179(7) 0.050(4) Uani 0.201(5) 1 d D U P A 2
F1_21 F 0.8584(16) 0.4429(13) 0.9009(10) 0.092(7) Uani 0.201(5) 1 d D U P A 2
F2_21 F 0.938(2) 0.3928(9) 0.9392(8) 0.084(6) Uani 0.201(5) 1 d D U P A 2
F3_21 F 1.0081(15) 0.4410(8) 0.8955(9) 0.081(6) Uani 0.201(5) 1 d D U P A 2
C3_21 C 1.0161(14) 0.4934(9) 0.9774(7) 0.052(4) Uani 0.201(5) 1 d D U P A 2
F4_21 F 1.027(2) 0.5425(7) 0.9990(7) 0.071(6) Uani 0.201(5) 1 d D U P A 2
F5_21 F 1.0854(12) 0.4841(13) 0.9533(7) 0.082(6) Uani 0.201(5) 1 d D U P A 2
F6_21 F 1.005(2) 0.4487(9) 1.0033(8) 0.081(6) Uani 0.201(5) 1 d D U P A 2
C4_21 C 0.8536(13) 0.4982(9) 0.9720(7) 0.058(4) Uani 0.201(5) 1 d D U P A 2
F7_21 F 0.8609(18) 0.5409(11) 1.0003(8) 0.095(7) Uani 0.201(5) 1 d D U P A 2
F8_21 F 0.8385(14) 0.4473(9) 0.9899(9) 0.090(7) Uani 0.201(5) 1 d D U P A 2
F9_21 F 0.7884(13) 0.5054(13) 0.9454(8) 0.079(6) Uani 0.201(5) 1 d D U P A 2
C1_1 C 1.0759(3) 0.4076(2) 0.50513(16) 0.0288(9) Uani 1 1 d D U . J 1
H1_1 H 1.057994 0.381395 0.528512 0.035 Uiso 1 1 calc R U . J 1
C2_1 C 1.1528(3) 0.4413(2) 0.52152(18) 0.0333(10) Uani 1 1 d D U . J 1
H2A_1 H 1.174215 0.466838 0.498912 0.040 Uiso 1 1 calc R U . J 1
H2B_1 H 1.135177 0.465262 0.545824 0.040 Uiso 1 1 calc R U . J 1
C3_1 C 1.2238(4) 0.4007(2) 0.5353(2) 0.0434(13) Uani 1 1 d D U . J 1
H3A_1 H 1.273684 0.423208 0.544805 0.052 Uiso 1 1 calc R U . J 1
H3B_1 H 1.203714 0.377596 0.559640 0.052 Uiso 1 1 calc R U . J 1
C4_1 C 1.2506(3) 0.3612(2) 0.4998(2) 0.0418(12) Uani 1 1 d D U . J 1
H4A_1 H 1.292829 0.333424 0.510662 0.050 Uiso 1 1 calc R U . J 1
H4B_1 H 1.278475 0.383868 0.477195 0.050 Uiso 1 1 calc R U . J 1
C5_1 C 1.1750(4) 0.3290(2) 0.4810(2) 0.0417(12) Uani 1 1 d D U . J 1
H5A_1 H 1.153036 0.301542 0.502230 0.050 Uiso 1 1 calc R U . J 1
H5B_1 H 1.194307 0.306991 0.456019 0.050 Uiso 1 1 calc R U . J 1
C6_1 C 1.1030(3) 0.3695(2) 0.46779(18) 0.0360(11) Uani 1 1 d D U . J 1
H6A_1 H 1.053382 0.346950 0.457929 0.043 Uiso 1 1 calc R U . J 1
H6B_1 H 1.122491 0.393751 0.444007 0.043 Uiso 1 1 calc R U . J 1
C1_20 C 0.9469(3) 0.61985(19) 0.41552(15) 0.0267(9) Uani 1 1 d D U . K 1
H1_20 H 0.975056 0.627361 0.387641 0.032 Uiso 1 1 calc R U . K 1
C2_20 C 0.9284(3) 0.67763(19) 0.43607(15) 0.0283(9) Uani 1 1 d D U . K 1
H2A_20 H 0.982470 0.698846 0.439745 0.034 Uiso 1 1 calc R U . K 1
H2B_20 H 0.903209 0.671451 0.464467 0.034 Uiso 1 1 calc R U . K 1
C3_20 C 0.8668(3) 0.7133(2) 0.40916(18) 0.0349(11) Uani 1 1 d D U . K 1
H3A_20 H 0.852142 0.748841 0.424453 0.042 Uiso 1 1 calc R U . K 1
H3B_20 H 0.894868 0.723921 0.382202 0.042 Uiso 1 1 calc R U . K 1
C4_20 C 0.7858(4) 0.6798(2) 0.3998(2) 0.0406(12) Uani 1 1 d D U . K 1
H4A_20 H 0.754393 0.673148 0.426588 0.049 Uiso 1 1 calc R U . K 1
H4B_20 H 0.748665 0.702513 0.380872 0.049 Uiso 1 1 calc R U . K 1
C5_20 C 0.8052(4) 0.6230(2) 0.3792(2) 0.0418(13) Uani 1 1 d D U . K 1
H5A_20 H 0.832272 0.629606 0.351256 0.050 Uiso 1 1 calc R U . K 1
H5B_20 H 0.751314 0.601886 0.374415 0.050 Uiso 1 1 calc R U . K 1
C6_20 C 0.8645(3) 0.5872(2) 0.40676(17) 0.0330(10) Uani 1 1 d D U . K 1
H6A_20 H 0.877883 0.550889 0.392204 0.040 Uiso 1 1 calc R U . K 1
H6B_20 H 0.835876 0.578112 0.433868 0.040 Uiso 1 1 calc R U . K 1
C1_22 C 1.1237(3) 0.62082(19) 0.44803(14) 0.0248(8) Uani 1 1 d D U . L 1
H1_22 H 1.113029 0.656084 0.465071 0.030 Uiso 1 1 calc R U . L 1
C2_22 C 1.1519(3) 0.6409(2) 0.40431(16) 0.0341(10) Uani 1 1 d D U . L 1
H2A_22 H 1.165149 0.607416 0.386328 0.041 Uiso 1 1 calc R U . L 1
H2B_22 H 1.105110 0.662516 0.390706 0.041 Uiso 1 1 calc R U . L 1
C3_22 C 1.2305(3) 0.6787(3) 0.40798(19) 0.0419(13) Uani 1 1 d D U . L 1
H3A_22 H 1.216312 0.713135 0.424765 0.050 Uiso 1 1 calc R U . L 1
H3B_22 H 1.248420 0.691265 0.379396 0.050 Uiso 1 1 calc R U . L 1
C4_22 C 1.3041(3) 0.6466(3) 0.4294(2) 0.0426(13) Uani 1 1 d D U . L 1
H4A_22 H 1.353958 0.672232 0.432307 0.051 Uiso 1 1 calc R U . L 1
H4B_22 H 1.321244 0.613653 0.411618 0.051 Uiso 1 1 calc R U . L 1
C5_22 C 1.2760(3) 0.6254(3) 0.47330(18) 0.0392(12) Uani 1 1 d D U . L 1
H5A_22 H 1.322785 0.602943 0.486216 0.047 Uiso 1 1 calc R U . L 1
H5B_22 H 1.264630 0.658651 0.491816 0.047 Uiso 1 1 calc R U . L 1
C6_22 C 1.1961(3) 0.5885(2) 0.47058(16) 0.0310(10) Uani 1 1 d D U . L 1
H6A_22 H 1.177463 0.577788 0.499469 0.037 Uiso 1 1 calc R U . L 1
H6B_22 H 1.209163 0.552996 0.454853 0.037 Uiso 1 1 calc R U . L 1
C1_23 C 0.8858(3) 0.4148(2) 0.50671(15) 0.0277(9) Uani 1 1 d D U . M 1
H1_23 H 0.837236 0.437467 0.494963 0.033 Uiso 1 1 calc R U . M 1
C2_23 C 0.8729(3) 0.4123(2) 0.55421(17) 0.0381(12) Uani 1 1 d D U . M 1
H2A_23 H 0.873941 0.451463 0.565952 0.046 Uiso 1 1 calc R U . M 1
H2B_23 H 0.920143 0.390468 0.567290 0.046 Uiso 1 1 calc R U . M 1
C3_23 C 0.7877(4) 0.3838(3) 0.5652(2) 0.0465(14) Uani 1 1 d D U . M 1
H3A_23 H 0.782207 0.380837 0.596386 0.056 Uiso 1 1 calc R U . M 1
H3B_23 H 0.740232 0.407803 0.554685 0.056 Uiso 1 1 calc R U . M 1
C4_23 C 0.7810(4) 0.3246(2) 0.5458(2) 0.0465(14) Uani 1 1 d D U . M 1
H4A_23 H 0.823802 0.299162 0.559094 0.056 Uiso 1 1 calc R U . M 1
H4B_23 H 0.723740 0.308628 0.551658 0.056 Uiso 1 1 calc R U . M 1
C5_23 C 0.7957(4) 0.3261(2) 0.4983(2) 0.0450(13) Uani 1 1 d D U . M 1
H5A_23 H 0.748072 0.346926 0.484649 0.054 Uiso 1 1 calc R U . M 1
H5B_23 H 0.795849 0.286619 0.487188 0.054 Uiso 1 1 calc R U . M 1
C6_23 C 0.8798(3) 0.3551(2) 0.48682(18) 0.0360(11) Uani 1 1 d D U . M 1
H6A_23 H 0.884344 0.358385 0.455641 0.043 Uiso 1 1 calc R U . M 1
H6B_23 H 0.927965 0.331408 0.496935 0.043 Uiso 1 1 calc R U . M 1
H1 H 0.882(4) 0.559(2) 0.5171(18) 0.028(14) Uiso 1 1 d . . . . .


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 P3 2.4181(13) . ?
Ga1 P4 2.4264(12) . ?
Ga1 Ga2 2.4628(7) . ?
Ga1 H1 1.43(6) . ?
Ga2 O1 1.859(4) . ?
Ga2 P2 2.4283(13) . ?
Ga2 P1 2.4739(12) . ?
P1 C1 1.834(5) . ?
P1 C1_12 1.850(5) . ?
P1 C1_2 1.850(5) . ?
P2 C2 1.820(5) . ?
P2 C1_13 1.822(5) . ?
P2 C1_14 1.835(5) . ?
P3 C1_23 1.832(5) . ?
P3 C3 1.837(5) . ?
P3 C1_1 1.846(5) . ?
P4 C4 1.835(5) . ?
P4 C1_22 1.844(4) . ?
P4 C1_20 1.849(5) . ?
Al1 O1_3 1.690(5) . ?
Al1 O1_6 1.709(5) . ?
Al1 O1_4 1.716(4) . ?
Al1 O1_5 1.726(4) . ?
Al1 O1_21 1.73(2) . ?
Al1 O1_18 1.828(14) . ?
Al2 O1_19 1.665(18) . ?
Al2 O1_7 1.681(8) . ?
Al2 O1_9 1.694(12) . ?
Al2 O1_16 1.700(11) . ?
Al2 O1_10 1.713(8) . ?
Al2 O1_8 1.720(6) . ?
Al2 O1_17 1.729(15) . ?
Al2 O1_15 1.745(9) . ?
O1 C1_11 1.352(6) . ?
C1 C2 1.542(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.542(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
O1_3 C1_3 1.338(9) . ?
C1_3 C4_3 1.544(10) . ?
C1_3 C3_3 1.551(11) . ?
C1_3 C2_3 1.555(10) . ?
C2_3 F3_3 1.316(9) . ?
C2_3 F1_3 1.323(10) . ?
C2_3 F2_3 1.327(9) . ?
C3_3 F5_3 1.305(11) . ?
C3_3 F4_3 1.336(11) . ?
C3_3 F6_3 1.340(11) . ?
C4_3 F9_3 1.328(13) . ?
C4_3 F8_3 1.328(12) . ?
C4_3 F7_3 1.329(11) . ?
O1_4 C1_4 1.342(5) . ?
C1_4 C3_4 1.547(7) . ?
C1_4 C2_4 1.550(7) . ?
C1_4 C4_4 1.552(7) . ?
C2_4 F3_4 1.316(7) . ?
C2_4 F1_4 1.329(7) . ?
C2_4 F2_4 1.352(7) . ?
C3_4 F5_4 1.320(6) . ?
C3_4 F4_4 1.330(7) . ?
C3_4 F6_4 1.339(6) . ?
C4_4 F7_4 1.318(7) . ?
C4_4 F9_4 1.331(7) . ?
C4_4 F8_4 1.333(7) . ?
O1_5 C1_5 1.339(6) . ?
C1_5 C3_5 1.548(7) . ?
C1_5 C2_5 1.554(8) . ?
C1_5 C4_5 1.562(8) . ?
C2_5 F3_5 1.322(9) . ?
C2_5 F2_5 1.329(8) . ?
C2_5 F1_5 1.345(8) . ?
C3_5 F5_5 1.322(7) . ?
C3_5 F4_5 1.332(6) . ?
C3_5 F6_5 1.334(6) . ?
C4_5 F9_5 1.324(7) . ?
C4_5 F7_5 1.327(8) . ?
C4_5 F8_5 1.341(7) . ?
O1_6 C1_6 1.352(7) . ?
C1_6 C2_6 1.520(9) . ?
C1_6 C3_6 1.551(9) . ?
C1_6 C4_6 1.589(10) . ?
C2_6 F3_6 1.293(12) . ?
C2_6 F2_6 1.342(9) . ?
C2_6 F1_6 1.356(11) . ?
C3_6 F5_6 1.321(8) . ?
C3_6 F6_6 1.336(8) . ?
C3_6 F4_6 1.336(9) . ?
C4_6 F7_6 1.313(10) . ?
C4_6 F9_6 1.324(9) . ?
C4_6 F8_6 1.352(9) . ?
O1_7 C1_7 1.353(12) . ?
C1_7 C2_7 1.537(14) . ?
C1_7 C4_7 1.556(13) . ?
C1_7 C3_7 1.568(13) . ?
C2_7 F3_7 1.321(15) . ?
C2_7 F1_7 1.354(15) . ?
C2_7 F2_7 1.370(15) . ?
C3_7 F6_7 1.334(11) . ?
C3_7 F5_7 1.345(13) . ?
C3_7 F4_7 1.350(13) . ?
C4_7 F9_7 1.312(13) . ?
C4_7 F8_7 1.347(13) . ?
C4_7 F7_7 1.349(15) . ?
O1_8 C1_8 1.349(9) . ?
C1_8 C2_8 1.553(10) . ?
C1_8 C4_8 1.555(10) . ?
C1_8 C3_8 1.575(12) . ?
C2_8 F3_8 1.300(9) . ?
C2_8 F2_8 1.328(9) . ?
C2_8 F1_8 1.346(11) . ?
C3_8 F4_8 1.307(12) . ?
C3_8 F5_8 1.332(12) . ?
C3_8 F6_8 1.376(13) . ?
C4_8 F8_8 1.300(10) . ?
C4_8 F9_8 1.326(11) . ?
C4_8 F7_8 1.353(10) . ?
O1_9 C1_9 1.313(13) . ?
C1_9 C2_9 1.514(13) . ?
C1_9 C4_9 1.556(12) . ?
C1_9 C3_9 1.581(14) . ?
C2_9 F1_9 1.321(14) . ?
C2_9 F3_9 1.330(13) . ?
C2_9 F2_9 1.367(13) . ?
C3_9 F6_9 1.319(13) . ?
C3_9 F4_9 1.327(15) . ?
C3_9 F5_9 1.336(14) . ?
C4_9 F8_9 1.315(11) . ?
C4_9 F9_9 1.327(13) . ?
C4_9 F7_9 1.341(13) . ?
O1_10 C1_10 1.358(10) . ?
C1_10 C3_10 1.544(11) . ?
C1_10 C4_10 1.553(12) . ?
C1_10 C2_10 1.557(11) . ?
C2_10 F2_10 1.317(11) . ?
C2_10 F3_10 1.329(12) . ?
C2_10 F1_10 1.340(11) . ?
C3_10 F5_10 1.308(13) . ?
C3_10 F4_10 1.334(11) . ?
C3_10 F6_10 1.340(10) . ?
C4_10 F7_10 1.294(12) . ?
C4_10 F9_10 1.317(12) . ?
C4_10 F8_10 1.330(12) . ?
C1_11 C6_11 1.383(8) . ?
C1_11 C2_11 1.410(8) . ?
C2_11 C3_11 1.375(8) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.353(11) . ?
C3_11 H3_11 0.9500 . ?
C4_11 C5_11 1.395(11) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.395(8) . ?
C5_11 H5_11 0.9500 . ?
C6_11 H6_11 0.9500 . ?
C1_2 C2_2 1.528(7) . ?
C1_2 C6_2 1.540(7) . ?
C1_2 H1_2 1.0000 . ?
C2_2 C3_2 1.532(7) . ?
C2_2 H2A_2 0.9900 . ?
C2_2 H2B_2 0.9900 . ?
C3_2 C4_2 1.511(9) . ?
C3_2 H3A_2 0.9900 . ?
C3_2 H3B_2 0.9900 . ?
C4_2 C5_2 1.537(9) . ?
C4_2 H4A_2 0.9900 . ?
C4_2 H4B_2 0.9900 . ?
C5_2 C6_2 1.519(7) . ?
C5_2 H5A_2 0.9900 . ?
C5_2 H5B_2 0.9900 . ?
C6_2 H6A_2 0.9900 . ?
C6_2 H6B_2 0.9900 . ?
C1_12 C2_12 1.533(6) . ?
C1_12 C6_12 1.534(6) . ?
C1_12 H1_12 1.0000 . ?
C2_12 C3_12 1.520(7) . ?
C2_12 H2A_12 0.9900 . ?
C2_12 H2B_12 0.9900 . ?
C3_12 C4_12 1.526(8) . ?
C3_12 H3A_12 0.9900 . ?
C3_12 H3B_12 0.9900 . ?
C4_12 C5_12 1.524(7) . ?
C4_12 H4A_12 0.9900 . ?
C4_12 H4B_12 0.9900 . ?
C5_12 C6_12 1.530(7) . ?
C5_12 H5A_12 0.9900 . ?
C5_12 H5B_12 0.9900 . ?
C6_12 H6A_12 0.9900 . ?
C6_12 H6B_12 0.9900 . ?
C1_13 C2_13 1.520(7) . ?
C1_13 C6_13 1.526(8) . ?
C1_13 H1_13 1.0000 . ?
C2_13 C3_13 1.521(9) . ?
C2_13 H2A_13 0.9900 . ?
C2_13 H2B_13 0.9900 . ?
C3_13 C4_13 1.508(10) . ?
C3_13 H3A_13 0.9900 . ?
C3_13 H3B_13 0.9900 . ?
C4_13 C5_13 1.523(11) . ?
C4_13 H4A_13 0.9900 . ?
C4_13 H4B_13 0.9900 . ?
C5_13 C6_13 1.519(8) . ?
C5_13 H5A_13 0.9900 . ?
C5_13 H5B_13 0.9900 . ?
C6_13 H6A_13 0.9900 . ?
C6_13 H6B_13 0.9900 . ?
C1_14 C6_14 1.512(7) . ?
C1_14 C2_14 1.531(7) . ?
C1_14 H1_14 1.0000 . ?
C2_14 C3_14 1.540(7) . ?
C2_14 H2A_14 0.9900 . ?
C2_14 H2B_14 0.9900 . ?
C3_14 C4_14 1.512(8) . ?
C3_14 H3A_14 0.9900 . ?
C3_14 H3B_14 0.9900 . ?
C4_14 C5_14 1.501(9) . ?
C4_14 H4A_14 0.9900 . ?
C4_14 H4B_14 0.9900 . ?
C5_14 C6_14 1.522(10) . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5B_14 0.9900 . ?
C6_14 H6A_14 0.9900 . ?
C6_14 H6B_14 0.9900 . ?
O1_15 C1_15 1.342(13) . ?
C1_15 C4_15 1.536(13) . ?
C1_15 C2_15 1.551(13) . ?
C1_15 C3_15 1.581(13) . ?
C2_15 F2_15 1.314(13) . ?
C2_15 F1_15 1.329(12) . ?
C2_15 F3_15 1.347(12) . ?
C3_15 F4_15 1.327(12) . ?
C3_15 F6_15 1.329(12) . ?
C3_15 F5_15 1.333(12) . ?
C4_15 F8_15 1.332(13) . ?
C4_15 F7_15 1.340(13) . ?
C4_15 F9_15 1.340(13) . ?
O1_16 C1_16 1.343(15) . ?
C1_16 C2_16 1.534(15) . ?
C1_16 C3_16 1.564(14) . ?
C1_16 C4_16 1.567(16) . ?
C2_16 F3_16 1.333(16) . ?
C2_16 F2_16 1.344(14) . ?
C2_16 F1_16 1.367(15) . ?
C3_16 F6_16 1.325(15) . ?
C3_16 F4_16 1.333(14) . ?
C3_16 F5_16 1.336(16) . ?
C4_16 F7_16 1.332(17) . ?
C4_16 F9_16 1.346(16) . ?
C4_16 F8_16 1.351(16) . ?
O1_17 C1_17 1.322(15) . ?
C1_17 C3_17 1.522(15) . ?
C1_17 C2_17 1.548(15) . ?
C1_17 C4_17 1.596(16) . ?
C2_17 F1_17 1.341(16) . ?
C2_17 F3_17 1.342(17) . ?
C2_17 F2_17 1.367(16) . ?
C3_17 F6_17 1.355(15) . ?
C3_17 F4_17 1.356(15) . ?
C3_17 F5_17 1.365(16) . ?
C4_17 F7_17 1.327(16) . ?
C4_17 F8_17 1.343(14) . ?
C4_17 F9_17 1.352(16) . ?
O1_18 C1_18 1.346(16) . ?
C1_18 C4_18 1.553(16) . ?
C1_18 C2_18 1.558(16) . ?
C1_18 C3_18 1.561(16) . ?
C2_18 F2_18 1.314(16) . ?
C2_18 F3_18 1.315(16) . ?
C2_18 F1_18 1.330(17) . ?
C3_18 F4_18 1.316(16) . ?
C3_18 F5_18 1.325(16) . ?
C3_18 F6_18 1.334(15) . ?
C4_18 F8_18 1.311(17) . ?
C4_18 F7_18 1.323(16) . ?
C4_18 F9_18 1.333(16) . ?
O1_19 C1_19 1.337(17) . ?
C1_19 C4_19 1.528(17) . ?
C1_19 C2_19 1.546(17) . ?
C1_19 C3_19 1.576(17) . ?
C2_19 F2_19 1.306(18) . ?
C2_19 F1_19 1.313(18) . ?
C2_19 F3_19 1.367(18) . ?
C3_19 F5_19 1.302(17) . ?
C3_19 F6_19 1.324(17) . ?
C3_19 F4_19 1.339(18) . ?
C4_19 F9_19 1.321(17) . ?
C4_19 F7_19 1.351(18) . ?
C4_19 F8_19 1.362(18) . ?
O1_21 C1_21 1.341(18) . ?
C1_21 C4_21 1.548(17) . ?
C1_21 C3_21 1.550(17) . ?
C1_21 C2_21 1.578(17) . ?
C2_21 F3_21 1.323(18) . ?
C2_21 F2_21 1.327(18) . ?
C2_21 F1_21 1.340(18) . ?
C3_21 F6_21 1.341(17) . ?
C3_21 F5_21 1.345(18) . ?
C3_21 F4_21 1.348(18) . ?
C4_21 F9_21 1.334(18) . ?
C4_21 F8_21 1.340(18) . ?
C4_21 F7_21 1.347(18) . ?
C1_1 C2_1 1.531(6) . ?
C1_1 C6_1 1.538(7) . ?
C1_1 H1_1 1.0000 . ?
C2_1 C3_1 1.528(7) . ?
C2_1 H2A_1 0.9900 . ?
C2_1 H2B_1 0.9900 . ?
C3_1 C4_1 1.514(8) . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C4_1 C5_1 1.524(8) . ?
C4_1 H4A_1 0.9900 . ?
C4_1 H4B_1 0.9900 . ?
C5_1 C6_1 1.533(7) . ?
C5_1 H5A_1 0.9900 . ?
C5_1 H5B_1 0.9900 . ?
C6_1 H6A_1 0.9900 . ?
C6_1 H6B_1 0.9900 . ?
C1_20 C6_20 1.526(6) . ?
C1_20 C2_20 1.529(6) . ?
C1_20 H1_20 1.0000 . ?
C2_20 C3_20 1.533(6) . ?
C2_20 H2A_20 0.9900 . ?
C2_20 H2B_20 0.9900 . ?
C3_20 C4_20 1.522(7) . ?
C3_20 H3A_20 0.9900 . ?
C3_20 H3B_20 0.9900 . ?
C4_20 C5_20 1.512(7) . ?
C4_20 H4A_20 0.9900 . ?
C4_20 H4B_20 0.9900 . ?
C5_20 C6_20 1.525(7) . ?
C5_20 H5A_20 0.9900 . ?
C5_20 H5B_20 0.9900 . ?
C6_20 H6A_20 0.9900 . ?
C6_20 H6B_20 0.9900 . ?
C1_22 C2_22 1.524(6) . ?
C1_22 C6_22 1.538(6) . ?
C1_22 H1_22 1.0000 . ?
C2_22 C3_22 1.521(7) . ?
C2_22 H2A_22 0.9900 . ?
C2_22 H2B_22 0.9900 . ?
C3_22 C4_22 1.535(8) . ?
C3_22 H3A_22 0.9900 . ?
C3_22 H3B_22 0.9900 . ?
C4_22 C5_22 1.538(8) . ?
C4_22 H4A_22 0.9900 . ?
C4_22 H4B_22 0.9900 . ?
C5_22 C6_22 1.525(7) . ?
C5_22 H5A_22 0.9900 . ?
C5_22 H5B_22 0.9900 . ?
C6_22 H6A_22 0.9900 . ?
C6_22 H6B_22 0.9900 . ?
C1_23 C2_23 1.515(7) . ?
C1_23 C6_23 1.534(6) . ?
C1_23 H1_23 1.0000 . ?
C2_23 C3_23 1.533(7) . ?
C2_23 H2A_23 0.9900 . ?
C2_23 H2B_23 0.9900 . ?
C3_23 C4_23 1.520(8) . ?
C3_23 H3A_23 0.9900 . ?
C3_23 H3B_23 0.9900 . ?
C4_23 C5_23 1.517(9) . ?
C4_23 H4A_23 0.9900 . ?
C4_23 H4B_23 0.9900 . ?
C5_23 C6_23 1.528(7) . ?
C5_23 H5A_23 0.9900 . ?
C5_23 H5B_23 0.9900 . ?
C6_23 H6A_23 0.9900 . ?
C6_23 H6B_23 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P3 Ga1 P4 86.83(4) . . ?
P3 Ga1 Ga2 129.24(4) . . ?
P4 Ga1 Ga2 115.79(4) . . ?
P3 Ga1 H1 100(2) . . ?
P4 Ga1 H1 106(2) . . ?
Ga2 Ga1 H1 114(2) . . ?
O1 Ga2 P2 96.52(11) . . ?
O1 Ga2 Ga1 114.22(11) . . ?
P2 Ga2 Ga1 130.94(4) . . ?
O1 Ga2 P1 102.08(11) . . ?
P2 Ga2 P1 86.75(4) . . ?
Ga1 Ga2 P1 120.08(4) . . ?
C1 P1 C1_12 105.6(2) . . ?
C1 P1 C1_2 105.9(2) . . ?
C1_12 P1 C1_2 107.5(2) . . ?
C1 P1 Ga2 103.42(16) . . ?
C1_12 P1 Ga2 117.18(16) . . ?
C1_2 P1 Ga2 116.12(16) . . ?
C2 P2 C1_13 105.0(3) . . ?
C2 P2 C1_14 108.3(3) . . ?
C1_13 P2 C1_14 105.5(2) . . ?
C2 P2 Ga2 102.76(17) . . ?
C1_13 P2 Ga2 119.2(2) . . ?
C1_14 P2 Ga2 115.16(17) . . ?
C1_23 P3 C3 105.6(2) . . ?
C1_23 P3 C1_1 108.5(2) . . ?
C3 P3 C1_1 108.7(2) . . ?
C1_23 P3 Ga1 109.62(16) . . ?
C3 P3 Ga1 100.28(14) . . ?
C1_1 P3 Ga1 122.68(16) . . ?
C4 P4 C1_22 108.3(2) . . ?
C4 P4 C1_20 105.8(2) . . ?
C1_22 P4 C1_20 106.4(2) . . ?
C4 P4 Ga1 103.86(15) . . ?
C1_22 P4 Ga1 115.71(15) . . ?
C1_20 P4 Ga1 116.15(15) . . ?
O1_3 Al1 O1_6 110.5(3) . . ?
O1_3 Al1 O1_4 106.0(3) . . ?
O1_6 Al1 O1_4 113.7(3) . . ?
O1_3 Al1 O1_5 111.2(3) . . ?
O1_6 Al1 O1_5 108.7(3) . . ?
O1_4 Al1 O1_5 106.7(2) . . ?
O1_21 Al1 O1_18 104.5(8) . . ?
O1_7 Al2 O1_9 107.4(8) . . ?
O1_19 Al2 O1_16 116.5(9) . . ?
O1_7 Al2 O1_10 109.4(5) . . ?
O1_9 Al2 O1_10 112.1(6) . . ?
O1_7 Al2 O1_8 103.0(5) . . ?
O1_9 Al2 O1_8 117.1(6) . . ?
O1_10 Al2 O1_8 107.3(4) . . ?
O1_19 Al2 O1_17 89.3(10) . . ?
O1_16 Al2 O1_17 108.3(8) . . ?
O1_19 Al2 O1_15 119.3(10) . . ?
O1_16 Al2 O1_15 107.4(6) . . ?
O1_17 Al2 O1_15 114.7(8) . . ?
C1_11 O1 Ga2 124.0(3) . . ?
C2 C1 P1 113.3(4) . . ?
C2 C1 H1A 108.9 . . ?
P1 C1 H1A 108.9 . . ?
C2 C1 H1B 108.9 . . ?
P1 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C1 C2 P2 115.5(4) . . ?
C1 C2 H2A 108.4 . . ?
P2 C2 H2A 108.4 . . ?
C1 C2 H2B 108.4 . . ?
P2 C2 H2B 108.4 . . ?
H2A C2 H2B 107.5 . . ?
C4 C3 P3 111.9(3) . . ?
C4 C3 H3A 109.2 . . ?
P3 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
P3 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 P4 111.7(3) . . ?
C3 C4 H4A 109.3 . . ?
P4 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
P4 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C1_3 O1_3 Al1 149.4(6) . . ?
O1_3 C1_3 C4_3 112.2(7) . . ?
O1_3 C1_3 C3_3 108.4(7) . . ?
C4_3 C1_3 C3_3 109.4(8) . . ?
O1_3 C1_3 C2_3 106.6(6) . . ?
C4_3 C1_3 C2_3 109.9(7) . . ?
C3_3 C1_3 C2_3 110.4(7) . . ?
F3_3 C2_3 F1_3 108.0(7) . . ?
F3_3 C2_3 F2_3 105.9(8) . . ?
F1_3 C2_3 F2_3 108.9(8) . . ?
F3_3 C2_3 C1_3 111.2(7) . . ?
F1_3 C2_3 C1_3 110.6(7) . . ?
F2_3 C2_3 C1_3 112.1(7) . . ?
F5_3 C3_3 F4_3 108.1(9) . . ?
F5_3 C3_3 F6_3 108.8(10) . . ?
F4_3 C3_3 F6_3 105.4(7) . . ?
F5_3 C3_3 C1_3 110.6(7) . . ?
F4_3 C3_3 C1_3 111.3(8) . . ?
F6_3 C3_3 C1_3 112.4(8) . . ?
F9_3 C4_3 F8_3 107.9(10) . . ?
F9_3 C4_3 F7_3 109.3(11) . . ?
F8_3 C4_3 F7_3 108.6(10) . . ?
F9_3 C4_3 C1_3 110.1(9) . . ?
F8_3 C4_3 C1_3 112.2(9) . . ?
F7_3 C4_3 C1_3 108.6(8) . . ?
C1_4 O1_4 Al1 150.8(4) . . ?
O1_4 C1_4 C3_4 111.3(4) . . ?
O1_4 C1_4 C2_4 106.6(4) . . ?
C3_4 C1_4 C2_4 109.9(4) . . ?
O1_4 C1_4 C4_4 110.3(4) . . ?
C3_4 C1_4 C4_4 109.5(4) . . ?
C2_4 C1_4 C4_4 109.1(4) . . ?
F3_4 C2_4 F1_4 107.0(5) . . ?
F3_4 C2_4 F2_4 108.2(5) . . ?
F1_4 C2_4 F2_4 106.1(5) . . ?
F3_4 C2_4 C1_4 112.0(5) . . ?
F1_4 C2_4 C1_4 111.9(4) . . ?
F2_4 C2_4 C1_4 111.3(5) . . ?
F5_4 C3_4 F4_4 108.8(5) . . ?
F5_4 C3_4 F6_4 106.6(5) . . ?
F4_4 C3_4 F6_4 106.6(5) . . ?
F5_4 C3_4 C1_4 111.3(5) . . ?
F4_4 C3_4 C1_4 110.7(4) . . ?
F6_4 C3_4 C1_4 112.6(5) . . ?
F7_4 C4_4 F9_4 107.4(5) . . ?
F7_4 C4_4 F8_4 108.1(5) . . ?
F9_4 C4_4 F8_4 107.3(5) . . ?
F7_4 C4_4 C1_4 111.1(5) . . ?
F9_4 C4_4 C1_4 110.1(5) . . ?
F8_4 C4_4 C1_4 112.7(5) . . ?
C1_5 O1_5 Al1 148.5(4) . . ?
O1_5 C1_5 C3_5 113.0(4) . . ?
O1_5 C1_5 C2_5 107.2(5) . . ?
C3_5 C1_5 C2_5 108.6(5) . . ?
O1_5 C1_5 C4_5 108.5(5) . . ?
C3_5 C1_5 C4_5 109.3(4) . . ?
C2_5 C1_5 C4_5 110.2(5) . . ?
F3_5 C2_5 F2_5 108.4(7) . . ?
F3_5 C2_5 F1_5 108.8(6) . . ?
F2_5 C2_5 F1_5 107.5(6) . . ?
F3_5 C2_5 C1_5 111.3(6) . . ?
F2_5 C2_5 C1_5 111.1(5) . . ?
F1_5 C2_5 C1_5 109.6(6) . . ?
F5_5 C3_5 F4_5 106.7(4) . . ?
F5_5 C3_5 F6_5 107.3(5) . . ?
F4_5 C3_5 F6_5 107.0(4) . . ?
F5_5 C3_5 C1_5 112.1(4) . . ?
F4_5 C3_5 C1_5 110.5(4) . . ?
F6_5 C3_5 C1_5 112.9(4) . . ?
F9_5 C4_5 F7_5 107.9(6) . . ?
F9_5 C4_5 F8_5 107.9(5) . . ?
F7_5 C4_5 F8_5 108.5(6) . . ?
F9_5 C4_5 C1_5 110.7(5) . . ?
F7_5 C4_5 C1_5 110.2(5) . . ?
F8_5 C4_5 C1_5 111.5(6) . . ?
C1_6 O1_6 Al1 148.2(5) . . ?
O1_6 C1_6 C2_6 109.0(6) . . ?
O1_6 C1_6 C3_6 110.8(6) . . ?
C2_6 C1_6 C3_6 109.2(7) . . ?
O1_6 C1_6 C4_6 109.0(6) . . ?
C2_6 C1_6 C4_6 110.5(7) . . ?
C3_6 C1_6 C4_6 108.3(6) . . ?
F3_6 C2_6 F2_6 108.0(8) . . ?
F3_6 C2_6 F1_6 105.8(9) . . ?
F2_6 C2_6 F1_6 108.0(8) . . ?
F3_6 C2_6 C1_6 110.5(8) . . ?
F2_6 C2_6 C1_6 113.9(7) . . ?
F1_6 C2_6 C1_6 110.4(7) . . ?
F5_6 C3_6 F6_6 106.9(6) . . ?
F5_6 C3_6 F4_6 107.1(7) . . ?
F6_6 C3_6 F4_6 107.4(6) . . ?
F5_6 C3_6 C1_6 111.1(6) . . ?
F6_6 C3_6 C1_6 113.3(6) . . ?
F4_6 C3_6 C1_6 110.7(6) . . ?
F7_6 C4_6 F9_6 111.6(8) . . ?
F7_6 C4_6 F8_6 108.2(7) . . ?
F9_6 C4_6 F8_6 107.5(6) . . ?
F7_6 C4_6 C1_6 111.2(6) . . ?
F9_6 C4_6 C1_6 108.9(7) . . ?
F8_6 C4_6 C1_6 109.3(7) . . ?
C1_7 O1_7 Al2 149.6(8) . . ?
O1_7 C1_7 C2_7 111.4(10) . . ?
O1_7 C1_7 C4_7 107.3(9) . . ?
C2_7 C1_7 C4_7 108.5(10) . . ?
O1_7 C1_7 C3_7 109.9(9) . . ?
C2_7 C1_7 C3_7 109.5(10) . . ?
C4_7 C1_7 C3_7 110.1(9) . . ?
F3_7 C2_7 F1_7 109.7(13) . . ?
F3_7 C2_7 F2_7 107.8(13) . . ?
F1_7 C2_7 F2_7 110.6(13) . . ?
F3_7 C2_7 C1_7 110.2(10) . . ?
F1_7 C2_7 C1_7 109.5(11) . . ?
F2_7 C2_7 C1_7 109.1(12) . . ?
F6_7 C3_7 F5_7 110.1(9) . . ?
F6_7 C3_7 F4_7 106.3(11) . . ?
F5_7 C3_7 F4_7 110.5(10) . . ?
F6_7 C3_7 C1_7 112.0(9) . . ?
F5_7 C3_7 C1_7 108.9(10) . . ?
F4_7 C3_7 C1_7 109.0(9) . . ?
F9_7 C4_7 F8_7 107.5(11) . . ?
F9_7 C4_7 F7_7 105.9(12) . . ?
F8_7 C4_7 F7_7 112.7(12) . . ?
F9_7 C4_7 C1_7 112.4(9) . . ?
F8_7 C4_7 C1_7 110.1(10) . . ?
F7_7 C4_7 C1_7 108.3(10) . . ?
C1_8 O1_8 Al2 152.3(6) . . ?
O1_8 C1_8 C2_8 107.5(7) . . ?
O1_8 C1_8 C4_8 111.3(7) . . ?
C2_8 C1_8 C4_8 108.9(6) . . ?
O1_8 C1_8 C3_8 112.3(8) . . ?
C2_8 C1_8 C3_8 110.4(7) . . ?
C4_8 C1_8 C3_8 106.4(7) . . ?
F3_8 C2_8 F2_8 104.4(7) . . ?
F3_8 C2_8 F1_8 116.9(9) . . ?
F2_8 C2_8 F1_8 104.2(8) . . ?
F3_8 C2_8 C1_8 111.0(6) . . ?
F2_8 C2_8 C1_8 113.1(8) . . ?
F1_8 C2_8 C1_8 107.1(7) . . ?
F4_8 C3_8 F5_8 111.3(10) . . ?
F4_8 C3_8 F6_8 100.6(11) . . ?
F5_8 C3_8 F6_8 109.1(11) . . ?
F4_8 C3_8 C1_8 112.1(8) . . ?
F5_8 C3_8 C1_8 111.6(9) . . ?
F6_8 C3_8 C1_8 111.7(9) . . ?
F8_8 C4_8 F9_8 117.1(9) . . ?
F8_8 C4_8 F7_8 106.1(8) . . ?
F9_8 C4_8 F7_8 100.3(8) . . ?
F8_8 C4_8 C1_8 112.7(7) . . ?
F9_8 C4_8 C1_8 109.4(7) . . ?
F7_8 C4_8 C1_8 110.4(7) . . ?
C1_9 O1_9 Al2 159.2(16) . . ?
O1_9 C1_9 C2_9 115.8(12) . . ?
O1_9 C1_9 C4_9 111.4(11) . . ?
C2_9 C1_9 C4_9 110.4(9) . . ?
O1_9 C1_9 C3_9 103.5(10) . . ?
C2_9 C1_9 C3_9 109.0(10) . . ?
C4_9 C1_9 C3_9 106.1(9) . . ?
F1_9 C2_9 F3_9 108.4(12) . . ?
F1_9 C2_9 F2_9 106.1(11) . . ?
F3_9 C2_9 F2_9 106.2(11) . . ?
F1_9 C2_9 C1_9 112.3(10) . . ?
F3_9 C2_9 C1_9 113.0(10) . . ?
F2_9 C2_9 C1_9 110.5(11) . . ?
F6_9 C3_9 F4_9 106.6(13) . . ?
F6_9 C3_9 F5_9 107.9(12) . . ?
F4_9 C3_9 F5_9 109.6(13) . . ?
F6_9 C3_9 C1_9 111.6(11) . . ?
F4_9 C3_9 C1_9 110.0(10) . . ?
F5_9 C3_9 C1_9 111.0(11) . . ?
F8_9 C4_9 F9_9 106.4(10) . . ?
F8_9 C4_9 F7_9 109.2(10) . . ?
F9_9 C4_9 F7_9 103.9(10) . . ?
F8_9 C4_9 C1_9 114.7(9) . . ?
F9_9 C4_9 C1_9 110.1(9) . . ?
F7_9 C4_9 C1_9 111.9(9) . . ?
C1_10 O1_10 Al2 152.8(8) . . ?
O1_10 C1_10 C3_10 109.8(8) . . ?
O1_10 C1_10 C4_10 109.7(8) . . ?
C3_10 C1_10 C4_10 110.5(8) . . ?
O1_10 C1_10 C2_10 110.9(8) . . ?
C3_10 C1_10 C2_10 107.5(8) . . ?
C4_10 C1_10 C2_10 108.4(8) . . ?
F2_10 C2_10 F3_10 106.7(9) . . ?
F2_10 C2_10 F1_10 110.3(9) . . ?
F3_10 C2_10 F1_10 107.0(9) . . ?
F2_10 C2_10 C1_10 112.5(8) . . ?
F3_10 C2_10 C1_10 110.8(8) . . ?
F1_10 C2_10 C1_10 109.4(8) . . ?
F5_10 C3_10 F4_10 104.8(9) . . ?
F5_10 C3_10 F6_10 108.9(10) . . ?
F4_10 C3_10 F6_10 107.0(9) . . ?
F5_10 C3_10 C1_10 112.9(9) . . ?
F4_10 C3_10 C1_10 110.6(8) . . ?
F6_10 C3_10 C1_10 112.3(8) . . ?
F7_10 C4_10 F9_10 109.5(9) . . ?
F7_10 C4_10 F8_10 108.2(10) . . ?
F9_10 C4_10 F8_10 103.4(9) . . ?
F7_10 C4_10 C1_10 111.9(9) . . ?
F9_10 C4_10 C1_10 111.7(8) . . ?
F8_10 C4_10 C1_10 111.9(8) . . ?
O1 C1_11 C6_11 123.6(5) . . ?
O1 C1_11 C2_11 117.1(5) . . ?
C6_11 C1_11 C2_11 119.2(5) . . ?
C3_11 C2_11 C1_11 119.8(7) . . ?
C3_11 C2_11 H2_11 120.1 . . ?
C1_11 C2_11 H2_11 120.1 . . ?
C4_11 C3_11 C2_11 121.7(7) . . ?
C4_11 C3_11 H3_11 119.1 . . ?
C2_11 C3_11 H3_11 119.1 . . ?
C3_11 C4_11 C5_11 119.1(6) . . ?
C3_11 C4_11 H4_11 120.5 . . ?
C5_11 C4_11 H4_11 120.5 . . ?
C4_11 C5_11 C6_11 120.9(7) . . ?
C4_11 C5_11 H5_11 119.5 . . ?
C6_11 C5_11 H5_11 119.5 . . ?
C1_11 C6_11 C5_11 119.2(6) . . ?
C1_11 C6_11 H6_11 120.4 . . ?
C5_11 C6_11 H6_11 120.4 . . ?
C2_2 C1_2 C6_2 110.6(4) . . ?
C2_2 C1_2 P1 111.6(3) . . ?
C6_2 C1_2 P1 110.8(4) . . ?
C2_2 C1_2 H1_2 107.9 . . ?
C6_2 C1_2 H1_2 107.9 . . ?
P1 C1_2 H1_2 107.9 . . ?
C1_2 C2_2 C3_2 111.1(5) . . ?
C1_2 C2_2 H2A_2 109.4 . . ?
C3_2 C2_2 H2A_2 109.4 . . ?
C1_2 C2_2 H2B_2 109.4 . . ?
C3_2 C2_2 H2B_2 109.4 . . ?
H2A_2 C2_2 H2B_2 108.0 . . ?
C4_2 C3_2 C2_2 111.4(5) . . ?
C4_2 C3_2 H3A_2 109.4 . . ?
C2_2 C3_2 H3A_2 109.4 . . ?
C4_2 C3_2 H3B_2 109.4 . . ?
C2_2 C3_2 H3B_2 109.4 . . ?
H3A_2 C3_2 H3B_2 108.0 . . ?
C3_2 C4_2 C5_2 111.4(5) . . ?
C3_2 C4_2 H4A_2 109.4 . . ?
C5_2 C4_2 H4A_2 109.4 . . ?
C3_2 C4_2 H4B_2 109.4 . . ?
C5_2 C4_2 H4B_2 109.4 . . ?
H4A_2 C4_2 H4B_2 108.0 . . ?
C6_2 C5_2 C4_2 111.0(5) . . ?
C6_2 C5_2 H5A_2 109.4 . . ?
C4_2 C5_2 H5A_2 109.4 . . ?
C6_2 C5_2 H5B_2 109.4 . . ?
C4_2 C5_2 H5B_2 109.4 . . ?
H5A_2 C5_2 H5B_2 108.0 . . ?
C5_2 C6_2 C1_2 111.0(5) . . ?
C5_2 C6_2 H6A_2 109.4 . . ?
C1_2 C6_2 H6A_2 109.4 . . ?
C5_2 C6_2 H6B_2 109.4 . . ?
C1_2 C6_2 H6B_2 109.4 . . ?
H6A_2 C6_2 H6B_2 108.0 . . ?
C2_12 C1_12 C6_12 110.2(4) . . ?
C2_12 C1_12 P1 112.2(3) . . ?
C6_12 C1_12 P1 112.9(3) . . ?
C2_12 C1_12 H1_12 107.0 . . ?
C6_12 C1_12 H1_12 107.0 . . ?
P1 C1_12 H1_12 107.0 . . ?
C3_12 C2_12 C1_12 110.5(4) . . ?
C3_12 C2_12 H2A_12 109.6 . . ?
C1_12 C2_12 H2A_12 109.6 . . ?
C3_12 C2_12 H2B_12 109.6 . . ?
C1_12 C2_12 H2B_12 109.6 . . ?
H2A_12 C2_12 H2B_12 108.1 . . ?
C2_12 C3_12 C4_12 110.8(5) . . ?
C2_12 C3_12 H3A_12 109.5 . . ?
C4_12 C3_12 H3A_12 109.5 . . ?
C2_12 C3_12 H3B_12 109.5 . . ?
C4_12 C3_12 H3B_12 109.5 . . ?
H3A_12 C3_12 H3B_12 108.1 . . ?
C5_12 C4_12 C3_12 110.6(4) . . ?
C5_12 C4_12 H4A_12 109.5 . . ?
C3_12 C4_12 H4A_12 109.5 . . ?
C5_12 C4_12 H4B_12 109.5 . . ?
C3_12 C4_12 H4B_12 109.5 . . ?
H4A_12 C4_12 H4B_12 108.1 . . ?
C4_12 C5_12 C6_12 111.4(4) . . ?
C4_12 C5_12 H5A_12 109.3 . . ?
C6_12 C5_12 H5A_12 109.3 . . ?
C4_12 C5_12 H5B_12 109.3 . . ?
C6_12 C5_12 H5B_12 109.3 . . ?
H5A_12 C5_12 H5B_12 108.0 . . ?
C5_12 C6_12 C1_12 111.0(5) . . ?
C5_12 C6_12 H6A_12 109.4 . . ?
C1_12 C6_12 H6A_12 109.4 . . ?
C5_12 C6_12 H6B_12 109.4 . . ?
C1_12 C6_12 H6B_12 109.4 . . ?
H6A_12 C6_12 H6B_12 108.0 . . ?
C2_13 C1_13 C6_13 109.6(6) . . ?
C2_13 C1_13 P2 115.3(4) . . ?
C6_13 C1_13 P2 110.4(4) . . ?
C2_13 C1_13 H1_13 107.1 . . ?
C6_13 C1_13 H1_13 107.1 . . ?
P2 C1_13 H1_13 107.1 . . ?
C1_13 C2_13 C3_13 111.3(5) . . ?
C1_13 C2_13 H2A_13 109.4 . . ?
C3_13 C2_13 H2A_13 109.4 . . ?
C1_13 C2_13 H2B_13 109.4 . . ?
C3_13 C2_13 H2B_13 109.4 . . ?
H2A_13 C2_13 H2B_13 108.0 . . ?
C4_13 C3_13 C2_13 111.2(6) . . ?
C4_13 C3_13 H3A_13 109.4 . . ?
C2_13 C3_13 H3A_13 109.4 . . ?
C4_13 C3_13 H3B_13 109.4 . . ?
C2_13 C3_13 H3B_13 109.4 . . ?
H3A_13 C3_13 H3B_13 108.0 . . ?
C3_13 C4_13 C5_13 110.6(6) . . ?
C3_13 C4_13 H4A_13 109.5 . . ?
C5_13 C4_13 H4A_13 109.5 . . ?
C3_13 C4_13 H4B_13 109.5 . . ?
C5_13 C4_13 H4B_13 109.5 . . ?
H4A_13 C4_13 H4B_13 108.1 . . ?
C6_13 C5_13 C4_13 111.1(7) . . ?
C6_13 C5_13 H5A_13 109.4 . . ?
C4_13 C5_13 H5A_13 109.4 . . ?
C6_13 C5_13 H5B_13 109.4 . . ?
C4_13 C5_13 H5B_13 109.4 . . ?
H5A_13 C5_13 H5B_13 108.0 . . ?
C5_13 C6_13 C1_13 111.5(6) . . ?
C5_13 C6_13 H6A_13 109.3 . . ?
C1_13 C6_13 H6A_13 109.3 . . ?
C5_13 C6_13 H6B_13 109.3 . . ?
C1_13 C6_13 H6B_13 109.3 . . ?
H6A_13 C6_13 H6B_13 108.0 . . ?
C6_14 C1_14 C2_14 109.7(5) . . ?
C6_14 C1_14 P2 114.3(4) . . ?
C2_14 C1_14 P2 111.5(3) . . ?
C6_14 C1_14 H1_14 107.0 . . ?
C2_14 C1_14 H1_14 107.0 . . ?
P2 C1_14 H1_14 107.0 . . ?
C1_14 C2_14 C3_14 111.0(5) . . ?
C1_14 C2_14 H2A_14 109.4 . . ?
C3_14 C2_14 H2A_14 109.4 . . ?
C1_14 C2_14 H2B_14 109.4 . . ?
C3_14 C2_14 H2B_14 109.4 . . ?
H2A_14 C2_14 H2B_14 108.0 . . ?
C4_14 C3_14 C2_14 110.9(5) . . ?
C4_14 C3_14 H3A_14 109.5 . . ?
C2_14 C3_14 H3A_14 109.5 . . ?
C4_14 C3_14 H3B_14 109.5 . . ?
C2_14 C3_14 H3B_14 109.5 . . ?
H3A_14 C3_14 H3B_14 108.1 . . ?
C5_14 C4_14 C3_14 110.2(5) . . ?
C5_14 C4_14 H4A_14 109.6 . . ?
C3_14 C4_14 H4A_14 109.6 . . ?
C5_14 C4_14 H4B_14 109.6 . . ?
C3_14 C4_14 H4B_14 109.6 . . ?
H4A_14 C4_14 H4B_14 108.1 . . ?
C4_14 C5_14 C6_14 112.6(6) . . ?
C4_14 C5_14 H5A_14 109.1 . . ?
C6_14 C5_14 H5A_14 109.1 . . ?
C4_14 C5_14 H5B_14 109.1 . . ?
C6_14 C5_14 H5B_14 109.1 . . ?
H5A_14 C5_14 H5B_14 107.8 . . ?
C1_14 C6_14 C5_14 112.5(6) . . ?
C1_14 C6_14 H6A_14 109.1 . . ?
C5_14 C6_14 H6A_14 109.1 . . ?
C1_14 C6_14 H6B_14 109.1 . . ?
C5_14 C6_14 H6B_14 109.1 . . ?
H6A_14 C6_14 H6B_14 107.8 . . ?
C1_15 O1_15 Al2 149.1(9) . . ?
O1_15 C1_15 C4_15 109.8(10) . . ?
O1_15 C1_15 C2_15 111.3(9) . . ?
C4_15 C1_15 C2_15 109.3(9) . . ?
O1_15 C1_15 C3_15 109.4(10) . . ?
C4_15 C1_15 C3_15 108.2(9) . . ?
C2_15 C1_15 C3_15 108.7(9) . . ?
F2_15 C2_15 F1_15 107.2(10) . . ?
F2_15 C2_15 F3_15 105.5(9) . . ?
F1_15 C2_15 F3_15 109.2(10) . . ?
F2_15 C2_15 C1_15 113.2(10) . . ?
F1_15 C2_15 C1_15 110.4(9) . . ?
F3_15 C2_15 C1_15 111.2(9) . . ?
F4_15 C3_15 F6_15 109.5(10) . . ?
F4_15 C3_15 F5_15 107.8(10) . . ?
F6_15 C3_15 F5_15 107.0(10) . . ?
F4_15 C3_15 C1_15 110.7(9) . . ?
F6_15 C3_15 C1_15 112.3(9) . . ?
F5_15 C3_15 C1_15 109.4(9) . . ?
F8_15 C4_15 F7_15 106.8(11) . . ?
F8_15 C4_15 F9_15 106.9(11) . . ?
F7_15 C4_15 F9_15 107.5(11) . . ?
F8_15 C4_15 C1_15 111.9(10) . . ?
F7_15 C4_15 C1_15 113.3(10) . . ?
F9_15 C4_15 C1_15 110.2(10) . . ?
C1_16 O1_16 Al2 148.1(10) . . ?
O1_16 C1_16 C2_16 109.2(11) . . ?
O1_16 C1_16 C3_16 109.5(11) . . ?
C2_16 C1_16 C3_16 110.5(11) . . ?
O1_16 C1_16 C4_16 110.7(12) . . ?
C2_16 C1_16 C4_16 109.3(12) . . ?
C3_16 C1_16 C4_16 107.7(11) . . ?
F3_16 C2_16 F2_16 102.9(14) . . ?
F3_16 C2_16 F1_16 116.9(15) . . ?
F2_16 C2_16 F1_16 108.0(13) . . ?
F3_16 C2_16 C1_16 109.4(12) . . ?
F2_16 C2_16 C1_16 111.9(13) . . ?
F1_16 C2_16 C1_16 107.7(12) . . ?
F6_16 C3_16 F4_16 104.1(13) . . ?
F6_16 C3_16 F5_16 105.8(15) . . ?
F4_16 C3_16 F5_16 118.9(14) . . ?
F6_16 C3_16 C1_16 112.1(13) . . ?
F4_16 C3_16 C1_16 107.6(10) . . ?
F5_16 C3_16 C1_16 108.4(12) . . ?
F7_16 C4_16 F9_16 113.8(16) . . ?
F7_16 C4_16 F8_16 103.2(16) . . ?
F9_16 C4_16 F8_16 109.7(15) . . ?
F7_16 C4_16 C1_16 111.0(13) . . ?
F9_16 C4_16 C1_16 107.9(13) . . ?
F8_16 C4_16 C1_16 111.3(14) . . ?
C1_17 O1_17 Al2 150.2(12) . . ?
O1_17 C1_17 C3_17 111.9(13) . . ?
O1_17 C1_17 C2_17 112.8(12) . . ?
C3_17 C1_17 C2_17 109.2(11) . . ?
O1_17 C1_17 C4_17 106.6(13) . . ?
C3_17 C1_17 C4_17 109.3(12) . . ?
C2_17 C1_17 C4_17 106.8(11) . . ?
F1_17 C2_17 F3_17 114.6(18) . . ?
F1_17 C2_17 F2_17 109.3(15) . . ?
F3_17 C2_17 F2_17 103.7(17) . . ?
F1_17 C2_17 C1_17 111.6(13) . . ?
F3_17 C2_17 C1_17 107.8(15) . . ?
F2_17 C2_17 C1_17 109.5(13) . . ?
F6_17 C3_17 F4_17 104.5(14) . . ?
F6_17 C3_17 F5_17 114.5(16) . . ?
F4_17 C3_17 F5_17 111.7(15) . . ?
F6_17 C3_17 C1_17 109.6(13) . . ?
F4_17 C3_17 C1_17 108.7(12) . . ?
F5_17 C3_17 C1_17 107.6(13) . . ?
F7_17 C4_17 F8_17 119.2(15) . . ?
F7_17 C4_17 F9_17 109.0(14) . . ?
F8_17 C4_17 F9_17 105.3(13) . . ?
F7_17 C4_17 C1_17 106.2(12) . . ?
F8_17 C4_17 C1_17 108.9(13) . . ?
F9_17 C4_17 C1_17 107.8(12) . . ?
C1_18 O1_18 Al1 151.4(14) . . ?
O1_18 C1_18 C4_18 112.4(14) . . ?
O1_18 C1_18 C2_18 110.0(14) . . ?
C4_18 C1_18 C2_18 108.2(12) . . ?
O1_18 C1_18 C3_18 107.1(13) . . ?
C4_18 C1_18 C3_18 109.4(12) . . ?
C2_18 C1_18 C3_18 109.8(13) . . ?
F2_18 C2_18 F3_18 111.2(16) . . ?
F2_18 C2_18 F1_18 107.4(15) . . ?
F3_18 C2_18 F1_18 106.8(16) . . ?
F2_18 C2_18 C1_18 112.0(14) . . ?
F3_18 C2_18 C1_18 110.0(13) . . ?
F1_18 C2_18 C1_18 109.2(13) . . ?
F4_18 C3_18 F5_18 108.9(15) . . ?
F4_18 C3_18 F6_18 107.9(14) . . ?
F5_18 C3_18 F6_18 108.7(15) . . ?
F4_18 C3_18 C1_18 110.1(14) . . ?
F5_18 C3_18 C1_18 110.1(13) . . ?
F6_18 C3_18 C1_18 111.1(13) . . ?
F8_18 C4_18 F7_18 107.8(16) . . ?
F8_18 C4_18 F9_18 104.6(17) . . ?
F7_18 C4_18 F9_18 110.8(17) . . ?
F8_18 C4_18 C1_18 113.5(14) . . ?
F7_18 C4_18 C1_18 111.3(14) . . ?
F9_18 C4_18 C1_18 108.7(13) . . ?
C1_19 O1_19 Al2 159.8(18) . . ?
O1_19 C1_19 C4_19 117.2(17) . . ?
O1_19 C1_19 C2_19 115.5(17) . . ?
C4_19 C1_19 C2_19 112.1(15) . . ?
O1_19 C1_19 C3_19 97.0(16) . . ?
C4_19 C1_19 C3_19 108.3(14) . . ?
C2_19 C1_19 C3_19 104.4(15) . . ?
F2_19 C2_19 F1_19 113(2) . . ?
F2_19 C2_19 F3_19 96.9(17) . . ?
F1_19 C2_19 F3_19 111(2) . . ?
F2_19 C2_19 C1_19 115.7(18) . . ?
F1_19 C2_19 C1_19 108.9(16) . . ?
F3_19 C2_19 C1_19 110.7(18) . . ?
F5_19 C3_19 F6_19 111.2(17) . . ?
F5_19 C3_19 F4_19 117(2) . . ?
F6_19 C3_19 F4_19 104.6(19) . . ?
F5_19 C3_19 C1_19 109.5(15) . . ?
F6_19 C3_19 C1_19 110.3(16) . . ?
F4_19 C3_19 C1_19 103.5(17) . . ?
F9_19 C4_19 F7_19 105(2) . . ?
F9_19 C4_19 F8_19 121(2) . . ?
F7_19 C4_19 F8_19 96(2) . . ?
F9_19 C4_19 C1_19 113.2(16) . . ?
F7_19 C4_19 C1_19 114.3(18) . . ?
F8_19 C4_19 C1_19 106.4(17) . . ?
C1_21 O1_21 Al1 148.4(18) . . ?
O1_21 C1_21 C4_21 109.0(15) . . ?
O1_21 C1_21 C3_21 108.9(16) . . ?
C4_21 C1_21 C3_21 111.1(16) . . ?
O1_21 C1_21 C2_21 110.3(17) . . ?
C4_21 C1_21 C2_21 107.7(15) . . ?
C3_21 C1_21 C2_21 109.9(15) . . ?
F3_21 C2_21 F2_21 104(2) . . ?
F3_21 C2_21 F1_21 124(2) . . ?
F2_21 C2_21 F1_21 104(2) . . ?
F3_21 C2_21 C1_21 107.6(16) . . ?
F2_21 C2_21 C1_21 113.8(19) . . ?
F1_21 C2_21 C1_21 103.3(18) . . ?
F6_21 C3_21 F5_21 109(2) . . ?
F6_21 C3_21 F4_21 111.9(19) . . ?
F5_21 C3_21 F4_21 109(2) . . ?
F6_21 C3_21 C1_21 107.9(17) . . ?
F5_21 C3_21 C1_21 106.9(16) . . ?
F4_21 C3_21 C1_21 111.9(17) . . ?
F9_21 C4_21 F8_21 104(2) . . ?
F9_21 C4_21 F7_21 113(2) . . ?
F8_21 C4_21 F7_21 113(2) . . ?
F9_21 C4_21 C1_21 110.0(17) . . ?
F8_21 C4_21 C1_21 110.1(17) . . ?
F7_21 C4_21 C1_21 106.7(16) . . ?
C2_1 C1_1 C6_1 110.0(4) . . ?
C2_1 C1_1 P3 112.6(3) . . ?
C6_1 C1_1 P3 113.6(3) . . ?
C2_1 C1_1 H1_1 106.7 . . ?
C6_1 C1_1 H1_1 106.7 . . ?
P3 C1_1 H1_1 106.7 . . ?
C3_1 C2_1 C1_1 110.4(4) . . ?
C3_1 C2_1 H2A_1 109.6 . . ?
C1_1 C2_1 H2A_1 109.6 . . ?
C3_1 C2_1 H2B_1 109.6 . . ?
C1_1 C2_1 H2B_1 109.6 . . ?
H2A_1 C2_1 H2B_1 108.1 . . ?
C4_1 C3_1 C2_1 111.8(5) . . ?
C4_1 C3_1 H3A_1 109.3 . . ?
C2_1 C3_1 H3A_1 109.3 . . ?
C4_1 C3_1 H3B_1 109.3 . . ?
C2_1 C3_1 H3B_1 109.3 . . ?
H3A_1 C3_1 H3B_1 107.9 . . ?
C3_1 C4_1 C5_1 112.0(5) . . ?
C3_1 C4_1 H4A_1 109.2 . . ?
C5_1 C4_1 H4A_1 109.2 . . ?
C3_1 C4_1 H4B_1 109.2 . . ?
C5_1 C4_1 H4B_1 109.2 . . ?
H4A_1 C4_1 H4B_1 107.9 . . ?
C4_1 C5_1 C6_1 111.8(4) . . ?
C4_1 C5_1 H5A_1 109.2 . . ?
C6_1 C5_1 H5A_1 109.2 . . ?
C4_1 C5_1 H5B_1 109.2 . . ?
C6_1 C5_1 H5B_1 109.2 . . ?
H5A_1 C5_1 H5B_1 107.9 . . ?
C5_1 C6_1 C1_1 110.7(4) . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C1_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6B_1 109.5 . . ?
C1_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 108.1 . . ?
C6_20 C1_20 C2_20 111.0(4) . . ?
C6_20 C1_20 P4 113.4(3) . . ?
C2_20 C1_20 P4 109.4(3) . . ?
C6_20 C1_20 H1_20 107.6 . . ?
C2_20 C1_20 H1_20 107.6 . . ?
P4 C1_20 H1_20 107.6 . . ?
C1_20 C2_20 C3_20 111.5(4) . . ?
C1_20 C2_20 H2A_20 109.3 . . ?
C3_20 C2_20 H2A_20 109.3 . . ?
C1_20 C2_20 H2B_20 109.3 . . ?
C3_20 C2_20 H2B_20 109.3 . . ?
H2A_20 C2_20 H2B_20 108.0 . . ?
C4_20 C3_20 C2_20 110.6(4) . . ?
C4_20 C3_20 H3A_20 109.5 . . ?
C2_20 C3_20 H3A_20 109.5 . . ?
C4_20 C3_20 H3B_20 109.5 . . ?
C2_20 C3_20 H3B_20 109.5 . . ?
H3A_20 C3_20 H3B_20 108.1 . . ?
C5_20 C4_20 C3_20 111.6(5) . . ?
C5_20 C4_20 H4A_20 109.3 . . ?
C3_20 C4_20 H4A_20 109.3 . . ?
C5_20 C4_20 H4B_20 109.3 . . ?
C3_20 C4_20 H4B_20 109.3 . . ?
H4A_20 C4_20 H4B_20 108.0 . . ?
C4_20 C5_20 C6_20 111.0(4) . . ?
C4_20 C5_20 H5A_20 109.4 . . ?
C6_20 C5_20 H5A_20 109.4 . . ?
C4_20 C5_20 H5B_20 109.4 . . ?
C6_20 C5_20 H5B_20 109.4 . . ?
H5A_20 C5_20 H5B_20 108.0 . . ?
C5_20 C6_20 C1_20 110.2(4) . . ?
C5_20 C6_20 H6A_20 109.6 . . ?
C1_20 C6_20 H6A_20 109.6 . . ?
C5_20 C6_20 H6B_20 109.6 . . ?
C1_20 C6_20 H6B_20 109.6 . . ?
H6A_20 C6_20 H6B_20 108.1 . . ?
C2_22 C1_22 C6_22 110.9(4) . . ?
C2_22 C1_22 P4 114.8(3) . . ?
C6_22 C1_22 P4 111.5(3) . . ?
C2_22 C1_22 H1_22 106.3 . . ?
C6_22 C1_22 H1_22 106.3 . . ?
P4 C1_22 H1_22 106.3 . . ?
C3_22 C2_22 C1_22 110.2(4) . . ?
C3_22 C2_22 H2A_22 109.6 . . ?
C1_22 C2_22 H2A_22 109.6 . . ?
C3_22 C2_22 H2B_22 109.6 . . ?
C1_22 C2_22 H2B_22 109.6 . . ?
H2A_22 C2_22 H2B_22 108.1 . . ?
C2_22 C3_22 C4_22 110.9(5) . . ?
C2_22 C3_22 H3A_22 109.5 . . ?
C4_22 C3_22 H3A_22 109.5 . . ?
C2_22 C3_22 H3B_22 109.5 . . ?
C4_22 C3_22 H3B_22 109.5 . . ?
H3A_22 C3_22 H3B_22 108.0 . . ?
C3_22 C4_22 C5_22 109.8(5) . . ?
C3_22 C4_22 H4A_22 109.7 . . ?
C5_22 C4_22 H4A_22 109.7 . . ?
C3_22 C4_22 H4B_22 109.7 . . ?
C5_22 C4_22 H4B_22 109.7 . . ?
H4A_22 C4_22 H4B_22 108.2 . . ?
C6_22 C5_22 C4_22 111.6(5) . . ?
C6_22 C5_22 H5A_22 109.3 . . ?
C4_22 C5_22 H5A_22 109.3 . . ?
C6_22 C5_22 H5B_22 109.3 . . ?
C4_22 C5_22 H5B_22 109.3 . . ?
H5A_22 C5_22 H5B_22 108.0 . . ?
C5_22 C6_22 C1_22 110.7(4) . . ?
C5_22 C6_22 H6A_22 109.5 . . ?
C1_22 C6_22 H6A_22 109.5 . . ?
C5_22 C6_22 H6B_22 109.5 . . ?
C1_22 C6_22 H6B_22 109.5 . . ?
H6A_22 C6_22 H6B_22 108.1 . . ?
C2_23 C1_23 C6_23 111.2(4) . . ?
C2_23 C1_23 P3 111.2(3) . . ?
C6_23 C1_23 P3 114.1(3) . . ?
C2_23 C1_23 H1_23 106.6 . . ?
C6_23 C1_23 H1_23 106.6 . . ?
P3 C1_23 H1_23 106.6 . . ?
C1_23 C2_23 C3_23 111.0(5) . . ?
C1_23 C2_23 H2A_23 109.4 . . ?
C3_23 C2_23 H2A_23 109.4 . . ?
C1_23 C2_23 H2B_23 109.4 . . ?
C3_23 C2_23 H2B_23 109.4 . . ?
H2A_23 C2_23 H2B_23 108.0 . . ?
C4_23 C3_23 C2_23 111.4(5) . . ?
C4_23 C3_23 H3A_23 109.3 . . ?
C2_23 C3_23 H3A_23 109.3 . . ?
C4_23 C3_23 H3B_23 109.3 . . ?
C2_23 C3_23 H3B_23 109.3 . . ?
H3A_23 C3_23 H3B_23 108.0 . . ?
C5_23 C4_23 C3_23 111.5(5) . . ?
C5_23 C4_23 H4A_23 109.3 . . ?
C3_23 C4_23 H4A_23 109.3 . . ?
C5_23 C4_23 H4B_23 109.3 . . ?
C3_23 C4_23 H4B_23 109.3 . . ?
H4A_23 C4_23 H4B_23 108.0 . . ?
C4_23 C5_23 C6_23 112.1(5) . . ?
C4_23 C5_23 H5A_23 109.2 . . ?
C6_23 C5_23 H5A_23 109.2 . . ?
C4_23 C5_23 H5B_23 109.2 . . ?
C6_23 C5_23 H5B_23 109.2 . . ?
H5A_23 C5_23 H5B_23 107.9 . . ?
C5_23 C6_23 C1_23 111.1(4) . . ?
C5_23 C6_23 H6A_23 109.4 . . ?
C1_23 C6_23 H6A_23 109.4 . . ?
C5_23 C6_23 H6B_23 109.4 . . ?
C1_23 C6_23 H6B_23 109.4 . . ?
H6A_23 C6_23 H6B_23 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Ga2 O1 C1_11 -161.2(3) . . . . ?
Ga1 Ga2 O1 C1_11 58.1(4) . . . . ?
P1 Ga2 O1 C1_11 -73.1(4) . . . . ?
C1_12 P1 C1 C2 -91.0(4) . . . . ?
C1_2 P1 C1 C2 155.3(4) . . . . ?
Ga2 P1 C1 C2 32.7(4) . . . . ?
P1 C1 C2 P2 -50.8(5) . . . . ?
C1_13 P2 C2 C1 165.0(4) . . . . ?
C1_14 P2 C2 C1 -82.6(5) . . . . ?
Ga2 P2 C2 C1 39.7(5) . . . . ?
C1_23 P3 C3 C4 163.5(3) . . . . ?
C1_1 P3 C3 C4 -80.2(4) . . . . ?
Ga1 P3 C3 C4 49.6(3) . . . . ?
P3 C3 C4 P4 -56.8(4) . . . . ?
C1_22 P4 C4 C3 155.5(3) . . . . ?
C1_20 P4 C4 C3 -90.8(4) . . . . ?
Ga1 P4 C4 C3 32.0(3) . . . . ?
O1_6 Al1 O1_3 C1_3 31.0(12) . . . . ?
O1_4 Al1 O1_3 C1_3 154.6(11) . . . . ?
O1_5 Al1 O1_3 C1_3 -89.8(11) . . . . ?
Al1 O1_3 C1_3 C4_3 53.1(14) . . . . ?
Al1 O1_3 C1_3 C3_3 -67.8(13) . . . . ?
Al1 O1_3 C1_3 C2_3 173.4(9) . . . . ?
O1_3 C1_3 C2_3 F3_3 77.0(8) . . . . ?
C4_3 C1_3 C2_3 F3_3 -161.2(8) . . . . ?
C3_3 C1_3 C2_3 F3_3 -40.4(9) . . . . ?
O1_3 C1_3 C2_3 F1_3 -43.0(9) . . . . ?
C4_3 C1_3 C2_3 F1_3 78.8(9) . . . . ?
C3_3 C1_3 C2_3 F1_3 -160.4(7) . . . . ?
O1_3 C1_3 C2_3 F2_3 -164.7(8) . . . . ?
C4_3 C1_3 C2_3 F2_3 -43.0(11) . . . . ?
C3_3 C1_3 C2_3 F2_3 77.8(10) . . . . ?
O1_3 C1_3 C3_3 F5_3 -40.0(11) . . . . ?
C4_3 C1_3 C3_3 F5_3 -162.7(9) . . . . ?
C2_3 C1_3 C3_3 F5_3 76.3(10) . . . . ?
O1_3 C1_3 C3_3 F4_3 80.2(9) . . . . ?
C4_3 C1_3 C3_3 F4_3 -42.4(10) . . . . ?
C2_3 C1_3 C3_3 F4_3 -163.5(7) . . . . ?
O1_3 C1_3 C3_3 F6_3 -161.8(8) . . . . ?
C4_3 C1_3 C3_3 F6_3 75.5(10) . . . . ?
C2_3 C1_3 C3_3 F6_3 -45.5(10) . . . . ?
O1_3 C1_3 C4_3 F9_3 75.0(10) . . . . ?
C3_3 C1_3 C4_3 F9_3 -164.6(9) . . . . ?
C2_3 C1_3 C4_3 F9_3 -43.3(11) . . . . ?
O1_3 C1_3 C4_3 F8_3 -164.7(9) . . . . ?
C3_3 C1_3 C4_3 F8_3 -44.4(11) . . . . ?
C2_3 C1_3 C4_3 F8_3 76.9(11) . . . . ?
O1_3 C1_3 C4_3 F7_3 -44.6(12) . . . . ?
C3_3 C1_3 C4_3 F7_3 75.7(11) . . . . ?
C2_3 C1_3 C4_3 F7_3 -163.0(9) . . . . ?
O1_3 Al1 O1_4 C1_4 -60.0(9) . . . . ?
O1_6 Al1 O1_4 C1_4 61.6(9) . . . . ?
O1_5 Al1 O1_4 C1_4 -178.5(8) . . . . ?
Al1 O1_4 C1_4 C3_4 -48.1(10) . . . . ?
Al1 O1_4 C1_4 C2_4 -168.0(7) . . . . ?
Al1 O1_4 C1_4 C4_4 73.6(9) . . . . ?
O1_4 C1_4 C2_4 F3_4 45.0(6) . . . . ?
C3_4 C1_4 C2_4 F3_4 -75.8(6) . . . . ?
C4_4 C1_4 C2_4 F3_4 164.0(5) . . . . ?
O1_4 C1_4 C2_4 F1_4 -75.2(6) . . . . ?
C3_4 C1_4 C2_4 F1_4 164.0(4) . . . . ?
C4_4 C1_4 C2_4 F1_4 43.9(6) . . . . ?
O1_4 C1_4 C2_4 F2_4 166.3(5) . . . . ?
C3_4 C1_4 C2_4 F2_4 45.5(6) . . . . ?
C4_4 C1_4 C2_4 F2_4 -74.6(6) . . . . ?
O1_4 C1_4 C3_4 F5_4 -74.4(6) . . . . ?
C2_4 C1_4 C3_4 F5_4 43.5(6) . . . . ?
C4_4 C1_4 C3_4 F5_4 163.4(5) . . . . ?
O1_4 C1_4 C3_4 F4_4 46.7(6) . . . . ?
C2_4 C1_4 C3_4 F4_4 164.6(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -75.4(5) . . . . ?
O1_4 C1_4 C3_4 F6_4 165.9(5) . . . . ?
C2_4 C1_4 C3_4 F6_4 -76.2(6) . . . . ?
C4_4 C1_4 C3_4 F6_4 43.7(6) . . . . ?
O1_4 C1_4 C4_4 F7_4 -77.6(6) . . . . ?
C3_4 C1_4 C4_4 F7_4 45.1(6) . . . . ?
C2_4 C1_4 C4_4 F7_4 165.6(5) . . . . ?
O1_4 C1_4 C4_4 F9_4 41.1(6) . . . . ?
C3_4 C1_4 C4_4 F9_4 163.9(5) . . . . ?
C2_4 C1_4 C4_4 F9_4 -75.7(6) . . . . ?
O1_4 C1_4 C4_4 F8_4 160.9(5) . . . . ?
C3_4 C1_4 C4_4 F8_4 -76.3(6) . . . . ?
C2_4 C1_4 C4_4 F8_4 44.1(7) . . . . ?
O1_3 Al1 O1_5 C1_5 -75.9(9) . . . . ?
O1_6 Al1 O1_5 C1_5 162.3(8) . . . . ?
O1_4 Al1 O1_5 C1_5 39.2(9) . . . . ?
Al1 O1_5 C1_5 C3_5 3.2(11) . . . . ?
Al1 O1_5 C1_5 C2_5 -116.4(9) . . . . ?
Al1 O1_5 C1_5 C4_5 124.6(8) . . . . ?
O1_5 C1_5 C2_5 F3_5 47.1(7) . . . . ?
C3_5 C1_5 C2_5 F3_5 -75.3(6) . . . . ?
C4_5 C1_5 C2_5 F3_5 165.0(5) . . . . ?
O1_5 C1_5 C2_5 F2_5 167.9(6) . . . . ?
C3_5 C1_5 C2_5 F2_5 45.5(7) . . . . ?
C4_5 C1_5 C2_5 F2_5 -74.2(7) . . . . ?
O1_5 C1_5 C2_5 F1_5 -73.4(7) . . . . ?
C3_5 C1_5 C2_5 F1_5 164.3(5) . . . . ?
C4_5 C1_5 C2_5 F1_5 44.6(7) . . . . ?
O1_5 C1_5 C3_5 F5_5 -77.7(6) . . . . ?
C2_5 C1_5 C3_5 F5_5 41.1(6) . . . . ?
C4_5 C1_5 C3_5 F5_5 161.4(5) . . . . ?
O1_5 C1_5 C3_5 F4_5 41.2(6) . . . . ?
C2_5 C1_5 C3_5 F4_5 160.0(5) . . . . ?
C4_5 C1_5 C3_5 F4_5 -79.8(5) . . . . ?
O1_5 C1_5 C3_5 F6_5 161.0(5) . . . . ?
C2_5 C1_5 C3_5 F6_5 -80.3(6) . . . . ?
C4_5 C1_5 C3_5 F6_5 40.0(6) . . . . ?
O1_5 C1_5 C4_5 F9_5 41.8(7) . . . . ?
C3_5 C1_5 C4_5 F9_5 165.4(5) . . . . ?
C2_5 C1_5 C4_5 F9_5 -75.3(6) . . . . ?
O1_5 C1_5 C4_5 F7_5 -77.6(6) . . . . ?
C3_5 C1_5 C4_5 F7_5 46.1(6) . . . . ?
C2_5 C1_5 C4_5 F7_5 165.3(5) . . . . ?
O1_5 C1_5 C4_5 F8_5 161.8(5) . . . . ?
C3_5 C1_5 C4_5 F8_5 -74.5(6) . . . . ?
C2_5 C1_5 C4_5 F8_5 44.7(7) . . . . ?
O1_3 Al1 O1_6 C1_6 -146.2(10) . . . . ?
O1_4 Al1 O1_6 C1_6 94.7(10) . . . . ?
O1_5 Al1 O1_6 C1_6 -23.9(11) . . . . ?
Al1 O1_6 C1_6 C2_6 -158.3(9) . . . . ?
Al1 O1_6 C1_6 C3_6 -38.1(13) . . . . ?
Al1 O1_6 C1_6 C4_6 81.0(11) . . . . ?
O1_6 C1_6 C2_6 F3_6 74.2(9) . . . . ?
C3_6 C1_6 C2_6 F3_6 -47.0(9) . . . . ?
C4_6 C1_6 C2_6 F3_6 -166.1(7) . . . . ?
O1_6 C1_6 C2_6 F2_6 -164.1(8) . . . . ?
C3_6 C1_6 C2_6 F2_6 74.7(10) . . . . ?
C4_6 C1_6 C2_6 F2_6 -44.3(11) . . . . ?
O1_6 C1_6 C2_6 F1_6 -42.5(11) . . . . ?
C3_6 C1_6 C2_6 F1_6 -163.7(8) . . . . ?
C4_6 C1_6 C2_6 F1_6 77.3(9) . . . . ?
O1_6 C1_6 C3_6 F5_6 -38.0(9) . . . . ?
C2_6 C1_6 C3_6 F5_6 82.2(8) . . . . ?
C4_6 C1_6 C3_6 F5_6 -157.5(7) . . . . ?
O1_6 C1_6 C3_6 F6_6 -158.3(7) . . . . ?
C2_6 C1_6 C3_6 F6_6 -38.2(9) . . . . ?
C4_6 C1_6 C3_6 F6_6 82.2(8) . . . . ?
O1_6 C1_6 C3_6 F4_6 80.9(7) . . . . ?
C2_6 C1_6 C3_6 F4_6 -158.9(6) . . . . ?
C4_6 C1_6 C3_6 F4_6 -38.6(8) . . . . ?
O1_6 C1_6 C4_6 F7_6 -44.7(8) . . . . ?
C2_6 C1_6 C4_6 F7_6 -164.4(7) . . . . ?
C3_6 C1_6 C4_6 F7_6 76.0(8) . . . . ?
O1_6 C1_6 C4_6 F9_6 78.8(8) . . . . ?
C2_6 C1_6 C4_6 F9_6 -41.0(9) . . . . ?
C3_6 C1_6 C4_6 F9_6 -160.6(7) . . . . ?
O1_6 C1_6 C4_6 F8_6 -164.0(6) . . . . ?
C2_6 C1_6 C4_6 F8_6 76.2(8) . . . . ?
C3_6 C1_6 C4_6 F8_6 -43.4(8) . . . . ?
O1_9 Al2 O1_7 C1_7 146.8(18) . . . . ?
O1_10 Al2 O1_7 C1_7 24.9(19) . . . . ?
O1_8 Al2 O1_7 C1_7 -88.9(18) . . . . ?
Al2 O1_7 C1_7 C2_7 -93.2(19) . . . . ?
Al2 O1_7 C1_7 C4_7 148.1(16) . . . . ?
Al2 O1_7 C1_7 C3_7 28(2) . . . . ?
O1_7 C1_7 C2_7 F3_7 47.8(15) . . . . ?
C4_7 C1_7 C2_7 F3_7 165.8(11) . . . . ?
C3_7 C1_7 C2_7 F3_7 -74.0(14) . . . . ?
O1_7 C1_7 C2_7 F1_7 -72.9(13) . . . . ?
C4_7 C1_7 C2_7 F1_7 45.1(14) . . . . ?
C3_7 C1_7 C2_7 F1_7 165.3(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 166.0(12) . . . . ?
C4_7 C1_7 C2_7 F2_7 -76.0(14) . . . . ?
C3_7 C1_7 C2_7 F2_7 44.2(14) . . . . ?
O1_7 C1_7 C3_7 F6_7 157.2(11) . . . . ?
C2_7 C1_7 C3_7 F6_7 -80.0(13) . . . . ?
C4_7 C1_7 C3_7 F6_7 39.2(14) . . . . ?
O1_7 C1_7 C3_7 F5_7 -80.7(11) . . . . ?
C2_7 C1_7 C3_7 F5_7 42.0(12) . . . . ?
C4_7 C1_7 C3_7 F5_7 161.2(9) . . . . ?
O1_7 C1_7 C3_7 F4_7 39.9(13) . . . . ?
C2_7 C1_7 C3_7 F4_7 162.6(10) . . . . ?
C4_7 C1_7 C3_7 F4_7 -78.2(11) . . . . ?
O1_7 C1_7 C4_7 F9_7 43.0(14) . . . . ?
C2_7 C1_7 C4_7 F9_7 -77.6(13) . . . . ?
C3_7 C1_7 C4_7 F9_7 162.6(11) . . . . ?
O1_7 C1_7 C4_7 F8_7 162.7(12) . . . . ?
C2_7 C1_7 C4_7 F8_7 42.1(14) . . . . ?
C3_7 C1_7 C4_7 F8_7 -77.6(13) . . . . ?
O1_7 C1_7 C4_7 F7_7 -73.6(13) . . . . ?
C2_7 C1_7 C4_7 F7_7 165.8(12) . . . . ?
C3_7 C1_7 C4_7 F7_7 46.0(13) . . . . ?
O1_7 Al2 O1_8 C1_8 -108.4(17) . . . . ?
O1_9 Al2 O1_8 C1_8 9.1(19) . . . . ?
O1_10 Al2 O1_8 C1_8 136.1(16) . . . . ?
Al2 O1_8 C1_8 C2_8 168.5(14) . . . . ?
Al2 O1_8 C1_8 C4_8 49(2) . . . . ?
Al2 O1_8 C1_8 C3_8 -69.8(18) . . . . ?
O1_8 C1_8 C2_8 F3_8 53.2(10) . . . . ?
C4_8 C1_8 C2_8 F3_8 173.9(8) . . . . ?
C3_8 C1_8 C2_8 F3_8 -69.6(9) . . . . ?
O1_8 C1_8 C2_8 F2_8 170.2(8) . . . . ?
C4_8 C1_8 C2_8 F2_8 -69.1(10) . . . . ?
C3_8 C1_8 C2_8 F2_8 47.4(10) . . . . ?
O1_8 C1_8 C2_8 F1_8 -75.5(9) . . . . ?
C4_8 C1_8 C2_8 F1_8 45.2(10) . . . . ?
C3_8 C1_8 C2_8 F1_8 161.6(8) . . . . ?
O1_8 C1_8 C3_8 F4_8 45.8(12) . . . . ?
C2_8 C1_8 C3_8 F4_8 165.8(9) . . . . ?
C4_8 C1_8 C3_8 F4_8 -76.2(11) . . . . ?
O1_8 C1_8 C3_8 F5_8 -79.8(11) . . . . ?
C2_8 C1_8 C3_8 F5_8 40.1(12) . . . . ?
C4_8 C1_8 C3_8 F5_8 158.2(9) . . . . ?
O1_8 C1_8 C3_8 F6_8 157.7(9) . . . . ?
C2_8 C1_8 C3_8 F6_8 -82.3(10) . . . . ?
C4_8 C1_8 C3_8 F6_8 35.8(11) . . . . ?
O1_8 C1_8 C4_8 F8_8 168.5(9) . . . . ?
C2_8 C1_8 C4_8 F8_8 50.2(11) . . . . ?
C3_8 C1_8 C4_8 F8_8 -68.8(10) . . . . ?
O1_8 C1_8 C4_8 F9_8 36.4(11) . . . . ?
C2_8 C1_8 C4_8 F9_8 -81.9(9) . . . . ?
C3_8 C1_8 C4_8 F9_8 159.1(8) . . . . ?
O1_8 C1_8 C4_8 F7_8 -73.0(10) . . . . ?
C2_8 C1_8 C4_8 F7_8 168.7(7) . . . . ?
C3_8 C1_8 C4_8 F7_8 49.6(9) . . . . ?
O1_7 Al2 O1_9 C1_9 -7(4) . . . . ?
O1_10 Al2 O1_9 C1_9 113(3) . . . . ?
O1_8 Al2 O1_9 C1_9 -122(3) . . . . ?
Al2 O1_9 C1_9 C2_9 163(3) . . . . ?
Al2 O1_9 C1_9 C4_9 36(4) . . . . ?
Al2 O1_9 C1_9 C3_9 -78(3) . . . . ?
O1_9 C1_9 C2_9 F1_9 -81.1(14) . . . . ?
C4_9 C1_9 C2_9 F1_9 46.6(13) . . . . ?
C3_9 C1_9 C2_9 F1_9 162.8(10) . . . . ?
O1_9 C1_9 C2_9 F3_9 41.9(17) . . . . ?
C4_9 C1_9 C2_9 F3_9 169.6(12) . . . . ?
C3_9 C1_9 C2_9 F3_9 -74.2(14) . . . . ?
O1_9 C1_9 C2_9 F2_9 160.6(12) . . . . ?
C4_9 C1_9 C2_9 F2_9 -71.6(13) . . . . ?
C3_9 C1_9 C2_9 F2_9 44.6(13) . . . . ?
O1_9 C1_9 C3_9 F6_9 155.5(15) . . . . ?
C2_9 C1_9 C3_9 F6_9 -80.8(14) . . . . ?
C4_9 C1_9 C3_9 F6_9 38.1(15) . . . . ?
O1_9 C1_9 C3_9 F4_9 37.3(15) . . . . ?
C2_9 C1_9 C3_9 F4_9 161.1(11) . . . . ?
C4_9 C1_9 C3_9 F4_9 -80.0(12) . . . . ?
O1_9 C1_9 C3_9 F5_9 -84.1(15) . . . . ?
C2_9 C1_9 C3_9 F5_9 39.6(14) . . . . ?
C4_9 C1_9 C3_9 F5_9 158.5(11) . . . . ?
O1_9 C1_9 C4_9 F8_9 166.9(13) . . . . ?
C2_9 C1_9 C4_9 F8_9 36.8(14) . . . . ?
C3_9 C1_9 C4_9 F8_9 -81.2(13) . . . . ?
O1_9 C1_9 C4_9 F9_9 46.9(15) . . . . ?
C2_9 C1_9 C4_9 F9_9 -83.2(12) . . . . ?
C3_9 C1_9 C4_9 F9_9 158.8(10) . . . . ?
O1_9 C1_9 C4_9 F7_9 -68.1(14) . . . . ?
C2_9 C1_9 C4_9 F7_9 161.8(10) . . . . ?
C3_9 C1_9 C4_9 F7_9 43.9(12) . . . . ?
O1_7 Al2 O1_10 C1_10 178.0(17) . . . . ?
O1_9 Al2 O1_10 C1_10 59(2) . . . . ?
O1_8 Al2 O1_10 C1_10 -70.9(18) . . . . ?
Al2 O1_10 C1_10 C3_10 175.7(15) . . . . ?
Al2 O1_10 C1_10 C4_10 -63(2) . . . . ?
Al2 O1_10 C1_10 C2_10 57(2) . . . . ?
O1_10 C1_10 C2_10 F2_10 164.1(9) . . . . ?
C3_10 C1_10 C2_10 F2_10 44.0(11) . . . . ?
C4_10 C1_10 C2_10 F2_10 -75.5(11) . . . . ?
O1_10 C1_10 C2_10 F3_10 44.7(11) . . . . ?
C3_10 C1_10 C2_10 F3_10 -75.3(10) . . . . ?
C4_10 C1_10 C2_10 F3_10 165.2(9) . . . . ?
O1_10 C1_10 C2_10 F1_10 -72.9(10) . . . . ?
C3_10 C1_10 C2_10 F1_10 167.0(8) . . . . ?
C4_10 C1_10 C2_10 F1_10 47.6(10) . . . . ?
O1_10 C1_10 C3_10 F5_10 -70.1(11) . . . . ?
C4_10 C1_10 C3_10 F5_10 168.7(9) . . . . ?
C2_10 C1_10 C3_10 F5_10 50.6(11) . . . . ?
O1_10 C1_10 C3_10 F4_10 46.9(11) . . . . ?
C4_10 C1_10 C3_10 F4_10 -74.3(10) . . . . ?
C2_10 C1_10 C3_10 F4_10 167.6(8) . . . . ?
O1_10 C1_10 C3_10 F6_10 166.3(9) . . . . ?
C4_10 C1_10 C3_10 F6_10 45.1(11) . . . . ?
C2_10 C1_10 C3_10 F6_10 -73.0(11) . . . . ?
O1_10 C1_10 C4_10 F7_10 -75.5(11) . . . . ?
C3_10 C1_10 C4_10 F7_10 45.8(12) . . . . ?
C2_10 C1_10 C4_10 F7_10 163.3(9) . . . . ?
O1_10 C1_10 C4_10 F9_10 47.6(12) . . . . ?
C3_10 C1_10 C4_10 F9_10 168.9(8) . . . . ?
C2_10 C1_10 C4_10 F9_10 -73.6(10) . . . . ?
O1_10 C1_10 C4_10 F8_10 163.0(9) . . . . ?
C3_10 C1_10 C4_10 F8_10 -75.8(11) . . . . ?
C2_10 C1_10 C4_10 F8_10 41.7(11) . . . . ?
Ga2 O1 C1_11 C6_11 9.2(6) . . . . ?
Ga2 O1 C1_11 C2_11 -171.5(3) . . . . ?
O1 C1_11 C2_11 C3_11 178.5(5) . . . . ?
C6_11 C1_11 C2_11 C3_11 -2.2(8) . . . . ?
C1_11 C2_11 C3_11 C4_11 1.4(9) . . . . ?
C2_11 C3_11 C4_11 C5_11 0.8(10) . . . . ?
C3_11 C4_11 C5_11 C6_11 -2.3(9) . . . . ?
O1 C1_11 C6_11 C5_11 180.0(5) . . . . ?
C2_11 C1_11 C6_11 C5_11 0.7(8) . . . . ?
C4_11 C5_11 C6_11 C1_11 1.5(9) . . . . ?
C1 P1 C1_2 C2_2 -62.8(4) . . . . ?
C1_12 P1 C1_2 C2_2 -175.3(4) . . . . ?
Ga2 P1 C1_2 C2_2 51.3(4) . . . . ?
C1 P1 C1_2 C6_2 173.5(3) . . . . ?
C1_12 P1 C1_2 C6_2 61.0(4) . . . . ?
Ga2 P1 C1_2 C6_2 -72.4(4) . . . . ?
C6_2 C1_2 C2_2 C3_2 -55.8(6) . . . . ?
P1 C1_2 C2_2 C3_2 -179.6(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 55.8(7) . . . . ?
C2_2 C3_2 C4_2 C5_2 -55.4(7) . . . . ?
C3_2 C4_2 C5_2 C6_2 55.9(7) . . . . ?
C4_2 C5_2 C6_2 C1_2 -56.1(7) . . . . ?
C2_2 C1_2 C6_2 C5_2 56.4(6) . . . . ?
P1 C1_2 C6_2 C5_2 -179.4(4) . . . . ?
C1 P1 C1_12 C2_12 56.8(4) . . . . ?
C1_2 P1 C1_12 C2_12 169.5(3) . . . . ?
Ga2 P1 C1_12 C2_12 -57.6(4) . . . . ?
C1 P1 C1_12 C6_12 -68.5(4) . . . . ?
C1_2 P1 C1_12 C6_12 44.2(4) . . . . ?
Ga2 P1 C1_12 C6_12 177.1(3) . . . . ?
C6_12 C1_12 C2_12 C3_12 -57.5(6) . . . . ?
P1 C1_12 C2_12 C3_12 175.7(4) . . . . ?
C1_12 C2_12 C3_12 C4_12 58.5(6) . . . . ?
C2_12 C3_12 C4_12 C5_12 -57.3(6) . . . . ?
C3_12 C4_12 C5_12 C6_12 55.7(7) . . . . ?
C4_12 C5_12 C6_12 C1_12 -55.3(7) . . . . ?
C2_12 C1_12 C6_12 C5_12 55.8(6) . . . . ?
P1 C1_12 C6_12 C5_12 -177.8(4) . . . . ?
C2 P2 C1_13 C2_13 -49.9(5) . . . . ?
C1_14 P2 C1_13 C2_13 -164.2(5) . . . . ?
Ga2 P2 C1_13 C2_13 64.5(5) . . . . ?
C2 P2 C1_13 C6_13 -174.7(5) . . . . ?
C1_14 P2 C1_13 C6_13 70.9(6) . . . . ?
Ga2 P2 C1_13 C6_13 -60.4(6) . . . . ?
C6_13 C1_13 C2_13 C3_13 -56.5(8) . . . . ?
P2 C1_13 C2_13 C3_13 178.3(5) . . . . ?
C1_13 C2_13 C3_13 C4_13 57.3(8) . . . . ?
C2_13 C3_13 C4_13 C5_13 -56.1(9) . . . . ?
C3_13 C4_13 C5_13 C6_13 55.8(10) . . . . ?
C4_13 C5_13 C6_13 C1_13 -56.4(11) . . . . ?
C2_13 C1_13 C6_13 C5_13 56.3(10) . . . . ?
P2 C1_13 C6_13 C5_13 -175.7(7) . . . . ?
C2 P2 C1_14 C6_14 -52.9(6) . . . . ?
C1_13 P2 C1_14 C6_14 59.1(6) . . . . ?
Ga2 P2 C1_14 C6_14 -167.3(5) . . . . ?
C2 P2 C1_14 C2_14 72.2(5) . . . . ?
C1_13 P2 C1_14 C2_14 -175.8(4) . . . . ?
Ga2 P2 C1_14 C2_14 -42.2(4) . . . . ?
C6_14 C1_14 C2_14 C3_14 -55.5(8) . . . . ?
P2 C1_14 C2_14 C3_14 176.9(5) . . . . ?
C1_14 C2_14 C3_14 C4_14 57.9(8) . . . . ?
C2_14 C3_14 C4_14 C5_14 -56.7(9) . . . . ?
C3_14 C4_14 C5_14 C6_14 55.2(10) . . . . ?
C2_14 C1_14 C6_14 C5_14 53.8(9) . . . . ?
P2 C1_14 C6_14 C5_14 179.9(6) . . . . ?
C4_14 C5_14 C6_14 C1_14 -54.8(11) . . . . ?
O1_19 Al2 O1_15 C1_15 34(2) . . . . ?
O1_16 Al2 O1_15 C1_15 169.5(18) . . . . ?
O1_17 Al2 O1_15 C1_15 -70.0(19) . . . . ?
Al2 O1_15 C1_15 C4_15 166.7(15) . . . . ?
Al2 O1_15 C1_15 C2_15 -72(2) . . . . ?
Al2 O1_15 C1_15 C3_15 48(2) . . . . ?
O1_15 C1_15 C2_15 F2_15 77.7(12) . . . . ?
C4_15 C1_15 C2_15 F2_15 -160.8(10) . . . . ?
C3_15 C1_15 C2_15 F2_15 -42.8(13) . . . . ?
O1_15 C1_15 C2_15 F1_15 -42.4(13) . . . . ?
C4_15 C1_15 C2_15 F1_15 79.0(12) . . . . ?
C3_15 C1_15 C2_15 F1_15 -163.0(9) . . . . ?
O1_15 C1_15 C2_15 F3_15 -163.8(10) . . . . ?
C4_15 C1_15 C2_15 F3_15 -42.3(13) . . . . ?
C3_15 C1_15 C2_15 F3_15 75.7(12) . . . . ?
O1_15 C1_15 C3_15 F4_15 72.3(12) . . . . ?
C4_15 C1_15 C3_15 F4_15 -47.2(12) . . . . ?
C2_15 C1_15 C3_15 F4_15 -165.9(9) . . . . ?
O1_15 C1_15 C3_15 F6_15 -165.0(10) . . . . ?
C4_15 C1_15 C3_15 F6_15 75.4(12) . . . . ?
C2_15 C1_15 C3_15 F6_15 -43.3(12) . . . . ?
O1_15 C1_15 C3_15 F5_15 -46.3(13) . . . . ?
C4_15 C1_15 C3_15 F5_15 -165.9(10) . . . . ?
C2_15 C1_15 C3_15 F5_15 75.4(12) . . . . ?
O1_15 C1_15 C4_15 F8_15 -42.2(14) . . . . ?
C2_15 C1_15 C4_15 F8_15 -164.6(10) . . . . ?
C3_15 C1_15 C4_15 F8_15 77.1(12) . . . . ?
O1_15 C1_15 C4_15 F7_15 -163.1(11) . . . . ?
C2_15 C1_15 C4_15 F7_15 74.6(13) . . . . ?
C3_15 C1_15 C4_15 F7_15 -43.8(13) . . . . ?
O1_15 C1_15 C4_15 F9_15 76.5(13) . . . . ?
C2_15 C1_15 C4_15 F9_15 -45.9(13) . . . . ?
C3_15 C1_15 C4_15 F9_15 -164.2(10) . . . . ?
O1_19 Al2 O1_16 C1_16 104(3) . . . . ?
O1_17 Al2 O1_16 C1_16 -157(2) . . . . ?
O1_15 Al2 O1_16 C1_16 -33(3) . . . . ?
Al2 O1_16 C1_16 C2_16 -175.6(19) . . . . ?
Al2 O1_16 C1_16 C3_16 -55(3) . . . . ?
Al2 O1_16 C1_16 C4_16 64(3) . . . . ?
O1_16 C1_16 C2_16 F3_16 47.6(16) . . . . ?
C3_16 C1_16 C2_16 F3_16 -72.9(15) . . . . ?
C4_16 C1_16 C2_16 F3_16 168.8(12) . . . . ?
O1_16 C1_16 C2_16 F2_16 161.0(15) . . . . ?
C3_16 C1_16 C2_16 F2_16 40.5(18) . . . . ?
C4_16 C1_16 C2_16 F2_16 -77.9(16) . . . . ?
O1_16 C1_16 C2_16 F1_16 -80.4(17) . . . . ?
C3_16 C1_16 C2_16 F1_16 159.1(14) . . . . ?
C4_16 C1_16 C2_16 F1_16 40.7(17) . . . . ?
O1_16 C1_16 C3_16 F6_16 162.5(15) . . . . ?
C2_16 C1_16 C3_16 F6_16 -77.2(17) . . . . ?
C4_16 C1_16 C3_16 F6_16 42.1(17) . . . . ?
O1_16 C1_16 C3_16 F4_16 48.6(16) . . . . ?
C2_16 C1_16 C3_16 F4_16 168.9(13) . . . . ?
C4_16 C1_16 C3_16 F4_16 -71.8(15) . . . . ?
O1_16 C1_16 C3_16 F5_16 -81.2(15) . . . . ?
C2_16 C1_16 C3_16 F5_16 39.2(16) . . . . ?
C4_16 C1_16 C3_16 F5_16 158.4(14) . . . . ?
O1_16 C1_16 C4_16 F7_16 -80.2(16) . . . . ?
C2_16 C1_16 C4_16 F7_16 159.5(13) . . . . ?
C3_16 C1_16 C4_16 F7_16 39.4(16) . . . . ?
O1_16 C1_16 C4_16 F9_16 45.1(18) . . . . ?
C2_16 C1_16 C4_16 F9_16 -75.2(16) . . . . ?
C3_16 C1_16 C4_16 F9_16 164.7(13) . . . . ?
O1_16 C1_16 C4_16 F8_16 165.5(15) . . . . ?
C2_16 C1_16 C4_16 F8_16 45.2(18) . . . . ?
C3_16 C1_16 C4_16 F8_16 -74.9(17) . . . . ?
O1_19 Al2 O1_17 C1_17 153(3) . . . . ?
O1_16 Al2 O1_17 C1_17 36(4) . . . . ?
O1_15 Al2 O1_17 C1_17 -84(3) . . . . ?
Al2 O1_17 C1_17 C3_17 146(3) . . . . ?
Al2 O1_17 C1_17 C2_17 22(4) . . . . ?
Al2 O1_17 C1_17 C4_17 -95(3) . . . . ?
O1_17 C1_17 C2_17 F1_17 -76.4(19) . . . . ?
C3_17 C1_17 C2_17 F1_17 158.5(14) . . . . ?
C4_17 C1_17 C2_17 F1_17 40.4(17) . . . . ?
O1_17 C1_17 C2_17 F3_17 50(2) . . . . ?
C3_17 C1_17 C2_17 F3_17 -74.8(19) . . . . ?
C4_17 C1_17 C2_17 F3_17 167.2(17) . . . . ?
O1_17 C1_17 C2_17 F2_17 162.5(16) . . . . ?
C3_17 C1_17 C2_17 F2_17 37.4(17) . . . . ?
C4_17 C1_17 C2_17 F2_17 -80.7(16) . . . . ?
O1_17 C1_17 C3_17 F6_17 154.4(16) . . . . ?
C2_17 C1_17 C3_17 F6_17 -80.0(17) . . . . ?
C4_17 C1_17 C3_17 F6_17 36.5(17) . . . . ?
O1_17 C1_17 C3_17 F4_17 40.6(18) . . . . ?
C2_17 C1_17 C3_17 F4_17 166.3(13) . . . . ?
C4_17 C1_17 C3_17 F4_17 -77.3(15) . . . . ?
O1_17 C1_17 C3_17 F5_17 -80.5(17) . . . . ?
C2_17 C1_17 C3_17 F5_17 45.1(16) . . . . ?
C4_17 C1_17 C3_17 F5_17 161.6(13) . . . . ?
O1_17 C1_17 C4_17 F7_17 -70.0(16) . . . . ?
C3_17 C1_17 C4_17 F7_17 51.1(16) . . . . ?
C2_17 C1_17 C4_17 F7_17 169.1(13) . . . . ?
O1_17 C1_17 C4_17 F8_17 160.5(14) . . . . ?
C3_17 C1_17 C4_17 F8_17 -78.4(15) . . . . ?
C2_17 C1_17 C4_17 F8_17 39.6(16) . . . . ?
O1_17 C1_17 C4_17 F9_17 46.7(15) . . . . ?
C3_17 C1_17 C4_17 F9_17 167.8(12) . . . . ?
C2_17 C1_17 C4_17 F9_17 -74.2(14) . . . . ?
O1_21 Al1 O1_18 C1_18 153(3) . . . . ?
Al1 O1_18 C1_18 C4_18 -86(3) . . . . ?
Al1 O1_18 C1_18 C2_18 35(3) . . . . ?
Al1 O1_18 C1_18 C3_18 154(2) . . . . ?
O1_18 C1_18 C2_18 F2_18 162.9(16) . . . . ?
C4_18 C1_18 C2_18 F2_18 -74.1(18) . . . . ?
C3_18 C1_18 C2_18 F2_18 45.3(19) . . . . ?
O1_18 C1_18 C2_18 F3_18 39(2) . . . . ?
C4_18 C1_18 C2_18 F3_18 161.7(15) . . . . ?
C3_18 C1_18 C2_18 F3_18 -78.9(17) . . . . ?
O1_18 C1_18 C2_18 F1_18 -78.3(17) . . . . ?
C4_18 C1_18 C2_18 F1_18 44.8(17) . . . . ?
C3_18 C1_18 C2_18 F1_18 164.1(13) . . . . ?
O1_18 C1_18 C3_18 F4_18 49.3(17) . . . . ?
C4_18 C1_18 C3_18 F4_18 -72.7(16) . . . . ?
C2_18 C1_18 C3_18 F4_18 168.6(13) . . . . ?
O1_18 C1_18 C3_18 F5_18 -70.8(18) . . . . ?
C4_18 C1_18 C3_18 F5_18 167.2(15) . . . . ?
C2_18 C1_18 C3_18 F5_18 48.5(18) . . . . ?
O1_18 C1_18 C3_18 F6_18 168.8(15) . . . . ?
C4_18 C1_18 C3_18 F6_18 46.7(18) . . . . ?
C2_18 C1_18 C3_18 F6_18 -71.9(17) . . . . ?
O1_18 C1_18 C4_18 F8_18 162.6(16) . . . . ?
C2_18 C1_18 C4_18 F8_18 41.0(19) . . . . ?
C3_18 C1_18 C4_18 F8_18 -78.6(18) . . . . ?
O1_18 C1_18 C4_18 F7_18 -75.6(19) . . . . ?
C2_18 C1_18 C4_18 F7_18 162.8(15) . . . . ?
C3_18 C1_18 C4_18 F7_18 43.2(19) . . . . ?
O1_18 C1_18 C4_18 F9_18 47(2) . . . . ?
C2_18 C1_18 C4_18 F9_18 -74.9(19) . . . . ?
C3_18 C1_18 C4_18 F9_18 165.5(16) . . . . ?
O1_16 Al2 O1_19 C1_19 -48(7) . . . . ?
O1_17 Al2 O1_19 C1_19 -158(6) . . . . ?
O1_15 Al2 O1_19 C1_19 84(6) . . . . ?
Al2 O1_19 C1_19 C4_19 -153(5) . . . . ?
Al2 O1_19 C1_19 C2_19 -17(7) . . . . ?
Al2 O1_19 C1_19 C3_19 92(6) . . . . ?
O1_19 C1_19 C2_19 F2_19 172(2) . . . . ?
C4_19 C1_19 C2_19 F2_19 -50(2) . . . . ?
C3_19 C1_19 C2_19 F2_19 67(2) . . . . ?
O1_19 C1_19 C2_19 F1_19 43(3) . . . . ?
C4_19 C1_19 C2_19 F1_19 -179(2) . . . . ?
C3_19 C1_19 C2_19 F1_19 -62(2) . . . . ?
O1_19 C1_19 C2_19 F3_19 -79(2) . . . . ?
C4_19 C1_19 C2_19 F3_19 59(2) . . . . ?
C3_19 C1_19 C2_19 F3_19 175.7(18) . . . . ?
O1_19 C1_19 C3_19 F5_19 -60(2) . . . . ?
C4_19 C1_19 C3_19 F5_19 178.0(18) . . . . ?
C2_19 C1_19 C3_19 F5_19 58(2) . . . . ?
O1_19 C1_19 C3_19 F6_19 177.0(18) . . . . ?
C4_19 C1_19 C3_19 F6_19 55(2) . . . . ?
C2_19 C1_19 C3_19 F6_19 -64.3(19) . . . . ?
O1_19 C1_19 C3_19 F4_19 66(2) . . . . ?
C4_19 C1_19 C3_19 F4_19 -56(2) . . . . ?
C2_19 C1_19 C3_19 F4_19 -175.7(19) . . . . ?
O1_19 C1_19 C4_19 F9_19 60(3) . . . . ?
C2_19 C1_19 C4_19 F9_19 -77(2) . . . . ?
C3_19 C1_19 C4_19 F9_19 168.5(19) . . . . ?
O1_19 C1_19 C4_19 F7_19 -60(3) . . . . ?
C2_19 C1_19 C4_19 F7_19 163(2) . . . . ?
C3_19 C1_19 C4_19 F7_19 49(2) . . . . ?
O1_19 C1_19 C4_19 F8_19 -164(2) . . . . ?
C2_19 C1_19 C4_19 F8_19 59(2) . . . . ?
C3_19 C1_19 C4_19 F8_19 -56(2) . . . . ?
O1_18 Al1 O1_21 C1_21 -58(3) . . . . ?
Al1 O1_21 C1_21 C4_21 -138(3) . . . . ?
Al1 O1_21 C1_21 C3_21 101(3) . . . . ?
Al1 O1_21 C1_21 C2_21 -20(4) . . . . ?
O1_21 C1_21 C2_21 F3_21 59(2) . . . . ?
C4_21 C1_21 C2_21 F3_21 178(2) . . . . ?
C3_21 C1_21 C2_21 F3_21 -61(2) . . . . ?
O1_21 C1_21 C2_21 F2_21 174(2) . . . . ?
C4_21 C1_21 C2_21 F2_21 -67(2) . . . . ?
C3_21 C1_21 C2_21 F2_21 54(2) . . . . ?
O1_21 C1_21 C2_21 F1_21 -74(2) . . . . ?
C4_21 C1_21 C2_21 F1_21 45(2) . . . . ?
C3_21 C1_21 C2_21 F1_21 166(2) . . . . ?
O1_21 C1_21 C3_21 F6_21 175(2) . . . . ?
C4_21 C1_21 C3_21 F6_21 55(2) . . . . ?
C2_21 C1_21 C3_21 F6_21 -64(2) . . . . ?
O1_21 C1_21 C3_21 F5_21 -68(2) . . . . ?
C4_21 C1_21 C3_21 F5_21 171.8(19) . . . . ?
C2_21 C1_21 C3_21 F5_21 53(2) . . . . ?
O1_21 C1_21 C3_21 F4_21 51(2) . . . . ?
C4_21 C1_21 C3_21 F4_21 -69(2) . . . . ?
C2_21 C1_21 C3_21 F4_21 172.0(19) . . . . ?
O1_21 C1_21 C4_21 F9_21 55(2) . . . . ?
C3_21 C1_21 C4_21 F9_21 175(2) . . . . ?
C2_21 C1_21 C4_21 F9_21 -65(2) . . . . ?
O1_21 C1_21 C4_21 F8_21 169(2) . . . . ?
C3_21 C1_21 C4_21 F8_21 -71(2) . . . . ?
C2_21 C1_21 C4_21 F8_21 49(2) . . . . ?
O1_21 C1_21 C4_21 F7_21 -68(2) . . . . ?
C3_21 C1_21 C4_21 F7_21 52(2) . . . . ?
C2_21 C1_21 C4_21 F7_21 172(2) . . . . ?
C1_23 P3 C1_1 C2_1 -144.6(4) . . . . ?
C3 P3 C1_1 C2_1 101.0(4) . . . . ?
Ga1 P3 C1_1 C2_1 -15.2(4) . . . . ?
C1_23 P3 C1_1 C6_1 89.5(4) . . . . ?
C3 P3 C1_1 C6_1 -24.8(4) . . . . ?
Ga1 P3 C1_1 C6_1 -141.0(3) . . . . ?
C6_1 C1_1 C2_1 C3_1 -58.4(6) . . . . ?
P3 C1_1 C2_1 C3_1 173.9(4) . . . . ?
C1_1 C2_1 C3_1 C4_1 56.8(6) . . . . ?
C2_1 C3_1 C4_1 C5_1 -53.9(7) . . . . ?
C3_1 C4_1 C5_1 C6_1 52.9(7) . . . . ?
C4_1 C5_1 C6_1 C1_1 -54.7(6) . . . . ?
C2_1 C1_1 C6_1 C5_1 57.5(6) . . . . ?
P3 C1_1 C6_1 C5_1 -175.3(4) . . . . ?
C4 P4 C1_20 C6_20 55.8(4) . . . . ?
C1_22 P4 C1_20 C6_20 170.8(3) . . . . ?
Ga1 P4 C1_20 C6_20 -58.8(4) . . . . ?
C4 P4 C1_20 C2_20 -179.6(3) . . . . ?
C1_22 P4 C1_20 C2_20 -64.6(4) . . . . ?
Ga1 P4 C1_20 C2_20 65.8(3) . . . . ?
C6_20 C1_20 C2_20 C3_20 -55.5(5) . . . . ?
P4 C1_20 C2_20 C3_20 178.6(3) . . . . ?
C1_20 C2_20 C3_20 C4_20 54.3(6) . . . . ?
C2_20 C3_20 C4_20 C5_20 -55.2(7) . . . . ?
C3_20 C4_20 C5_20 C6_20 57.3(7) . . . . ?
C4_20 C5_20 C6_20 C1_20 -57.4(6) . . . . ?
C2_20 C1_20 C6_20 C5_20 56.5(6) . . . . ?
P4 C1_20 C6_20 C5_20 -179.8(4) . . . . ?
C4 P4 C1_22 C2_22 66.9(4) . . . . ?
C1_20 P4 C1_22 C2_22 -46.5(4) . . . . ?
Ga1 P4 C1_22 C2_22 -177.1(3) . . . . ?
C4 P4 C1_22 C6_22 -60.4(4) . . . . ?
C1_20 P4 C1_22 C6_22 -173.7(3) . . . . ?
Ga1 P4 C1_22 C6_22 55.7(4) . . . . ?
C6_22 C1_22 C2_22 C3_22 -57.7(6) . . . . ?
P4 C1_22 C2_22 C3_22 174.8(4) . . . . ?
C1_22 C2_22 C3_22 C4_22 58.7(6) . . . . ?
C2_22 C3_22 C4_22 C5_22 -57.5(7) . . . . ?
C3_22 C4_22 C5_22 C6_22 56.0(7) . . . . ?
C4_22 C5_22 C6_22 C1_22 -55.3(6) . . . . ?
C2_22 C1_22 C6_22 C5_22 56.0(5) . . . . ?
P4 C1_22 C6_22 C5_22 -174.7(4) . . . . ?
C3 P3 C1_23 C2_23 -168.9(4) . . . . ?
C1_1 P3 C1_23 C2_23 74.7(4) . . . . ?
Ga1 P3 C1_23 C2_23 -61.7(4) . . . . ?
C3 P3 C1_23 C6_23 64.3(4) . . . . ?
C1_1 P3 C1_23 C6_23 -52.1(4) . . . . ?
Ga1 P3 C1_23 C6_23 171.5(3) . . . . ?
C6_23 C1_23 C2_23 C3_23 -56.1(6) . . . . ?
P3 C1_23 C2_23 C3_23 175.6(4) . . . . ?
C1_23 C2_23 C3_23 C4_23 56.0(7) . . . . ?
C2_23 C3_23 C4_23 C5_23 -54.7(7) . . . . ?
C3_23 C4_23 C5_23 C6_23 54.0(7) . . . . ?
C4_23 C5_23 C6_23 C1_23 -54.0(7) . . . . ?
C2_23 C1_23 C6_23 C5_23 55.0(6) . . . . ?
P3 C1_23 C6_23 C5_23 -178.2(4) . . . . ?

_vrf_PLAT090_P212121_a           
;PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........       6.05 Note  
RESPONSE: The poor data/parameter ratio is due to the non-centrosymmetric space 
group, deteriorating the data/parameter ratio by a factor of 2.
;
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P2_a
_database_code_depnum_ccdc_archive 'CCDC 2488261'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs university Freiburg
Germany
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C86 H99 Al2 F72 Ga2 N O8 P4'
_chemical_formula_moiety         '2(C16 Al F36 O4), C54 H99 Ga2 N P4'
_chemical_formula_weight         2959.94
_chemical_melting_point          ?
_chemical_absolute_configuration ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.550(4)
_cell_length_b                   27.099(5)
_cell_length_c                   15.504(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.200(7)
_cell_angle_gamma                90
_cell_volume                     5692(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9522
_cell_measurement_theta_min      2.4825
_cell_measurement_theta_max      26.3055
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated solution of the compounds in oDFB with n-pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_F_000             2964
_exptl_crystal_size_max          0.477
_exptl_crystal_size_mid          0.366
_exptl_crystal_size_min          0.319
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_T_max  0.7084
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            218575
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_theta_min         1.314
_diffrn_reflns_theta_max         27.632
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             26263
_reflns_number_gt                21253
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.951
_reflns_Friedel_fraction_max     0.987
_reflns_Friedel_fraction_full    0.993
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS 8.5.0.27 Release/2023-03-20 and APEX5 2023.9-4'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1804P)²+5.1984P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         26263
_refine_ls_number_parameters     3022
_refine_ls_number_restraints     44139
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0889
_refine_ls_wR_factor_ref         0.2781
_refine_ls_wR_factor_gt          0.2511
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.12(2)
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.25658(14) 0.33391(6) 0.17306(9) 0.0502(4) Uani 0.5409(19) 1 d . . P A
1
Ga2 Ga 0.21828(13) 0.33508(6) 0.32655(9) 0.0481(4) Uani 0.5409(19) 1 d D . P A
1
H1 H 0.285(11) 0.372(5) 0.365(11) 0.058 Uiso 0.5409(19) 1 d D U P A 1
Ga4 Ga 0.16113(16) 0.31578(7) 0.24767(11) 0.0479(5) Uani 0.4591(19) 1 d . . P A
2
Ga3 Ga 0.32085(15) 0.35745(6) 0.24720(11) 0.0467(5) Uani 0.4591(19) 1 d D . P A
2
H2 H 0.371(14) 0.375(8) 0.326(8) 0.056 Uiso 0.4591(19) 1 d D U P A 2
Al1 Al 0.10027(17) 0.69768(10) 0.21584(18) 0.0517(6) Uani 1 1 d . . . . .
Al2 Al 0.58395(16) 0.47703(9) 0.71773(15) 0.0450(5) Uani 1 1 d . . . . .
N1 N -0.018(2) 0.2884(9) 0.141(2) 0.070(3) Uani 0.5409(19) 1 d D U P A 1
C2 C 0.0548(15) 0.2967(9) 0.1175(14) 0.066(2) Uani 0.5409(19) 1 d D U P A 1
C1 C 0.1579(13) 0.3013(7) 0.0884(11) 0.064(2) Uani 0.5409(19) 1 d D U P A 1
H1A H 0.157199 0.320495 0.034045 0.076 Uiso 0.5409(19) 1 calc R U P A 1
H1B H 0.182485 0.267840 0.074824 0.076 Uiso 0.5409(19) 1 calc R U P A 1
N2 N -0.0991(14) 0.2844(8) 0.1561(14) 0.079(3) Uani 0.4591(19) 1 d D U P A 2
C4 C -0.025(2) 0.2974(13) 0.148(3) 0.068(2) Uani 0.4591(19) 1 d D U P A 2
C3 C 0.0859(17) 0.2959(11) 0.1350(17) 0.067(2) Uani 0.4591(19) 1 d D U P A 2
H3A H 0.103598 0.318817 0.088047 0.080 Uiso 0.4591(19) 1 calc R U P A 2
H3B H 0.105746 0.262197 0.117873 0.080 Uiso 0.4591(19) 1 calc R U P A 2
O1_1 O 0.1487(9) 0.6862(5) 0.3125(7) 0.085(3) Uani 0.759(10) 1 d D U P B 1
C1_1 C 0.2194(9) 0.6930(5) 0.3740(8) 0.076(2) Uani 0.759(10) 1 d D U P B 1
C2_1 C 0.1812(13) 0.6675(6) 0.4548(9) 0.101(3) Uani 0.759(10) 1 d D U P B 1
F1_1 F 0.2321(12) 0.6796(6) 0.5268(7) 0.121(4) Uani 0.759(10) 1 d D U P B 1
F2_1 F 0.1924(13) 0.6180(5) 0.4510(11) 0.137(5) Uani 0.759(10) 1 d D U P B 1
F3_1 F 0.0868(11) 0.6739(8) 0.4687(10) 0.123(4) Uani 0.759(10) 1 d D U P B 1
C3_1 C 0.3194(11) 0.6705(6) 0.3441(10) 0.095(3) Uani 0.759(10) 1 d D U P B 1
F4_1 F 0.3679(8) 0.7029(6) 0.2963(9) 0.118(4) Uani 0.759(10) 1 d D U P B 1
F5_1 F 0.2968(10) 0.6300(5) 0.2976(10) 0.118(4) Uani 0.759(10) 1 d D U P B 1
F6_1 F 0.3757(9) 0.6562(6) 0.4107(9) 0.120(4) Uani 0.759(10) 1 d D U P B 1
C4_1 C 0.2334(11) 0.7485(5) 0.3954(9) 0.089(3) Uani 0.759(10) 1 d D U P B 1
F7_1 F 0.2349(7) 0.7742(4) 0.3220(6) 0.085(2) Uani 0.759(10) 1 d D U P B 1
F8_1 F 0.3209(9) 0.7571(5) 0.4359(7) 0.107(3) Uani 0.759(10) 1 d D U P B 1
F9_1 F 0.1582(11) 0.7645(5) 0.4403(9) 0.115(4) Uani 0.759(10) 1 d D U P B 1
O1_2 O 0.1912(9) 0.6878(4) 0.1435(6) 0.090(3) Uani 0.860(9) 1 d D U P B 1
C1_2 C 0.2346(9) 0.7009(5) 0.0681(7) 0.082(2) Uani 0.860(9) 1 d D U P B 1
C2_2 C 0.3259(11) 0.6669(6) 0.0610(9) 0.115(4) Uani 0.860(9) 1 d D U P B 1
F1_2 F 0.3951(9) 0.6817(7) 0.1153(8) 0.157(6) Uani 0.860(9) 1 d D U P B 1
F2_2 F 0.3667(8) 0.6698(5) -0.0167(7) 0.117(4) Uani 0.860(9) 1 d D U P B 1
F3_2 F 0.3064(11) 0.6202(5) 0.0847(10) 0.140(4) Uani 0.860(9) 1 d D U P B 1
C3_2 C 0.1677(10) 0.6892(5) -0.0108(8) 0.092(3) Uani 0.860(9) 1 d D U P B 1
F4_2 F 0.0754(7) 0.7062(4) 0.0039(7) 0.099(3) Uani 0.860(9) 1 d D U P B 1
F5_2 F 0.1632(10) 0.6414(4) -0.0274(7) 0.109(4) Uani 0.860(9) 1 d D U P B 1
F6_2 F 0.2011(9) 0.7116(5) -0.0821(6) 0.116(3) Uani 0.860(9) 1 d D U P B 1
C4_2 C 0.2613(10) 0.7567(5) 0.0697(8) 0.092(3) Uani 0.860(9) 1 d D U P B 1
F7_2 F 0.1854(8) 0.7835(3) 0.0488(7) 0.100(3) Uani 0.860(9) 1 d D U P B 1
F8_2 F 0.3369(9) 0.7672(6) 0.0164(10) 0.125(5) Uani 0.860(9) 1 d D U P B 1
F9_2 F 0.2950(9) 0.7690(5) 0.1475(7) 0.111(3) Uani 0.860(9) 1 d D U P B 1
O1_3 O 0.6280(10) 0.4899(5) 0.8189(7) 0.065(3) Uani 0.564(13) 1 d D U P C 1
C1_3 C 0.6974(12) 0.4842(5) 0.8815(10) 0.073(3) Uani 0.564(13) 1 d D U P C 1
C2_3 C 0.7115(12) 0.4293(6) 0.8998(9) 0.073(3) Uani 0.564(13) 1 d D U P C 1
F1_3 F 0.6354(12) 0.4121(6) 0.9471(10) 0.093(4) Uani 0.564(13) 1 d D U P C 1
F2_3 F 0.7916(12) 0.4191(7) 0.9482(9) 0.093(4) Uani 0.564(13) 1 d D U P C 1
F3_3 F 0.7126(8) 0.4008(4) 0.8307(6) 0.069(3) Uani 0.564(13) 1 d D U P C 1
C3_3 C 0.7942(14) 0.5105(8) 0.8562(12) 0.095(4) Uani 0.564(13) 1 d D U P C 1
F4_3 F 0.7687(17) 0.5508(7) 0.8105(13) 0.113(5) Uani 0.564(13) 1 d D U P C 1
F5_3 F 0.8490(14) 0.4817(7) 0.8053(12) 0.103(4) Uani 0.564(13) 1 d D U P C 1
F6_3 F 0.8491(18) 0.5214(11) 0.9243(12) 0.141(8) Uani 0.564(13) 1 d D U P C 1
C4_3 C 0.6558(17) 0.5123(7) 0.9612(11) 0.094(4) Uani 0.564(13) 1 d D U P C 1
F7_3 F 0.6753(18) 0.5602(5) 0.9464(12) 0.140(6) Uani 0.564(13) 1 d D U P C 1
F8_3 F 0.708(2) 0.5007(9) 1.0313(11) 0.122(6) Uani 0.564(13) 1 d D U P C 1
F9_3 F 0.5613(15) 0.5029(8) 0.9724(12) 0.108(5) Uani 0.564(13) 1 d D U P C 1
O1_4 O 0.5360(11) 0.4201(6) 0.7030(16) 0.061(4) Uani 0.617(14) 1 d D U P C 1
C1_4 C 0.4588(10) 0.3892(5) 0.7148(10) 0.066(2) Uani 0.617(14) 1 d D U P C 1
C2_4 C 0.4107(11) 0.3781(6) 0.6262(11) 0.080(3) Uani 0.617(14) 1 d D U P C 1
F1_4 F 0.3959(9) 0.4214(5) 0.5831(9) 0.087(3) Uani 0.617(14) 1 d D U P C 1
F2_4 F 0.3221(8) 0.3573(6) 0.6320(11) 0.105(4) Uani 0.617(14) 1 d D U P C 1
F3_4 F 0.4672(11) 0.3511(5) 0.5772(10) 0.095(4) Uani 0.617(14) 1 d D U P C 1
C3_4 C 0.4973(13) 0.3398(6) 0.7544(12) 0.092(4) Uani 0.617(14) 1 d D U P C 1
F4_4 F 0.5203(13) 0.3455(7) 0.8382(11) 0.112(4) Uani 0.617(14) 1 d D U P C 1
F5_4 F 0.5796(11) 0.3262(5) 0.7157(11) 0.103(4) Uani 0.617(14) 1 d D U P C 1
F6_4 F 0.4332(13) 0.3026(5) 0.7424(13) 0.122(5) Uani 0.617(14) 1 d D U P C 1
C4_4 C 0.3816(12) 0.4100(7) 0.7774(12) 0.078(3) Uani 0.617(14) 1 d D U P C 1
F7_4 F 0.4304(12) 0.4326(8) 0.8431(13) 0.083(4) Uani 0.617(14) 1 d D U P C 1
F8_4 F 0.3234(15) 0.3740(7) 0.8088(15) 0.096(5) Uani 0.617(14) 1 d D U P C 1
F9_4 F 0.3237(9) 0.4438(5) 0.7358(11) 0.085(4) Uani 0.617(14) 1 d D U P C 1
O1_5 O 0.0087(8) 0.6558(4) 0.1920(9) 0.068(3) Uani 0.672(8) 1 d D U P B 1
C1_5 C -0.0220(9) 0.6095(4) 0.1955(8) 0.062(2) Uani 0.672(8) 1 d D U P B 1
C2_5 C -0.1026(12) 0.6045(5) 0.2644(10) 0.089(3) Uani 0.672(8) 1 d D U P B 1
F1_5 F -0.0729(13) 0.6279(6) 0.3361(9) 0.120(5) Uani 0.672(8) 1 d D U P B 1
F2_5 F -0.1127(14) 0.5562(5) 0.2882(11) 0.113(5) Uani 0.672(8) 1 d D U P B 1
F3_5 F -0.1871(10) 0.6232(5) 0.2380(10) 0.104(4) Uani 0.672(8) 1 d D U P B 1
C3_5 C -0.0662(9) 0.5959(5) 0.1053(8) 0.070(2) Uani 0.672(8) 1 d D U P B 1
F4_5 F 0.0012(7) 0.5857(5) 0.0493(6) 0.081(3) Uani 0.672(8) 1 d D U P B 1
F5_5 F -0.1223(7) 0.6304(4) 0.0738(8) 0.089(3) Uani 0.672(8) 1 d D U P B 1
F6_5 F -0.1250(8) 0.5560(4) 0.1101(7) 0.085(3) Uani 0.672(8) 1 d D U P B 1
C4_5 C 0.0638(11) 0.5737(5) 0.2153(9) 0.070(3) Uani 0.672(8) 1 d D U P B 1
F7_5 F 0.1455(7) 0.5861(4) 0.1726(8) 0.085(3) Uani 0.672(8) 1 d D U P B 1
F8_5 F 0.0413(10) 0.5266(3) 0.1965(7) 0.083(3) Uani 0.672(8) 1 d D U P B 1
F9_5 F 0.0873(12) 0.5733(5) 0.3004(7) 0.111(4) Uani 0.672(8) 1 d D U P B 1
O1_6 O 0.0539(10) 0.7574(5) 0.2028(15) 0.062(3) Uani 0.672(12) 1 d D U P B 1
C1_6 C -0.0246(10) 0.7870(5) 0.2137(9) 0.071(2) Uani 0.672(12) 1 d D U P B 1
C2_6 C 0.0139(12) 0.8375(5) 0.2483(12) 0.100(4) Uani 0.672(12) 1 d D U P B 1
F1_6 F 0.0315(12) 0.8331(7) 0.3331(10) 0.125(4) Uani 0.672(12) 1 d D U P B 1
F2_6 F -0.0535(12) 0.8729(4) 0.2341(13) 0.131(5) Uani 0.672(12) 1 d D U P B 1
F3_6 F 0.0966(10) 0.8501(5) 0.2089(11) 0.114(4) Uani 0.672(12) 1 d D U P B 1
C3_6 C -0.0745(11) 0.7955(5) 0.1237(11) 0.082(3) Uani 0.672(12) 1 d D U P B 1
F4_6 F -0.0870(8) 0.7520(4) 0.0848(8) 0.085(3) Uani 0.672(12) 1 d D U P B 1
F5_6 F -0.0179(11) 0.8258(5) 0.0787(11) 0.113(5) Uani 0.672(12) 1 d D U P B 1
F6_6 F -0.1628(9) 0.8159(6) 0.1291(10) 0.111(4) Uani 0.672(12) 1 d D U P B 1
C4_6 C -0.1011(11) 0.7657(6) 0.2746(11) 0.081(3) Uani 0.672(12) 1 d D U P B 1
F7_6 F -0.1617(8) 0.7335(5) 0.2342(9) 0.090(3) Uani 0.672(12) 1 d D U P B 1
F8_6 F -0.1576(13) 0.8009(6) 0.3100(14) 0.112(5) Uani 0.672(12) 1 d D U P B 1
F9_6 F -0.0551(10) 0.7424(7) 0.3410(10) 0.085(3) Uani 0.672(12) 1 d D U P B 1
O1_7 O 0.4952(8) 0.5201(4) 0.6960(10) 0.066(3) Uani 0.638(9) 1 d D U P C 1
C1_7 C 0.4628(10) 0.5675(5) 0.6969(9) 0.068(2) Uani 0.638(9) 1 d D U P C 1
C2_7 C 0.5476(13) 0.6034(5) 0.7188(10) 0.083(3) Uani 0.638(9) 1 d D U P C 1
F1_7 F 0.5691(16) 0.6014(5) 0.8049(8) 0.135(6) Uani 0.638(9) 1 d D U P C 1
F2_7 F 0.5283(13) 0.6502(4) 0.6971(9) 0.105(4) Uani 0.638(9) 1 d D U P C 1
F3_7 F 0.6298(10) 0.5906(5) 0.6787(10) 0.091(4) Uani 0.638(9) 1 d D U P C 1
C3_7 C 0.4228(10) 0.5812(5) 0.6060(9) 0.076(3) Uani 0.638(9) 1 d D U P C 1
F4_7 F 0.3652(8) 0.5451(4) 0.5734(8) 0.087(3) Uani 0.638(9) 1 d D U P C 1
F5_7 F 0.4929(9) 0.5875(7) 0.5502(8) 0.100(4) Uani 0.638(9) 1 d D U P C 1
F6_7 F 0.3676(10) 0.6223(5) 0.6106(9) 0.101(4) Uani 0.638(9) 1 d D U P C 1
C4_7 C 0.3811(13) 0.5719(6) 0.7641(10) 0.088(3) Uani 0.638(9) 1 d D U P C 1
F7_7 F 0.2992(11) 0.5515(6) 0.7360(11) 0.109(4) Uani 0.638(9) 1 d D U P C 1
F8_7 F 0.3653(17) 0.6196(6) 0.7892(13) 0.119(6) Uani 0.638(9) 1 d D U P C 1
F9_7 F 0.4063(14) 0.5479(7) 0.8384(9) 0.116(5) Uani 0.638(9) 1 d D U P C 1
O1_8 O 0.6672(8) 0.4854(4) 0.6391(6) 0.097(3) Uani 1 1 d D U . D 1
C1_8 C 0.7167(8) 0.4718(4) 0.5702(7) 0.089(3) Uani 1 1 d D U . D 1
C2_8 C 0.8120(10) 0.5057(6) 0.5623(9) 0.126(5) Uani 1 1 d D U . D 1
F1_8 F 0.7880(8) 0.5513(4) 0.5729(8) 0.134(4) Uani 1 1 d D U . D 1
F2_8 F 0.8438(9) 0.5022(5) 0.4810(7) 0.167(6) Uani 1 1 d D U . D 1
F3_8 F 0.8799(8) 0.4891(7) 0.6189(8) 0.171(6) Uani 1 1 d D U . D 1
C3_8 C 0.7496(10) 0.4181(5) 0.5774(8) 0.106(4) Uani 1 1 d D U . D 1
F4_8 F 0.6690(10) 0.3878(4) 0.5556(7) 0.143(4) Uani 1 1 d D U . D 1
F5_8 F 0.7708(10) 0.4062(5) 0.6574(6) 0.142(4) Uani 1 1 d D U . D 1
F6_8 F 0.8197(8) 0.4046(4) 0.5245(7) 0.126(4) Uani 1 1 d D U . D 1
C4_8 C 0.6511(10) 0.4815(6) 0.4919(8) 0.114(4) Uani 1 1 d D U . D 1
F7_8 F 0.5567(7) 0.4657(5) 0.5061(7) 0.128(3) Uani 1 1 d D U . D 1
F8_8 F 0.6808(12) 0.4541(7) 0.4229(6) 0.199(8) Uani 1 1 d D U . D 1
F9_8 F 0.6510(8) 0.5288(4) 0.4698(7) 0.134(4) Uani 1 1 d D U . D 1
P1_9 P 0.0581(3) 0.36605(14) 0.3699(3) 0.0449(9) Uani 0.5409(19) 1 d D U P A 1
P2_9 P 0.1677(3) 0.25727(14) 0.3873(3) 0.0441(8) Uani 0.5409(19) 1 d D U P A 1
C1_9 C 0.0657(10) 0.4152(4) 0.4495(8) 0.043(2) Uani 0.5409(19) 1 d D U P A 1
H1_9 H -0.003773 0.425381 0.460665 0.052 Uiso 0.5409(19) 1 calc R U P A 1
C2_9 C 0.1096(11) 0.3978(5) 0.5368(7) 0.049(3) Uani 0.5409(19) 1 d D U P A 1
H2A_9 H 0.070923 0.369476 0.557984 0.059 Uiso 0.5409(19) 1 calc R U P A 1
H2B_9 H 0.178320 0.386631 0.528869 0.059 Uiso 0.5409(19) 1 calc R U P A 1
C3_9 C 0.1086(11) 0.4388(6) 0.6033(8) 0.056(3) Uani 0.5409(19) 1 d D U P A 1
H3A_9 H 0.039376 0.447258 0.616189 0.067 Uiso 0.5409(19) 1 calc R U P A 1
H3B_9 H 0.140877 0.427001 0.657312 0.067 Uiso 0.5409(19) 1 calc R U P A 1
C4_9 C 0.1608(13) 0.4842(6) 0.5727(10) 0.069(4) Uani 0.5409(19) 1 d D U P A 1
H4A_9 H 0.216166 0.491908 0.613162 0.083 Uiso 0.5409(19) 1 calc R U P A 1
H4B_9 H 0.114434 0.512418 0.572850 0.083 Uiso 0.5409(19) 1 calc R U P A 1
C5_9 C 0.2004(16) 0.4775(9) 0.4827(11) 0.093(5) Uani 0.5409(19) 1 d D U P A 1
H5A_9 H 0.229259 0.509030 0.462951 0.111 Uiso 0.5409(19) 1 calc R U P A 1
H5B_9 H 0.253322 0.452370 0.484057 0.111 Uiso 0.5409(19) 1 calc R U P A 1
C6_9 C 0.1194(13) 0.4616(5) 0.4198(9) 0.061(3) Uani 0.5409(19) 1 d D U P A 1
H6A_9 H 0.148562 0.455294 0.362833 0.073 Uiso 0.5409(19) 1 calc R U P A 1
H6B_9 H 0.071103 0.488797 0.412823 0.073 Uiso 0.5409(19) 1 calc R U P A 1
C7_9 C -0.0354(11) 0.3820(5) 0.2859(9) 0.056(3) Uani 0.5409(19) 1 d D U P A 1
H7_9 H -0.053328 0.350538 0.255692 0.067 Uiso 0.5409(19) 1 calc R U P A 1
C8_9 C -0.1316(10) 0.4035(6) 0.3201(8) 0.054(3) Uani 0.5409(19) 1 d D U P A 1
H8A_9 H -0.158533 0.380943 0.363984 0.064 Uiso 0.5409(19) 1 calc R U P A 1
H8B_9 H -0.117613 0.435605 0.348386 0.064 Uiso 0.5409(19) 1 calc R U P A 1
C9_9 C -0.2081(11) 0.4109(11) 0.2476(12) 0.077(4) Uani 0.5409(19) 1 d D U P A 1
H9A_9 H -0.225436 0.378603 0.221466 0.092 Uiso 0.5409(19) 1 calc R U P A 1
H9B_9 H -0.268863 0.425480 0.271167 0.092 Uiso 0.5409(19) 1 calc R U P A 1
C10_9 C -0.1667(13) 0.4448(7) 0.1794(10) 0.071(4) Uani 0.5409(19) 1 d D U P A 1
H10A_9 H -0.154748 0.477863 0.204562 0.085 Uiso 0.5409(19) 1 calc R U P A 1
H10B_9 H -0.215320 0.448281 0.131250 0.085 Uiso 0.5409(19) 1 calc R U P A 1
C11_9 C -0.0708(13) 0.4242(9) 0.1455(10) 0.078(4) Uani 0.5409(19) 1 d D U P A 1
H11A_9 H -0.043486 0.447453 0.102965 0.094 Uiso 0.5409(19) 1 calc R U P A 1
H11B_9 H -0.084110 0.392484 0.115705 0.094 Uiso 0.5409(19) 1 calc R U P A 1
C12_9 C 0.0054(11) 0.4159(7) 0.2188(11) 0.068(4) Uani 0.5409(19) 1 d D U P A 1
H12A_9 H 0.066125 0.401315 0.195091 0.082 Uiso 0.5409(19) 1 calc R U P A 1
H12B_9 H 0.023032 0.447924 0.245624 0.082 Uiso 0.5409(19) 1 calc R U P A 1
C13_9 C 0.0021(12) 0.3130(6) 0.4219(11) 0.047(4) Uani 0.5409(19) 1 d D U P A 1
H13A_9 H -0.042962 0.325135 0.466646 0.056 Uiso 0.5409(19) 1 calc R U P A 1
H13B_9 H -0.038437 0.295021 0.378314 0.056 Uiso 0.5409(19) 1 calc R U P A 1
C14_9 C 0.0748(12) 0.2764(6) 0.4641(9) 0.043(3) Uani 0.5409(19) 1 d D U P A 1
H14A_9 H 0.038414 0.247120 0.484471 0.052 Uiso 0.5409(19) 1 calc R U P A 1
H14B_9 H 0.107616 0.292134 0.514738 0.052 Uiso 0.5409(19) 1 calc R U P A 1
C15_9 C 0.2621(9) 0.2207(5) 0.4457(8) 0.046(2) Uani 0.5409(19) 1 d D U P A 1
H15_9 H 0.305744 0.205474 0.401797 0.055 Uiso 0.5409(19) 1 calc R U P A 1
C16_9 C 0.3264(11) 0.2531(5) 0.5038(9) 0.054(3) Uani 0.5409(19) 1 d D U P A 1
H16A_9 H 0.359577 0.278280 0.468300 0.065 Uiso 0.5409(19) 1 calc R U P A 1
H16B_9 H 0.284229 0.270549 0.545318 0.065 Uiso 0.5409(19) 1 calc R U P A 1
C17_9 C 0.4040(12) 0.2233(6) 0.5531(13) 0.067(4) Uani 0.5409(19) 1 d D U P A 1
H17A_9 H 0.451574 0.209602 0.511875 0.081 Uiso 0.5409(19) 1 calc R U P A 1
H17B_9 H 0.440677 0.245395 0.593222 0.081 Uiso 0.5409(19) 1 calc R U P A 1
C18_9 C 0.3596(12) 0.1816(5) 0.6037(10) 0.062(3) Uani 0.5409(19) 1 d D U P A 1
H18A_9 H 0.318770 0.195296 0.650163 0.075 Uiso 0.5409(19) 1 calc R U P A 1
H18B_9 H 0.413167 0.161767 0.630934 0.075 Uiso 0.5409(19) 1 calc R U P A 1
C19_9 C 0.2962(12) 0.1486(5) 0.5459(10) 0.054(3) Uani 0.5409(19) 1 d D U P A 1
H19A_9 H 0.338380 0.132039 0.503214 0.065 Uiso 0.5409(19) 1 calc R U P A 1
H19B_9 H 0.264842 0.122759 0.581193 0.065 Uiso 0.5409(19) 1 calc R U P A 1
C20_9 C 0.2171(12) 0.1784(7) 0.4991(13) 0.052(3) Uani 0.5409(19) 1 d D U P A 1
H20A_9 H 0.171537 0.192457 0.541699 0.063 Uiso 0.5409(19) 1 calc R U P A 1
H20B_9 H 0.178426 0.156406 0.460204 0.063 Uiso 0.5409(19) 1 calc R U P A 1
C21_9 C 0.1049(9) 0.2194(5) 0.3060(8) 0.048(2) Uani 0.5409(19) 1 d D U P A 1
H21_9 H 0.074213 0.243296 0.264285 0.057 Uiso 0.5409(19) 1 calc R U P A 1
C22_9 C 0.1782(10) 0.1896(5) 0.2534(9) 0.055(3) Uani 0.5409(19) 1 d D U P A 1
H22A_9 H 0.229441 0.211891 0.230929 0.066 Uiso 0.5409(19) 1 calc R U P A 1
H22B_9 H 0.211240 0.164854 0.291158 0.066 Uiso 0.5409(19) 1 calc R U P A 1
C23_9 C 0.1261(12) 0.1633(6) 0.1783(10) 0.069(3) Uani 0.5409(19) 1 d D U P A 1
H23A_9 H 0.174459 0.142843 0.147371 0.082 Uiso 0.5409(19) 1 calc R U P A 1
H23B_9 H 0.099321 0.188196 0.137290 0.082 Uiso 0.5409(19) 1 calc R U P A 1
C24_9 C 0.0419(14) 0.1305(7) 0.2093(13) 0.068(4) Uani 0.5409(19) 1 d D U P A 1
H24A_9 H 0.008281 0.114878 0.158937 0.082 Uiso 0.5409(19) 1 calc R U P A 1
H24B_9 H 0.069120 0.103939 0.246615 0.082 Uiso 0.5409(19) 1 calc R U P A 1
C25_9 C -0.0323(11) 0.1606(7) 0.2593(12) 0.071(4) Uani 0.5409(19) 1 d D U P A 1
H25A_9 H -0.084250 0.138582 0.281648 0.085 Uiso 0.5409(19) 1 calc R U P A 1
H25B_9 H -0.064215 0.185211 0.220727 0.085 Uiso 0.5409(19) 1 calc R U P A 1
C26_9 C 0.0209(11) 0.1871(6) 0.3352(10) 0.059(3) Uani 0.5409(19) 1 d D U P A 1
H26A_9 H -0.027307 0.207674 0.366043 0.071 Uiso 0.5409(19) 1 calc R U P A 1
H26B_9 H 0.047098 0.162095 0.376295 0.071 Uiso 0.5409(19) 1 calc R U P A 1
P1_10 P 0.4203(3) 0.30289(14) 0.1329(3) 0.0487(9) Uani 0.5409(19) 1 d D U P A 1
P2_10 P 0.3142(3) 0.41208(13) 0.1149(2) 0.0444(8) Uani 0.5409(19) 1 d D U P A 1
C1_10 C 0.4215(11) 0.2549(4) 0.0482(8) 0.051(3) Uani 0.5409(19) 1 d D U P A 1
H1_10 H 0.492346 0.246075 0.039747 0.061 Uiso 0.5409(19) 1 calc R U P A 1
C2_10 C 0.3817(13) 0.2722(5) -0.0385(8) 0.054(3) Uani 0.5409(19) 1 d D U P A 1
H2A_10 H 0.421621 0.300489 -0.058093 0.065 Uiso 0.5409(19) 1 calc R U P A 1
H2B_10 H 0.313045 0.283896 -0.031809 0.065 Uiso 0.5409(19) 1 calc R U P A 1
C3_10 C 0.3827(13) 0.2320(5) -0.1075(8) 0.058(3) Uani 0.5409(19) 1 d D U P A 1
H3A_10 H 0.350633 0.244508 -0.161150 0.070 Uiso 0.5409(19) 1 calc R U P A 1
H3B_10 H 0.451766 0.223313 -0.120449 0.070 Uiso 0.5409(19) 1 calc R U P A 1
C4_10 C 0.3287(16) 0.1866(6) -0.0768(10) 0.074(4) Uani 0.5409(19) 1 d D U P A 1
H4A_10 H 0.332435 0.160486 -0.121203 0.088 Uiso 0.5409(19) 1 calc R U P A 1
H4B_10 H 0.258242 0.194787 -0.068929 0.088 Uiso 0.5409(19) 1 calc R U P A 1
C5_10 C 0.3730(17) 0.1674(4) 0.0083(10) 0.065(3) Uani 0.5409(19) 1 d D U P A 1
H5A_10 H 0.442200 0.157099 -0.000267 0.077 Uiso 0.5409(19) 1 calc R U P A 1
H5B_10 H 0.335295 0.138320 0.027620 0.077 Uiso 0.5409(19) 1 calc R U P A 1
C6_10 C 0.3700(14) 0.2078(5) 0.0774(8) 0.061(3) Uani 0.5409(19) 1 d D U P A 1
H6A_10 H 0.300382 0.215346 0.090463 0.073 Uiso 0.5409(19) 1 calc R U P A 1
H6B_10 H 0.402555 0.195541 0.131053 0.073 Uiso 0.5409(19) 1 calc R U P A 1
C7_10 C 0.4993(11) 0.2824(6) 0.2243(8) 0.060(3) Uani 0.5409(19) 1 d D U P A 1
H7_10 H 0.467894 0.252077 0.248103 0.073 Uiso 0.5409(19) 1 calc R U P A 1
C8_10 C 0.6019(13) 0.2676(8) 0.1967(10) 0.058(4) Uani 0.5409(19) 1 d D U P A 1
H8A_10 H 0.633223 0.295733 0.167250 0.070 Uiso 0.5409(19) 1 calc R U P A 1
H8B_10 H 0.596556 0.239950 0.155061 0.070 Uiso 0.5409(19) 1 calc R U P A 1
C9_10 C 0.6671(14) 0.2517(9) 0.2738(11) 0.076(4) Uani 0.5409(19) 1 d D U P A 1
H9A_10 H 0.644251 0.219224 0.294697 0.092 Uiso 0.5409(19) 1 calc R U P A 1
H9B_10 H 0.735828 0.247706 0.254428 0.092 Uiso 0.5409(19) 1 calc R U P A 1
C10_10 C 0.6662(13) 0.2877(9) 0.3469(11) 0.081(4) Uani 0.5409(19) 1 d D U P A 1
H10A_10 H 0.701262 0.318096 0.329704 0.097 Uiso 0.5409(19) 1 calc R U P A 1
H10B_10 H 0.702434 0.273350 0.397041 0.097 Uiso 0.5409(19) 1 calc R U P A 1
C11_10 C 0.5616(13) 0.3013(9) 0.3740(9) 0.083(4) Uani 0.5409(19) 1 d D U P A 1
H11A_10 H 0.528832 0.271851 0.398073 0.099 Uiso 0.5409(19) 1 calc R U P A 1
H11B_10 H 0.564926 0.326928 0.419422 0.099 Uiso 0.5409(19) 1 calc R U P A 1
C12_10 C 0.5016(12) 0.3205(7) 0.2969(8) 0.067(3) Uani 0.5409(19) 1 d D U P A 1
H12A_10 H 0.531201 0.351517 0.275897 0.080 Uiso 0.5409(19) 1 calc R U P A 1
H12B_10 H 0.433384 0.327674 0.314677 0.080 Uiso 0.5409(19) 1 calc R U P A 1
C13_10 C 0.4834(12) 0.3562(5) 0.0846(11) 0.051(3) Uani 0.5409(19) 1 d D U P A 1
H13A_10 H 0.520976 0.374265 0.130006 0.061 Uiso 0.5409(19) 1 calc R U P A 1
H13B_10 H 0.530749 0.344398 0.041380 0.061 Uiso 0.5409(19) 1 calc R U P A 1
C14_10 C 0.4072(11) 0.3918(6) 0.0402(9) 0.045(3) Uani 0.5409(19) 1 d D U P A 1
H14A_10 H 0.374674 0.374634 -0.009073 0.054 Uiso 0.5409(19) 1 calc R U P A 1
H14B_10 H 0.442321 0.420878 0.017498 0.054 Uiso 0.5409(19) 1 calc R U P A 1
C15_10 C 0.2265(10) 0.4517(5) 0.0547(9) 0.047(3) Uani 0.5409(19) 1 d D U P A 1
H15_10 H 0.183890 0.468060 0.098239 0.056 Uiso 0.5409(19) 1 calc R U P A 1
C16_10 C 0.1586(12) 0.4209(5) -0.0032(11) 0.060(3) Uani 0.5409(19) 1 d D U P A
1
H16A_10 H 0.122374 0.396947 0.032502 0.072 Uiso 0.5409(19) 1 calc R U P A 1
H16B_10 H 0.198854 0.401999 -0.044356 0.072 Uiso 0.5409(19) 1 calc R U P A 1
C17_10 C 0.0846(11) 0.4530(6) -0.0535(11) 0.062(3) Uani 0.5409(19) 1 d D U P A
1
H17A_10 H 0.045011 0.431998 -0.093266 0.074 Uiso 0.5409(19) 1 calc R U P A 1
H17B_10 H 0.038979 0.468710 -0.012614 0.074 Uiso 0.5409(19) 1 calc R U P A 1
C18_10 C 0.1359(12) 0.4928(6) -0.1049(10) 0.063(3) Uani 0.5409(19) 1 d D U P A
1
H18A_10 H 0.176955 0.477358 -0.149511 0.076 Uiso 0.5409(19) 1 calc R U P A 1
H18B_10 H 0.085979 0.513944 -0.134292 0.076 Uiso 0.5409(19) 1 calc R U P A 1
C19_10 C 0.2004(16) 0.5242(6) -0.0458(12) 0.059(4) Uani 0.5409(19) 1 d D U P A
1
H19A_10 H 0.158381 0.541736 -0.004268 0.071 Uiso 0.5409(19) 1 calc R U P A 1
H19B_10 H 0.235067 0.549220 -0.080374 0.071 Uiso 0.5409(19) 1 calc R U P A 1
C20_10 C 0.2763(13) 0.4930(8) 0.0037(13) 0.052(4) Uani 0.5409(19) 1 d D U P A 1
H20A_10 H 0.314521 0.514340 0.044001 0.062 Uiso 0.5409(19) 1 calc R U P A 1
H20B_10 H 0.322844 0.478257 -0.037355 0.062 Uiso 0.5409(19) 1 calc R U P A 1
C21_10 C 0.3766(10) 0.4466(5) 0.2018(8) 0.052(3) Uani 0.5409(19) 1 d D U P A 1
H21_10 H 0.402583 0.421275 0.243241 0.063 Uiso 0.5409(19) 1 calc R U P A 1
C22_10 C 0.3044(10) 0.4782(6) 0.2528(10) 0.061(3) Uani 0.5409(19) 1 d D U P A 1
H22A_10 H 0.276914 0.504622 0.215215 0.073 Uiso 0.5409(19) 1 calc R U P A 1
H22B_10 H 0.248961 0.457475 0.272191 0.073 Uiso 0.5409(19) 1 calc R U P A 1
C23_10 C 0.3568(13) 0.5013(8) 0.3309(11) 0.078(4) Uani 0.5409(19) 1 d D U P A 1
H23A_10 H 0.309828 0.522449 0.362084 0.093 Uiso 0.5409(19) 1 calc R U P A 1
H23B_10 H 0.379315 0.474818 0.370741 0.093 Uiso 0.5409(19) 1 calc R U P A 1
C24_10 C 0.4444(14) 0.5318(8) 0.3046(14) 0.076(4) Uani 0.5409(19) 1 d D U P A 1
H24A_10 H 0.477735 0.545835 0.356488 0.092 Uiso 0.5409(19) 1 calc R U P A 1
H24B_10 H 0.421978 0.559437 0.267320 0.092 Uiso 0.5409(19) 1 calc R U P A 1
C25_10 C 0.5171(11) 0.4990(8) 0.2554(13) 0.078(4) Uani 0.5409(19) 1 d D U P A 1
H25A_10 H 0.574466 0.518853 0.237621 0.094 Uiso 0.5409(19) 1 calc R U P A 1
H25B_10 H 0.541463 0.472116 0.293531 0.094 Uiso 0.5409(19) 1 calc R U P A 1
C26_10 C 0.4655(11) 0.4769(7) 0.1756(12) 0.066(4) Uani 0.5409(19) 1 d D U P A 1
H26A_10 H 0.443959 0.503688 0.136176 0.079 Uiso 0.5409(19) 1 calc R U P A 1
H26B_10 H 0.512309 0.455562 0.144509 0.079 Uiso 0.5409(19) 1 calc R U P A 1
P1_11 P 0.3609(4) 0.42510(15) 0.1515(3) 0.0443(9) Uani 0.4591(19) 1 d D U P A 2
P2_11 P 0.4514(3) 0.31323(15) 0.1766(3) 0.0420(8) Uani 0.4591(19) 1 d D U P A 2
C1_11 C 0.4380(12) 0.4679(6) 0.2157(11) 0.057(3) Uani 0.4591(19) 1 d D U P A 2
H1_11 H 0.475786 0.447042 0.258126 0.068 Uiso 0.4591(19) 1 calc R U P A 2
C2_11 C 0.5153(14) 0.4975(7) 0.1666(12) 0.068(4) Uani 0.4591(19) 1 d D U P A 2
H2A_11 H 0.556997 0.474923 0.132835 0.081 Uiso 0.4591(19) 1 calc R U P A 2
H2B_11 H 0.482084 0.520712 0.126031 0.081 Uiso 0.4591(19) 1 calc R U P A 2
C3_11 C 0.5793(13) 0.5262(8) 0.2317(15) 0.080(5) Uani 0.4591(19) 1 d D U P A 2
H3A_11 H 0.615619 0.502535 0.269285 0.096 Uiso 0.4591(19) 1 calc R U P A 2
H3B_11 H 0.628576 0.545872 0.200320 0.096 Uiso 0.4591(19) 1 calc R U P A 2
C4_11 C 0.5192(15) 0.5603(7) 0.2873(16) 0.084(5) Uani 0.4591(19) 1 d D U P A 2
H4A_11 H 0.488179 0.586216 0.250732 0.101 Uiso 0.4591(19) 1 calc R U P A 2
H4B_11 H 0.563114 0.576699 0.330338 0.101 Uiso 0.4591(19) 1 calc R U P A 2
C5_11 C 0.4389(17) 0.5316(10) 0.3338(14) 0.076(5) Uani 0.4591(19) 1 d D U P A 2
H5A_11 H 0.469851 0.508377 0.375665 0.092 Uiso 0.4591(19) 1 calc R U P A 2
H5B_11 H 0.396932 0.554755 0.366101 0.092 Uiso 0.4591(19) 1 calc R U P A 2
C6_11 C 0.3761(11) 0.5032(6) 0.2690(12) 0.060(3) Uani 0.4591(19) 1 d D U P A 2
H6A_11 H 0.341636 0.526746 0.229975 0.072 Uiso 0.4591(19) 1 calc R U P A 2
H6B_11 H 0.325408 0.484176 0.299887 0.072 Uiso 0.4591(19) 1 calc R U P A 2
C7_11 C 0.2596(11) 0.4572(5) 0.0937(10) 0.049(3) Uani 0.4591(19) 1 d D U P A 2
H7_11 H 0.221976 0.475986 0.137759 0.059 Uiso 0.4591(19) 1 calc R U P A 2
C8_11 C 0.2943(16) 0.4948(8) 0.0265(15) 0.054(4) Uani 0.4591(19) 1 d D U P A 2
H8A_11 H 0.335504 0.520214 0.055638 0.065 Uiso 0.4591(19) 1 calc R U P A 2
H8B_11 H 0.335601 0.477767 -0.016190 0.065 Uiso 0.4591(19) 1 calc R U P A 2
C9_11 C 0.2089(18) 0.5194(7) -0.0196(15) 0.063(4) Uani 0.4591(19) 1 d D U P A 2
H9A_11 H 0.234459 0.541040 -0.065521 0.075 Uiso 0.4591(19) 1 calc R U P A 2
H9B_11 H 0.173387 0.540452 0.021718 0.075 Uiso 0.4591(19) 1 calc R U P A 2
C10_11 C 0.1373(15) 0.4825(8) -0.0595(12) 0.073(4) Uani 0.4591(19) 1 d D U P A
2
H10A_11 H 0.080491 0.500330 -0.085870 0.088 Uiso 0.4591(19) 1 calc R U P A 2
H10B_11 H 0.170501 0.464005 -0.105658 0.088 Uiso 0.4591(19) 1 calc R U P A 2
C11_11 C 0.1005(12) 0.4466(7) 0.0075(13) 0.065(4) Uani 0.4591(19) 1 d D U P A 2
H11A_11 H 0.056761 0.421845 -0.020570 0.078 Uiso 0.4591(19) 1 calc R U P A 2
H11B_11 H 0.061664 0.464616 0.050855 0.078 Uiso 0.4591(19) 1 calc R U P A 2
C12_11 C 0.1884(13) 0.4204(6) 0.0525(12) 0.062(4) Uani 0.4591(19) 1 d D U P A 2
H12A_11 H 0.163511 0.397914 0.097475 0.074 Uiso 0.4591(19) 1 calc R U P A 2
H12B_11 H 0.223734 0.400271 0.009777 0.074 Uiso 0.4591(19) 1 calc R U P A 2
C13_11 C 0.4399(15) 0.3969(7) 0.0712(12) 0.051(4) Uani 0.4591(19) 1 d D U P A 2
H13A_11 H 0.398282 0.379195 0.028077 0.062 Uiso 0.4591(19) 1 calc R U P A 2
H13B_11 H 0.476125 0.423189 0.040660 0.062 Uiso 0.4591(19) 1 calc R U P A 2
C14_11 C 0.5156(15) 0.3601(6) 0.1130(12) 0.051(4) Uani 0.4591(19) 1 d D U P A 2
H14A_11 H 0.562618 0.378438 0.150748 0.062 Uiso 0.4591(19) 1 calc R U P A 2
H14B_11 H 0.553522 0.343795 0.067164 0.062 Uiso 0.4591(19) 1 calc R U P A 2
C15_11 C 0.5421(13) 0.2862(6) 0.2534(10) 0.060(3) Uani 0.4591(19) 1 d D U P A 2
H15_11 H 0.505284 0.260784 0.286502 0.072 Uiso 0.4591(19) 1 calc R U P A 2
C16_11 C 0.5760(15) 0.3232(8) 0.3178(12) 0.074(4) Uani 0.4591(19) 1 d D U P A 2
H16A_11 H 0.518120 0.335787 0.348856 0.088 Uiso 0.4591(19) 1 calc R U P A 2
H16B_11 H 0.605861 0.351417 0.287143 0.088 Uiso 0.4591(19) 1 calc R U P A 2
C17_11 C 0.6513(17) 0.3030(10) 0.3836(13) 0.085(5) Uani 0.4591(19) 1 d D U P A
2
H17A_11 H 0.679759 0.330626 0.417750 0.103 Uiso 0.4591(19) 1 calc R U P A 2
H17B_11 H 0.617933 0.280367 0.423646 0.103 Uiso 0.4591(19) 1 calc R U P A 2
C18_11 C 0.7335(13) 0.2756(8) 0.3386(12) 0.073(4) Uani 0.4591(19) 1 d D U P A 2
H18A_11 H 0.772710 0.299571 0.305338 0.087 Uiso 0.4591(19) 1 calc R U P A 2
H18B_11 H 0.777877 0.260533 0.382698 0.087 Uiso 0.4591(19) 1 calc R U P A 2
C19_11 C 0.6958(16) 0.2361(7) 0.2787(14) 0.072(4) Uani 0.4591(19) 1 d D U P A 2
H19A_11 H 0.660465 0.210658 0.312053 0.086 Uiso 0.4591(19) 1 calc R U P A 2
H19B_11 H 0.751969 0.219963 0.250185 0.086 Uiso 0.4591(19) 1 calc R U P A 2
C20_11 C 0.6246(18) 0.2587(10) 0.2093(13) 0.066(5) Uani 0.4591(19) 1 d D U P A
2
H20A_11 H 0.661449 0.281622 0.172106 0.080 Uiso 0.4591(19) 1 calc R U P A 2
H20B_11 H 0.596473 0.232142 0.172502 0.080 Uiso 0.4591(19) 1 calc R U P A 2
C21_11 C 0.4148(15) 0.2643(5) 0.1022(9) 0.060(3) Uani 0.4591(19) 1 d D U P A 2
H21_11 H 0.477361 0.250299 0.079520 0.072 Uiso 0.4591(19) 1 calc R U P A 2
C22_11 C 0.3639(16) 0.2223(6) 0.1485(10) 0.063(4) Uani 0.4591(19) 1 d D U P A 2
H22A_11 H 0.408875 0.209259 0.194217 0.076 Uiso 0.4591(19) 1 calc R U P A 2
H22B_11 H 0.304206 0.235095 0.176520 0.076 Uiso 0.4591(19) 1 calc R U P A 2
C23_11 C 0.335(2) 0.1805(6) 0.0879(13) 0.082(5) Uani 0.4591(19) 1 d D U P A 2
H23A_11 H 0.363511 0.149483 0.110661 0.098 Uiso 0.4591(19) 1 calc R U P A 2
H23B_11 H 0.261879 0.176932 0.088459 0.098 Uiso 0.4591(19) 1 calc R U P A 2
C24_11 C 0.365(3) 0.1866(7) -0.0031(13) 0.093(5) Uani 0.4591(19) 1 d D U P A 2
H24A_11 H 0.330472 0.161642 -0.039296 0.112 Uiso 0.4591(19) 1 calc R U P A 2
H24B_11 H 0.436853 0.180164 -0.006523 0.112 Uiso 0.4591(19) 1 calc R U P A 2
C25_11 C 0.343(2) 0.2372(7) -0.0392(10) 0.078(4) Uani 0.4591(19) 1 d D U P A 2
H25A_11 H 0.275118 0.237356 -0.063318 0.094 Uiso 0.4591(19) 1 calc R U P A 2
H25B_11 H 0.388418 0.243457 -0.087489 0.094 Uiso 0.4591(19) 1 calc R U P A 2
C26_11 C 0.3536(19) 0.2793(6) 0.0246(10) 0.074(4) Uani 0.4591(19) 1 d D U P A 2
H26A_11 H 0.384999 0.307851 -0.003790 0.089 Uiso 0.4591(19) 1 calc R U P A 2
H26B_11 H 0.287274 0.289671 0.043160 0.089 Uiso 0.4591(19) 1 calc R U P A 2
P1_12 P 0.1362(4) 0.24724(15) 0.3478(3) 0.0422(9) Uani 0.4591(19) 1 d D U P A 2
P2_12 P 0.0389(3) 0.35924(17) 0.3302(4) 0.0425(9) Uani 0.4591(19) 1 d D U P A 2
C1_12 C 0.0564(12) 0.2017(6) 0.2933(12) 0.057(3) Uani 0.4591(19) 1 d D U P A 2
H1_12 H 0.015320 0.221449 0.251472 0.069 Uiso 0.4591(19) 1 calc R U P A 2
C2_12 C -0.0169(17) 0.1743(8) 0.3461(14) 0.075(5) Uani 0.4591(19) 1 d D U P A 2
H2A_12 H -0.057005 0.198357 0.378281 0.091 Uiso 0.4591(19) 1 calc R U P A 2
H2B_12 H 0.019020 0.153481 0.388789 0.091 Uiso 0.4591(19) 1 calc R U P A 2
C3_12 C -0.0860(15) 0.1415(9) 0.2911(17) 0.089(5) Uani 0.4591(19) 1 d D U P A 2
H3A_12 H -0.128392 0.121834 0.329366 0.107 Uiso 0.4591(19) 1 calc R U P A 2
H3B_12 H -0.129238 0.162495 0.254279 0.107 Uiso 0.4591(19) 1 calc R U P A 2
C4_12 C -0.0266(16) 0.1070(8) 0.2346(16) 0.090(5) Uani 0.4591(19) 1 d D U P A 2
H4A_12 H 0.010985 0.083441 0.271416 0.108 Uiso 0.4591(19) 1 calc R U P A 2
H4B_12 H -0.071949 0.087877 0.196521 0.108 Uiso 0.4591(19) 1 calc R U P A 2
C5_12 C 0.0443(16) 0.1365(8) 0.1802(13) 0.067(5) Uani 0.4591(19) 1 d D U P A 2
H5A_12 H 0.006216 0.159103 0.141885 0.081 Uiso 0.4591(19) 1 calc R U P A 2
H5B_12 H 0.082085 0.113767 0.143510 0.081 Uiso 0.4591(19) 1 calc R U P A 2
C6_12 C 0.1160(12) 0.1666(7) 0.2368(12) 0.061(3) Uani 0.4591(19) 1 d D U P A 2
H6A_12 H 0.160980 0.185813 0.200119 0.073 Uiso 0.4591(19) 1 calc R U P A 2
H6B_12 H 0.156324 0.144272 0.273730 0.073 Uiso 0.4591(19) 1 calc R U P A 2
C7_12 C 0.2424(10) 0.2188(6) 0.4022(10) 0.050(3) Uani 0.4591(19) 1 d D U P A 2
H7_12 H 0.276493 0.198355 0.358095 0.060 Uiso 0.4591(19) 1 calc R U P A 2
C8_12 C 0.2143(15) 0.1839(9) 0.4750(16) 0.061(4) Uani 0.4591(19) 1 d D U P A 2
H8A_12 H 0.176105 0.202322 0.518236 0.073 Uiso 0.4591(19) 1 calc R U P A 2
H8B_12 H 0.171765 0.157244 0.451420 0.073 Uiso 0.4591(19) 1 calc R U P A 2
C9_12 C 0.3048(16) 0.1617(7) 0.5181(15) 0.070(4) Uani 0.4591(19) 1 d D U P A 2
H9A_12 H 0.338719 0.140164 0.476483 0.084 Uiso 0.4591(19) 1 calc R U P A 2
H9B_12 H 0.284416 0.140950 0.567230 0.084 Uiso 0.4591(19) 1 calc R U P A 2
C10_12 C 0.3762(16) 0.2014(8) 0.5506(14) 0.076(4) Uani 0.4591(19) 1 d D U P A 2
H10A_12 H 0.435933 0.185640 0.576047 0.091 Uiso 0.4591(19) 1 calc R U P A 2
H10B_12 H 0.344536 0.221062 0.596239 0.091 Uiso 0.4591(19) 1 calc R U P A 2
C11_12 C 0.4055(12) 0.2354(7) 0.4767(14) 0.072(4) Uani 0.4591(19) 1 d D U P A 2
H11A_12 H 0.448330 0.262116 0.499507 0.086 Uiso 0.4591(19) 1 calc R U P A 2
H11B_12 H 0.443568 0.216313 0.434222 0.086 Uiso 0.4591(19) 1 calc R U P A 2
C12_12 C 0.3153(13) 0.2576(6) 0.4323(12) 0.063(4) Uani 0.4591(19) 1 d D U P A 2
H12A_12 H 0.282509 0.280252 0.472764 0.076 Uiso 0.4591(19) 1 calc R U P A 2
H12B_12 H 0.336429 0.277202 0.382052 0.076 Uiso 0.4591(19) 1 calc R U P A 2
C13_12 C 0.0610(15) 0.2751(7) 0.4323(11) 0.047(4) Uani 0.4591(19) 1 d D U P A 2
H13A_12 H 0.027824 0.248625 0.464806 0.057 Uiso 0.4591(19) 1 calc R U P A 2
H13B_12 H 0.104625 0.293342 0.473244 0.057 Uiso 0.4591(19) 1 calc R U P A 2
C14_12 C -0.0172(13) 0.3105(6) 0.3948(12) 0.041(4) Uani 0.4591(19) 1 d D U P A
2
H14A_12 H -0.053988 0.325673 0.442512 0.049 Uiso 0.4591(19) 1 calc R U P A 2
H14B_12 H -0.064718 0.291715 0.358295 0.049 Uiso 0.4591(19) 1 calc R U P A 2
C15_12 C -0.0636(13) 0.3953(10) 0.2826(14) 0.077(5) Uani 0.4591(19) 1 d D U P A
2
H15_12 H -0.057963 0.426129 0.317913 0.093 Uiso 0.4591(19) 1 calc R U P A 2
C16_12 C -0.0422(14) 0.4154(9) 0.1962(13) 0.074(4) Uani 0.4591(19) 1 d D U P A
2
H16A_12 H 0.006917 0.393493 0.169226 0.088 Uiso 0.4591(19) 1 calc R U P A 2
H16B_12 H -0.010721 0.448074 0.204041 0.088 Uiso 0.4591(19) 1 calc R U P A 2
C17_12 C -0.1274(16) 0.4212(15) 0.1342(13) 0.097(6) Uani 0.4591(19) 1 d D U P A
2
H17A_12 H -0.113956 0.449902 0.096783 0.116 Uiso 0.4591(19) 1 calc R U P A 2
H17B_12 H -0.130212 0.391621 0.096795 0.116 Uiso 0.4591(19) 1 calc R U P A 2
C18_12 C -0.2256(17) 0.4281(14) 0.1717(14) 0.096(6) Uani 0.4591(19) 1 d D U P A
2
H18A_12 H -0.238637 0.464040 0.173147 0.115 Uiso 0.4591(19) 1 calc R U P A 2
H18B_12 H -0.274622 0.413465 0.131012 0.115 Uiso 0.4591(19) 1 calc R U P A 2
C19_12 C -0.2459(14) 0.4087(14) 0.2570(15) 0.083(5) Uani 0.4591(19) 1 d D U P A
2
H19A_12 H -0.304239 0.386841 0.251792 0.099 Uiso 0.4591(19) 1 calc R U P A 2
H19B_12 H -0.264430 0.436784 0.294255 0.099 Uiso 0.4591(19) 1 calc R U P A 2
C20_12 C -0.1645(14) 0.3805(12) 0.3025(16) 0.086(5) Uani 0.4591(19) 1 d D U P A
2
H20A_12 H -0.173166 0.383840 0.365439 0.104 Uiso 0.4591(19) 1 calc R U P A 2
H20B_12 H -0.172167 0.345087 0.287979 0.104 Uiso 0.4591(19) 1 calc R U P A 2
C21_12 C 0.1036(13) 0.4005(5) 0.4098(9) 0.051(3) Uani 0.4591(19) 1 d D U P A 2
H21_12 H 0.165828 0.383031 0.427593 0.061 Uiso 0.4591(19) 1 calc R U P A 2
C22_12 C 0.1352(12) 0.4474(5) 0.3639(9) 0.050(3) Uani 0.4591(19) 1 d D U P A 2
H22A_12 H 0.076147 0.464752 0.340611 0.060 Uiso 0.4591(19) 1 calc R U P A 2
H22B_12 H 0.177659 0.438763 0.314971 0.060 Uiso 0.4591(19) 1 calc R U P A 2
C23_12 C 0.1920(15) 0.4816(7) 0.4264(11) 0.065(4) Uani 0.4591(19) 1 d D U P A 2
H23A_12 H 0.252351 0.464671 0.448064 0.078 Uiso 0.4591(19) 1 calc R U P A 2
H23B_12 H 0.212360 0.511770 0.395473 0.078 Uiso 0.4591(19) 1 calc R U P A 2
C24_12 C 0.1280(13) 0.4957(6) 0.5021(11) 0.060(4) Uani 0.4591(19) 1 d D U P A 2
H24A_12 H 0.065116 0.510650 0.481442 0.071 Uiso 0.4591(19) 1 calc R U P A 2
H24B_12 H 0.162757 0.519603 0.540299 0.071 Uiso 0.4591(19) 1 calc R U P A 2
C25_12 C 0.1079(15) 0.4452(7) 0.5522(9) 0.063(4) Uani 0.4591(19) 1 d D U P A 2
H25A_12 H 0.171235 0.429625 0.569686 0.075 Uiso 0.4591(19) 1 calc R U P A 2
H25B_12 H 0.069693 0.451776 0.604707 0.075 Uiso 0.4591(19) 1 calc R U P A 2
C26_12 C 0.0497(13) 0.4111(6) 0.4915(10) 0.055(4) Uani 0.4591(19) 1 d D U P A 2
H26A_12 H 0.036564 0.379626 0.521574 0.066 Uiso 0.4591(19) 1 calc R U P A 2
H26B_12 H -0.014661 0.426535 0.476717 0.066 Uiso 0.4591(19) 1 calc R U P A 2
O1_13 O 0.5113(11) 0.5269(6) 0.7461(12) 0.050(3) Uani 0.362(9) 1 d D U P C 2
C1_13 C 0.4567(14) 0.5655(7) 0.7166(12) 0.069(3) Uani 0.362(9) 1 d D U P C 2
C2_13 C 0.4160(17) 0.5934(8) 0.7956(14) 0.090(5) Uani 0.362(9) 1 d D U P C 2
F1_13 F 0.391(2) 0.5646(8) 0.8608(15) 0.095(6) Uani 0.362(9) 1 d D U P C 2
F2_13 F 0.334(2) 0.6180(13) 0.768(3) 0.126(8) Uani 0.362(9) 1 d D U P C 2
F3_13 F 0.486(2) 0.6228(9) 0.8273(19) 0.129(7) Uani 0.362(9) 1 d D U P C 2
C3_13 C 0.5157(16) 0.6005(7) 0.6594(14) 0.086(4) Uani 0.362(9) 1 d D U P C 2
F4_13 F 0.5258(18) 0.5796(11) 0.5812(14) 0.104(6) Uani 0.362(9) 1 d D U P C 2
F5_13 F 0.6057(15) 0.6074(8) 0.6929(18) 0.088(5) Uani 0.362(9) 1 d D U P C 2
F6_13 F 0.4769(17) 0.6446(7) 0.6493(18) 0.102(6) Uani 0.362(9) 1 d D U P C 2
C4_13 C 0.3656(15) 0.5473(8) 0.6637(14) 0.085(4) Uani 0.362(9) 1 d D U P C 2
F7_13 F 0.3969(14) 0.5133(7) 0.6056(12) 0.088(5) Uani 0.362(9) 1 d D U P C 2
F8_13 F 0.3260(19) 0.5831(9) 0.615(2) 0.123(7) Uani 0.362(9) 1 d D U P C 2
F9_13 F 0.3005(16) 0.5286(9) 0.7181(18) 0.100(6) Uani 0.362(9) 1 d D U P C 2
O1_14 O 0.0205(16) 0.6477(8) 0.2470(15) 0.066(4) Uani 0.328(8) 1 d D U P B 2
C1_14 C -0.0368(15) 0.6090(8) 0.2239(13) 0.078(4) Uani 0.328(8) 1 d D U P B 2
C2_14 C -0.0750(19) 0.5825(10) 0.3055(16) 0.096(5) Uani 0.328(8) 1 d D U P B 2
F1_14 F -0.010(2) 0.5518(13) 0.343(2) 0.152(10) Uani 0.328(8) 1 d D U P B 2
F2_14 F -0.158(2) 0.5574(13) 0.284(3) 0.120(8) Uani 0.328(8) 1 d D U P B 2
F3_14 F -0.100(2) 0.6153(11) 0.364(2) 0.119(8) Uani 0.328(8) 1 d D U P B 2
C3_14 C -0.1240(16) 0.6293(9) 0.1701(16) 0.093(5) Uani 0.328(8) 1 d D U P B 2
F4_14 F -0.174(2) 0.5963(10) 0.124(2) 0.125(8) Uani 0.328(8) 1 d D U P B 2
F5_14 F -0.0952(16) 0.6650(9) 0.1141(15) 0.097(6) Uani 0.328(8) 1 d D U P B 2
F6_14 F -0.1895(18) 0.6479(12) 0.225(2) 0.111(7) Uani 0.328(8) 1 d D U P B 2
C4_14 C 0.0230(18) 0.5716(8) 0.1714(16) 0.090(5) Uani 0.328(8) 1 d D U P B 2
F7_14 F 0.033(2) 0.5882(11) 0.0901(15) 0.103(6) Uani 0.328(8) 1 d D U P B 2
F8_14 F -0.019(2) 0.5276(8) 0.162(2) 0.114(7) Uani 0.328(8) 1 d D U P B 2
F9_14 F 0.1119(18) 0.5682(11) 0.2088(19) 0.101(6) Uani 0.328(8) 1 d D U P B 2
O1_15 O 0.6529(12) 0.4594(7) 0.8103(10) 0.062(3) Uani 0.436(13) 1 d D U P C 2
C1_15 C 0.7140(14) 0.4745(7) 0.8734(12) 0.077(3) Uani 0.436(13) 1 d D U P C 2
C2_15 C 0.6583(18) 0.5100(8) 0.9317(14) 0.093(4) Uani 0.436(13) 1 d D U P C 2
F1_15 F 0.650(2) 0.5562(6) 0.8988(15) 0.136(7) Uani 0.436(13) 1 d D U P C 2
F2_15 F 0.699(3) 0.5119(12) 1.0112(15) 0.120(7) Uani 0.436(13) 1 d D U P C 2
F3_15 F 0.5647(16) 0.4938(10) 0.9413(14) 0.097(5) Uani 0.436(13) 1 d D U P C 2
C3_15 C 0.7487(15) 0.4281(7) 0.9252(13) 0.085(4) Uani 0.436(13) 1 d D U P C 2
F4_15 F 0.7692(13) 0.3906(7) 0.8754(11) 0.097(4) Uani 0.436(13) 1 d D U P C 2
F5_15 F 0.6762(14) 0.4142(8) 0.9778(12) 0.093(5) Uani 0.436(13) 1 d D U P C 2
F6_15 F 0.8274(14) 0.4382(10) 0.9750(13) 0.113(6) Uani 0.436(13) 1 d D U P C 2
C4_15 C 0.8084(17) 0.4961(9) 0.8326(15) 0.091(5) Uani 0.436(13) 1 d D U P C 2
F7_15 F 0.858(2) 0.4583(9) 0.797(2) 0.117(7) Uani 0.436(13) 1 d D U P C 2
F8_15 F 0.867(2) 0.5164(11) 0.8921(14) 0.107(7) Uani 0.436(13) 1 d D U P C 2
F9_15 F 0.7895(18) 0.5326(9) 0.7743(13) 0.098(6) Uani 0.436(13) 1 d D U P C 2
O1_16 O 0.5122(18) 0.4258(9) 0.697(2) 0.054(5) Uani 0.383(14) 1 d D U P C 2
C1_16 C 0.4629(15) 0.3859(7) 0.7256(13) 0.066(3) Uani 0.383(14) 1 d D U P C 2
C2_16 C 0.3753(16) 0.4010(9) 0.7818(16) 0.072(4) Uani 0.383(14) 1 d D U P C 2
F1_16 F 0.3039(16) 0.4214(9) 0.7306(17) 0.091(6) Uani 0.383(14) 1 d D U P C 2
F2_16 F 0.342(2) 0.3643(11) 0.830(2) 0.097(7) Uani 0.383(14) 1 d D U P C 2
F3_16 F 0.4004(17) 0.4371(11) 0.8381(19) 0.068(5) Uani 0.383(14) 1 d D U P C 2
C3_16 C 0.5318(14) 0.3505(7) 0.7784(14) 0.077(4) Uani 0.383(14) 1 d D U P C 2
F4_16 F 0.6201(11) 0.3478(7) 0.7437(15) 0.085(5) Uani 0.383(14) 1 d D U P C 2
F5_16 F 0.5424(15) 0.3668(7) 0.8591(12) 0.080(4) Uani 0.383(14) 1 d D U P C 2
F6_16 F 0.4926(16) 0.3048(6) 0.779(2) 0.110(6) Uani 0.383(14) 1 d D U P C 2
C4_16 C 0.4230(16) 0.3572(9) 0.6451(15) 0.094(5) Uani 0.383(14) 1 d D U P C 2
F7_16 F 0.4950(17) 0.3317(10) 0.6080(18) 0.114(7) Uani 0.383(14) 1 d D U P C 2
F8_16 F 0.3540(16) 0.3241(8) 0.6684(19) 0.122(7) Uani 0.383(14) 1 d D U P C 2
F9_16 F 0.3837(19) 0.3884(10) 0.5868(15) 0.112(6) Uani 0.383(14) 1 d D U P C 2
O1_17 O 0.033(2) 0.7487(10) 0.200(3) 0.060(6) Uani 0.328(12) 1 d D U P B 2
C1_17 C -0.0176(16) 0.7895(8) 0.2244(14) 0.073(4) Uani 0.328(12) 1 d D U P B 2
C2_17 C -0.1069(17) 0.7775(10) 0.2809(17) 0.081(5) Uani 0.328(12) 1 d D U P B 2
F1_17 F -0.1816(18) 0.7614(11) 0.230(2) 0.105(7) Uani 0.328(12) 1 d D U P B 2
F2_17 F -0.137(2) 0.8136(12) 0.333(2) 0.099(7) Uani 0.328(12) 1 d D U P B 2
F3_17 F -0.087(2) 0.7391(13) 0.334(2) 0.093(8) Uani 0.328(12) 1 d D U P B 2
C3_17 C 0.0539(15) 0.8227(8) 0.2780(15) 0.079(4) Uani 0.328(12) 1 d D U P B 2
F4_17 F 0.1445(14) 0.8244(9) 0.2475(17) 0.095(6) Uani 0.328(12) 1 d D U P B 2
F5_17 F 0.0549(18) 0.8079(8) 0.3610(13) 0.085(5) Uani 0.328(12) 1 d D U P B 2
F6_17 F 0.0228(18) 0.8689(7) 0.284(2) 0.106(7) Uani 0.328(12) 1 d D U P B 2
C4_17 C -0.0547(18) 0.8153(9) 0.1408(16) 0.089(5) Uani 0.328(12) 1 d D U P B 2
F7_17 F 0.017(2) 0.8405(11) 0.102(2) 0.106(7) Uani 0.328(12) 1 d D U P B 2
F8_17 F -0.1240(19) 0.8488(10) 0.157(2) 0.115(7) Uani 0.328(12) 1 d D U P B 2
F9_17 F -0.091(2) 0.7834(11) 0.0807(16) 0.103(7) Uani 0.328(12) 1 d D U P B 2
O1_18 O 0.167(3) 0.7102(12) 0.3179(18) 0.077(6) Uani 0.241(10) 1 d D U P B 2
C1_18 C 0.2178(19) 0.6890(9) 0.3842(18) 0.090(4) Uani 0.241(10) 1 d D U P B 2
C2_18 C 0.148(2) 0.6604(10) 0.4458(19) 0.098(5) Uani 0.241(10) 1 d D U P B 2
F1_18 F 0.131(3) 0.6155(10) 0.413(3) 0.115(8) Uani 0.241(10) 1 d D U P B 2
F2_18 F 0.181(3) 0.6549(17) 0.527(2) 0.117(8) Uani 0.241(10) 1 d D U P B 2
F3_18 F 0.060(2) 0.6813(15) 0.443(3) 0.104(9) Uani 0.241(10) 1 d D U P B 2
C3_18 C 0.261(2) 0.7333(10) 0.4367(19) 0.103(6) Uani 0.241(10) 1 d D U P B 2
F4_18 F 0.293(2) 0.7696(12) 0.385(2) 0.116(8) Uani 0.241(10) 1 d D U P B 2
F5_18 F 0.183(3) 0.7508(15) 0.482(2) 0.120(9) Uani 0.241(10) 1 d D U P B 2
F6_18 F 0.335(3) 0.7172(16) 0.487(2) 0.135(10) Uani 0.241(10) 1 d D U P B 2
C4_18 C 0.293(2) 0.6501(11) 0.355(2) 0.097(6) Uani 0.241(10) 1 d D U P B 2
F7_18 F 0.372(2) 0.6662(17) 0.315(2) 0.120(8) Uani 0.241(10) 1 d D U P B 2
F8_18 F 0.326(3) 0.6217(15) 0.420(2) 0.118(8) Uani 0.241(10) 1 d D U P B 2
F9_18 F 0.249(3) 0.6190(16) 0.299(3) 0.125(11) Uani 0.241(10) 1 d D U P B 2
O1_19 O 0.150(4) 0.694(2) 0.115(3) 0.084(7) Uani 0.140(9) 1 d D U P B 2
C1_19 C 0.204(3) 0.7110(13) 0.051(2) 0.092(5) Uani 0.140(9) 1 d D U P B 2
C2_19 C 0.282(3) 0.7494(15) 0.079(3) 0.097(6) Uani 0.140(9) 1 d D U P B 2
F1_19 F 0.246(4) 0.781(2) 0.136(4) 0.108(11) Uani 0.140(9) 1 d D U P B 2
F2_19 F 0.309(5) 0.776(3) 0.009(4) 0.104(10) Uani 0.140(9) 1 d D U P B 2
F3_19 F 0.364(3) 0.730(2) 0.114(4) 0.122(9) Uani 0.140(9) 1 d D U P B 2
C3_19 C 0.249(3) 0.6673(14) 0.001(3) 0.097(6) Uani 0.140(9) 1 d D U P B 2
F4_19 F 0.181(4) 0.649(2) -0.055(3) 0.101(11) Uani 0.140(9) 1 d D U P B 2
F5_19 F 0.279(4) 0.6310(15) 0.054(3) 0.089(8) Uani 0.140(9) 1 d D U P B 2
F6_19 F 0.328(4) 0.682(2) -0.043(3) 0.104(10) Uani 0.140(9) 1 d D U P B 2
C4_19 C 0.132(3) 0.7391(14) -0.012(2) 0.098(7) Uani 0.140(9) 1 d D U P B 2
F7_19 F 0.060(3) 0.7100(17) -0.043(3) 0.088(9) Uani 0.140(9) 1 d D U P B 2
F8_19 F 0.186(4) 0.751(2) -0.082(3) 0.114(11) Uani 0.140(9) 1 d D U P B 2
F9_19 F 0.099(4) 0.7804(13) 0.022(2) 0.086(9) Uani 0.140(9) 1 d D U P B 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 C1 2.054(16) . ?
Ga1 P2_10 2.437(4) . ?
Ga1 Ga2 2.4464(18) . ?
Ga1 P1_10 2.464(5) . ?
Ga2 P2_9 2.415(4) . ?
Ga2 P1_9 2.435(5) . ?
Ga2 H1 1.46(3) . ?
Ga4 C3 2.08(2) . ?
Ga4 P2_12 2.420(5) . ?
Ga4 Ga3 2.441(3) . ?
Ga4 P1_12 2.448(5) . ?
Ga3 P2_11 2.417(5) . ?
Ga3 P1_11 2.426(4) . ?
Ga3 H2 1.46(3) . ?
Al1 O1_1 1.653(10) . ?
Al1 O1_17 1.67(3) . ?
Al1 O1_2 1.704(9) . ?
Al1 O1_19 1.72(4) . ?
Al1 O1_5 1.715(10) . ?
Al1 O1_6 1.745(15) . ?
Al1 O1_14 1.81(2) . ?
Al1 O1_18 1.83(3) . ?
Al2 O1_4 1.687(16) . ?
Al2 O1_8 1.693(8) . ?
Al2 O1_3 1.703(11) . ?
Al2 O1_7 1.705(10) . ?
Al2 O1_16 1.72(2) . ?
Al2 O1_13 1.735(15) . ?
Al2 O1_15 1.762(14) . ?
N1 C2 1.08(3) . ?
C2 C1 1.48(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
N2 C4 1.07(4) . ?
C4 C3 1.52(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
O1_1 C1_1 1.349(13) . ?
C1_1 C2_1 1.531(16) . ?
C1_1 C4_1 1.551(15) . ?
C1_1 C3_1 1.564(15) . ?
C2_1 F3_1 1.313(16) . ?
C2_1 F1_1 1.340(15) . ?
C2_1 F2_1 1.351(16) . ?
C3_1 F6_1 1.329(15) . ?
C3_1 F4_1 1.331(17) . ?
C3_1 F5_1 1.346(15) . ?
C4_1 F9_1 1.319(15) . ?
C4_1 F7_1 1.335(15) . ?
C4_1 F8_1 1.350(15) . ?
O1_2 C1_2 1.367(13) . ?
C1_2 C3_2 1.540(14) . ?
C1_2 C2_2 1.549(15) . ?
C1_2 C4_2 1.554(15) . ?
C2_2 F1_2 1.310(15) . ?
C2_2 F2_2 1.338(15) . ?
C2_2 F3_2 1.344(17) . ?
C3_2 F5_2 1.322(14) . ?
C3_2 F6_2 1.348(14) . ?
C3_2 F4_2 1.356(14) . ?
C4_2 F7_2 1.295(15) . ?
C4_2 F9_2 1.324(14) . ?
C4_2 F8_2 1.360(14) . ?
O1_3 C1_3 1.344(15) . ?
C1_3 C2_3 1.525(16) . ?
C1_3 C3_3 1.550(16) . ?
C1_3 C4_3 1.567(17) . ?
C2_3 F3_3 1.322(16) . ?
C2_3 F2_3 1.335(15) . ?
C2_3 F1_3 1.359(16) . ?
C3_3 F6_3 1.312(15) . ?
C3_3 F4_3 1.344(17) . ?
C3_3 F5_3 1.345(18) . ?
C4_3 F9_3 1.319(18) . ?
C4_3 F8_3 1.323(16) . ?
C4_3 F7_3 1.347(17) . ?
O1_4 C1_4 1.356(14) . ?
C1_4 C2_4 1.539(16) . ?
C1_4 C4_4 1.548(16) . ?
C1_4 C3_4 1.558(15) . ?
C2_4 F3_4 1.313(16) . ?
C2_4 F2_4 1.330(15) . ?
C2_4 F1_4 1.364(16) . ?
C3_4 F5_4 1.329(16) . ?
C3_4 F4_4 1.339(17) . ?
C3_4 F6_4 1.341(16) . ?
C4_4 F7_4 1.349(17) . ?
C4_4 F8_4 1.352(16) . ?
C4_4 F9_4 1.361(16) . ?
O1_5 C1_5 1.323(13) . ?
C1_5 C4_5 1.541(15) . ?
C1_5 C2_5 1.549(15) . ?
C1_5 C3_5 1.555(14) . ?
C2_5 F3_5 1.310(17) . ?
C2_5 F1_5 1.336(15) . ?
C2_5 F2_5 1.368(16) . ?
C3_5 F5_5 1.296(14) . ?
C3_5 F4_5 1.303(14) . ?
C3_5 F6_5 1.345(14) . ?
C4_5 F8_5 1.341(14) . ?
C4_5 F7_5 1.345(16) . ?
C4_5 F9_5 1.351(15) . ?
O1_6 C1_6 1.345(14) . ?
C1_6 C4_6 1.530(16) . ?
C1_6 C3_6 1.555(16) . ?
C1_6 C2_6 1.557(15) . ?
C2_6 F3_6 1.331(16) . ?
C2_6 F1_6 1.336(17) . ?
C2_6 F2_6 1.340(16) . ?
C3_6 F6_6 1.322(15) . ?
C3_6 F5_6 1.332(16) . ?
C3_6 F4_6 1.332(15) . ?
C4_6 F7_6 1.343(15) . ?
C4_6 F8_6 1.348(15) . ?
C4_6 F9_6 1.349(16) . ?
O1_7 C1_7 1.358(14) . ?
C1_7 C2_7 1.537(16) . ?
C1_7 C4_7 1.541(15) . ?
C1_7 C3_7 1.543(15) . ?
C2_7 F3_7 1.332(17) . ?
C2_7 F2_7 1.337(15) . ?
C2_7 F1_7 1.361(16) . ?
C3_7 F5_7 1.310(15) . ?
C3_7 F4_7 1.341(15) . ?
C3_7 F6_7 1.344(15) . ?
C4_7 F7_7 1.307(17) . ?
C4_7 F9_7 1.361(16) . ?
C4_7 F8_7 1.367(16) . ?
O1_8 C1_8 1.326(12) . ?
C1_8 C4_8 1.513(14) . ?
C1_8 C3_8 1.524(14) . ?
C1_8 C2_8 1.591(15) . ?
C2_8 F1_8 1.290(16) . ?
C2_8 F3_8 1.336(15) . ?
C2_8 F2_8 1.344(15) . ?
C3_8 F5_8 1.307(13) . ?
C3_8 F6_8 1.319(12) . ?
C3_8 F4_8 1.404(15) . ?
C4_8 F9_8 1.327(15) . ?
C4_8 F8_8 1.369(15) . ?
C4_8 F7_8 1.370(15) . ?
P1_9 C1_9 1.817(12) . ?
P1_9 C13_9 1.822(14) . ?
P1_9 C7_9 1.849(12) . ?
P2_9 C21_9 1.824(11) . ?
P2_9 C14_9 1.826(14) . ?
P2_9 C15_9 1.840(11) . ?
C1_9 C6_9 1.530(14) . ?
C1_9 C2_9 1.540(13) . ?
C1_9 H1_9 1.0000 . ?
C2_9 C3_9 1.515(15) . ?
C2_9 H2A_9 0.9900 . ?
C2_9 H2B_9 0.9900 . ?
C3_9 C4_9 1.500(16) . ?
C3_9 H3A_9 0.9900 . ?
C3_9 H3B_9 0.9900 . ?
C4_9 C5_9 1.517(17) . ?
C4_9 H4A_9 0.9900 . ?
C4_9 H4B_9 0.9900 . ?
C5_9 C6_9 1.515(17) . ?
C5_9 H5A_9 0.9900 . ?
C5_9 H5B_9 0.9900 . ?
C6_9 H6A_9 0.9900 . ?
C6_9 H6B_9 0.9900 . ?
C7_9 C12_9 1.501(16) . ?
C7_9 C8_9 1.533(15) . ?
C7_9 H7_9 1.0000 . ?
C8_9 C9_9 1.527(15) . ?
C8_9 H8A_9 0.9900 . ?
C8_9 H8B_9 0.9900 . ?
C9_9 C10_9 1.516(18) . ?
C9_9 H9A_9 0.9900 . ?
C9_9 H9B_9 0.9900 . ?
C10_9 C11_9 1.519(17) . ?
C10_9 H10A_9 0.9900 . ?
C10_9 H10B_9 0.9900 . ?
C11_9 C12_9 1.536(16) . ?
C11_9 H11A_9 0.9900 . ?
C11_9 H11B_9 0.9900 . ?
C12_9 H12A_9 0.9900 . ?
C12_9 H12B_9 0.9900 . ?
C13_9 C14_9 1.534(16) . ?
C13_9 H13A_9 0.9900 . ?
C13_9 H13B_9 0.9900 . ?
C14_9 H14A_9 0.9900 . ?
C14_9 H14B_9 0.9900 . ?
C15_9 C16_9 1.519(15) . ?
C15_9 C20_9 1.547(14) . ?
C15_9 H15_9 1.0000 . ?
C16_9 C17_9 1.519(15) . ?
C16_9 H16A_9 0.9900 . ?
C16_9 H16B_9 0.9900 . ?
C17_9 C18_9 1.507(16) . ?
C17_9 H17A_9 0.9900 . ?
C17_9 H17B_9 0.9900 . ?
C18_9 C19_9 1.520(16) . ?
C18_9 H18A_9 0.9900 . ?
C18_9 H18B_9 0.9900 . ?
C19_9 C20_9 1.516(15) . ?
C19_9 H19A_9 0.9900 . ?
C19_9 H19B_9 0.9900 . ?
C20_9 H20A_9 0.9900 . ?
C20_9 H20B_9 0.9900 . ?
C21_9 C26_9 1.512(16) . ?
C21_9 C22_9 1.529(14) . ?
C21_9 H21_9 1.0000 . ?
C22_9 C23_9 1.525(15) . ?
C22_9 H22A_9 0.9900 . ?
C22_9 H22B_9 0.9900 . ?
C23_9 C24_9 1.533(17) . ?
C23_9 H23A_9 0.9900 . ?
C23_9 H23B_9 0.9900 . ?
C24_9 C25_9 1.520(17) . ?
C24_9 H24A_9 0.9900 . ?
C24_9 H24B_9 0.9900 . ?
C25_9 C26_9 1.545(16) . ?
C25_9 H25A_9 0.9900 . ?
C25_9 H25B_9 0.9900 . ?
C26_9 H26A_9 0.9900 . ?
C26_9 H26B_9 0.9900 . ?
P1_10 C7_10 1.844(11) . ?
P1_10 C13_10 1.846(14) . ?
P1_10 C1_10 1.849(12) . ?
P2_10 C14_10 1.814(13) . ?
P2_10 C21_10 1.833(12) . ?
P2_10 C15_10 1.842(11) . ?
C1_10 C2_10 1.512(13) . ?
C1_10 C6_10 1.530(15) . ?
C1_10 H1_10 1.0000 . ?
C2_10 C3_10 1.526(15) . ?
C2_10 H2A_10 0.9900 . ?
C2_10 H2B_10 0.9900 . ?
C3_10 C4_10 1.513(16) . ?
C3_10 H3A_10 0.9900 . ?
C3_10 H3B_10 0.9900 . ?
C4_10 C5_10 1.530(17) . ?
C4_10 H4A_10 0.9900 . ?
C4_10 H4B_10 0.9900 . ?
C5_10 C6_10 1.532(16) . ?
C5_10 H5A_10 0.9900 . ?
C5_10 H5B_10 0.9900 . ?
C6_10 H6A_10 0.9900 . ?
C6_10 H6B_10 0.9900 . ?
C7_10 C8_10 1.517(16) . ?
C7_10 C12_10 1.526(16) . ?
C7_10 H7_10 1.0000 . ?
C8_10 C9_10 1.533(15) . ?
C8_10 H8A_10 0.9900 . ?
C8_10 H8B_10 0.9900 . ?
C9_10 C10_10 1.496(18) . ?
C9_10 H9A_10 0.9900 . ?
C9_10 H9B_10 0.9900 . ?
C10_10 C11_10 1.531(17) . ?
C10_10 H10A_10 0.9900 . ?
C10_10 H10B_10 0.9900 . ?
C11_10 C12_10 1.523(16) . ?
C11_10 H11A_10 0.9900 . ?
C11_10 H11B_10 0.9900 . ?
C12_10 H12A_10 0.9900 . ?
C12_10 H12B_10 0.9900 . ?
C13_10 C14_10 1.561(17) . ?
C13_10 H13A_10 0.9900 . ?
C13_10 H13B_10 0.9900 . ?
C14_10 H14A_10 0.9900 . ?
C14_10 H14B_10 0.9900 . ?
C15_10 C16_10 1.522(15) . ?
C15_10 C20_10 1.533(14) . ?
C15_10 H15_10 1.0000 . ?
C16_10 C17_10 1.530(15) . ?
C16_10 H16A_10 0.9900 . ?
C16_10 H16B_10 0.9900 . ?
C17_10 C18_10 1.518(16) . ?
C17_10 H17A_10 0.9900 . ?
C17_10 H17B_10 0.9900 . ?
C18_10 C19_10 1.513(17) . ?
C18_10 H18A_10 0.9900 . ?
C18_10 H18B_10 0.9900 . ?
C19_10 C20_10 1.525(15) . ?
C19_10 H19A_10 0.9900 . ?
C19_10 H19B_10 0.9900 . ?
C20_10 H20A_10 0.9900 . ?
C20_10 H20B_10 0.9900 . ?
C21_10 C26_10 1.519(16) . ?
C21_10 C22_10 1.533(15) . ?
C21_10 H21_10 1.0000 . ?
C22_10 C23_10 1.525(15) . ?
C22_10 H22A_10 0.9900 . ?
C22_10 H22B_10 0.9900 . ?
C23_10 C24_10 1.510(18) . ?
C23_10 H23A_10 0.9900 . ?
C23_10 H23B_10 0.9900 . ?
C24_10 C25_10 1.542(18) . ?
C24_10 H24A_10 0.9900 . ?
C24_10 H24B_10 0.9900 . ?
C25_10 C26_10 1.530(16) . ?
C25_10 H25A_10 0.9900 . ?
C25_10 H25B_10 0.9900 . ?
C26_10 H26A_10 0.9900 . ?
C26_10 H26B_10 0.9900 . ?
P1_11 C13_11 1.827(15) . ?
P1_11 C1_11 1.839(14) . ?
P1_11 C7_11 1.842(13) . ?
P2_11 C21_11 1.819(12) . ?
P2_11 C14_11 1.839(15) . ?
P2_11 C15_11 1.844(13) . ?
C1_11 C6_11 1.527(16) . ?
C1_11 C2_11 1.535(17) . ?
C1_11 H1_11 1.0000 . ?
C2_11 C3_11 1.530(18) . ?
C2_11 H2A_11 0.9900 . ?
C2_11 H2B_11 0.9900 . ?
C3_11 C4_11 1.514(18) . ?
C3_11 H3A_11 0.9900 . ?
C3_11 H3B_11 0.9900 . ?
C4_11 C5_11 1.530(19) . ?
C4_11 H4A_11 0.9900 . ?
C4_11 H4B_11 0.9900 . ?
C5_11 C6_11 1.513(18) . ?
C5_11 H5A_11 0.9900 . ?
C5_11 H5B_11 0.9900 . ?
C6_11 H6A_11 0.9900 . ?
C6_11 H6B_11 0.9900 . ?
C7_11 C12_11 1.519(16) . ?
C7_11 C8_11 1.538(16) . ?
C7_11 H7_11 1.0000 . ?
C8_11 C9_11 1.503(17) . ?
C8_11 H8A_11 0.9900 . ?
C8_11 H8B_11 0.9900 . ?
C9_11 C10_11 1.516(18) . ?
C9_11 H9A_11 0.9900 . ?
C9_11 H9B_11 0.9900 . ?
C10_11 C11_11 1.515(17) . ?
C10_11 H10A_11 0.9900 . ?
C10_11 H10B_11 0.9900 . ?
C11_11 C12_11 1.541(17) . ?
C11_11 H11A_11 0.9900 . ?
C11_11 H11B_11 0.9900 . ?
C12_11 H12A_11 0.9900 . ?
C12_11 H12B_11 0.9900 . ?
C13_11 C14_11 1.56(2) . ?
C13_11 H13A_11 0.9900 . ?
C13_11 H13B_11 0.9900 . ?
C14_11 H14A_11 0.9900 . ?
C14_11 H14B_11 0.9900 . ?
C15_11 C16_11 1.481(17) . ?
C15_11 C20_11 1.518(17) . ?
C15_11 H15_11 1.0000 . ?
C16_11 C17_11 1.529(17) . ?
C16_11 H16A_11 0.9900 . ?
C16_11 H16B_11 0.9900 . ?
C17_11 C18_11 1.520(18) . ?
C17_11 H17A_11 0.9900 . ?
C17_11 H17B_11 0.9900 . ?
C18_11 C19_11 1.501(18) . ?
C18_11 H18A_11 0.9900 . ?
C18_11 H18B_11 0.9900 . ?
C19_11 C20_11 1.555(17) . ?
C19_11 H19A_11 0.9900 . ?
C19_11 H19B_11 0.9900 . ?
C20_11 H20A_11 0.9900 . ?
C20_11 H20B_11 0.9900 . ?
C21_11 C26_11 1.504(17) . ?
C21_11 C22_11 1.518(16) . ?
C21_11 H21_11 1.0000 . ?
C22_11 C23_11 1.518(16) . ?
C22_11 H22A_11 0.9900 . ?
C22_11 H22B_11 0.9900 . ?
C23_11 C24_11 1.488(19) . ?
C23_11 H23A_11 0.9900 . ?
C23_11 H23B_11 0.9900 . ?
C24_11 C25_11 1.510(18) . ?
C24_11 H24A_11 0.9900 . ?
C24_11 H24B_11 0.9900 . ?
C25_11 C26_11 1.514(16) . ?
C25_11 H25A_11 0.9900 . ?
C25_11 H25B_11 0.9900 . ?
C26_11 H26A_11 0.9900 . ?
C26_11 H26B_11 0.9900 . ?
P1_12 C7_12 1.824(13) . ?
P1_12 C1_12 1.835(13) . ?
P1_12 C13_12 1.840(15) . ?
P2_12 C14_12 1.832(14) . ?
P2_12 C15_12 1.841(15) . ?
P2_12 C21_12 1.870(13) . ?
C1_12 C2_12 1.497(17) . ?
C1_12 C6_12 1.534(16) . ?
C1_12 H1_12 1.0000 . ?
C2_12 C3_12 1.536(18) . ?
C2_12 H2A_12 0.9900 . ?
C2_12 H2B_12 0.9900 . ?
C3_12 C4_12 1.523(19) . ?
C3_12 H3A_12 0.9900 . ?
C3_12 H3B_12 0.9900 . ?
C4_12 C5_12 1.519(19) . ?
C4_12 H4A_12 0.9900 . ?
C4_12 H4B_12 0.9900 . ?
C5_12 C6_12 1.531(17) . ?
C5_12 H5A_12 0.9900 . ?
C5_12 H5B_12 0.9900 . ?
C6_12 H6A_12 0.9900 . ?
C6_12 H6B_12 0.9900 . ?
C7_12 C12_12 1.510(16) . ?
C7_12 C8_12 1.526(17) . ?
C7_12 H7_12 1.0000 . ?
C8_12 C9_12 1.510(18) . ?
C8_12 H8A_12 0.9900 . ?
C8_12 H8B_12 0.9900 . ?
C9_12 C10_12 1.526(18) . ?
C9_12 H9A_12 0.9900 . ?
C9_12 H9B_12 0.9900 . ?
C10_12 C11_12 1.529(18) . ?
C10_12 H10A_12 0.9900 . ?
C10_12 H10B_12 0.9900 . ?
C11_12 C12_12 1.514(17) . ?
C11_12 H11A_12 0.9900 . ?
C11_12 H11B_12 0.9900 . ?
C12_12 H12A_12 0.9900 . ?
C12_12 H12B_12 0.9900 . ?
C13_12 C14_12 1.535(18) . ?
C13_12 H13A_12 0.9900 . ?
C13_12 H13B_12 0.9900 . ?
C14_12 H14A_12 0.9900 . ?
C14_12 H14B_12 0.9900 . ?
C15_12 C20_12 1.464(18) . ?
C15_12 C16_12 1.480(17) . ?
C15_12 H15_12 1.0000 . ?
C16_12 C17_12 1.495(18) . ?
C16_12 H16A_12 0.9900 . ?
C16_12 H16B_12 0.9900 . ?
C17_12 C18_12 1.474(18) . ?
C17_12 H17A_12 0.9900 . ?
C17_12 H17B_12 0.9900 . ?
C18_12 C19_12 1.454(17) . ?
C18_12 H18A_12 0.9900 . ?
C18_12 H18B_12 0.9900 . ?
C19_12 C20_12 1.507(18) . ?
C19_12 H19A_12 0.9900 . ?
C19_12 H19B_12 0.9900 . ?
C20_12 H20A_12 0.9900 . ?
C20_12 H20B_12 0.9900 . ?
C21_12 C26_12 1.503(16) . ?
C21_12 C22_12 1.523(15) . ?
C21_12 H21_12 1.0000 . ?
C22_12 C23_12 1.535(16) . ?
C22_12 H22A_12 0.9900 . ?
C22_12 H22B_12 0.9900 . ?
C23_12 C24_12 1.524(16) . ?
C23_12 H23A_12 0.9900 . ?
C23_12 H23B_12 0.9900 . ?
C24_12 C25_12 1.599(18) . ?
C24_12 H24A_12 0.9900 . ?
C24_12 H24B_12 0.9900 . ?
C25_12 C26_12 1.527(16) . ?
C25_12 H25A_12 0.9900 . ?
C25_12 H25B_12 0.9900 . ?
C26_12 H26A_12 0.9900 . ?
C26_12 H26B_12 0.9900 . ?
O1_13 C1_13 1.355(18) . ?
C1_13 C3_13 1.534(18) . ?
C1_13 C4_13 1.548(18) . ?
C1_13 C2_13 1.550(18) . ?
C2_13 F1_13 1.326(19) . ?
C2_13 F3_13 1.330(19) . ?
C2_13 F2_13 1.357(19) . ?
C3_13 F6_13 1.313(18) . ?
C3_13 F5_13 1.329(19) . ?
C3_13 F4_13 1.348(19) . ?
C4_13 F9_13 1.333(19) . ?
C4_13 F8_13 1.340(18) . ?
C4_13 F7_13 1.362(18) . ?
O1_14 C1_14 1.348(19) . ?
C1_14 C3_14 1.534(18) . ?
C1_14 C4_14 1.542(18) . ?
C1_14 C2_14 1.552(18) . ?
C2_14 F3_14 1.323(19) . ?
C2_14 F1_14 1.337(19) . ?
C2_14 F2_14 1.35(2) . ?
C3_14 F4_14 1.327(19) . ?
C3_14 F6_14 1.342(19) . ?
C3_14 F5_14 1.362(19) . ?
C4_14 F8_14 1.328(19) . ?
C4_14 F9_14 1.329(19) . ?
C4_14 F7_14 1.347(19) . ?
O1_15 C1_15 1.333(17) . ?
C1_15 C2_15 1.532(18) . ?
C1_15 C4_15 1.554(18) . ?
C1_15 C3_15 1.558(18) . ?
C2_15 F2_15 1.340(18) . ?
C2_15 F3_15 1.353(19) . ?
C2_15 F1_15 1.355(18) . ?
C3_15 F4_15 1.309(18) . ?
C3_15 F6_15 1.332(18) . ?
C3_15 F5_15 1.345(18) . ?
C4_15 F8_15 1.321(18) . ?
C4_15 F7_15 1.349(19) . ?
C4_15 F9_15 1.360(18) . ?
O1_16 C1_16 1.350(19) . ?
C1_16 C2_16 1.542(18) . ?
C1_16 C4_16 1.558(18) . ?
C1_16 C3_16 1.560(18) . ?
C2_16 F2_16 1.336(19) . ?
C2_16 F3_16 1.350(19) . ?
C2_16 F1_16 1.356(18) . ?
C3_16 F4_16 1.324(18) . ?
C3_16 F5_16 1.331(19) . ?
C3_16 F6_16 1.345(17) . ?
C4_16 F7_16 1.336(19) . ?
C4_16 F9_16 1.341(19) . ?
C4_16 F8_16 1.350(19) . ?
O1_17 C1_17 1.359(19) . ?
C1_17 C2_17 1.543(18) . ?
C1_17 C4_17 1.547(18) . ?
C1_17 C3_17 1.551(18) . ?
C2_17 F2_17 1.340(19) . ?
C2_17 F1_17 1.347(19) . ?
C2_17 F3_17 1.350(19) . ?
C3_17 F6_17 1.325(19) . ?
C3_17 F4_17 1.326(18) . ?
C3_17 F5_17 1.346(19) . ?
C4_17 F8_17 1.334(19) . ?
C4_17 F7_17 1.340(19) . ?
C4_17 F9_17 1.357(19) . ?
O1_18 C1_18 1.36(2) . ?
C1_18 C4_18 1.541(19) . ?
C1_18 C3_18 1.554(19) . ?
C1_18 C2_18 1.562(19) . ?
C2_18 F3_18 1.32(2) . ?
C2_18 F2_18 1.34(2) . ?
C2_18 F1_18 1.34(2) . ?
C3_18 F6_18 1.34(2) . ?
C3_18 F4_18 1.35(2) . ?
C3_18 F5_18 1.36(2) . ?
C4_18 F7_18 1.33(2) . ?
C4_18 F8_18 1.34(2) . ?
C4_18 F9_18 1.34(2) . ?
O1_19 C1_19 1.34(2) . ?
C1_19 C2_19 1.540(19) . ?
C1_19 C3_19 1.545(19) . ?
C1_19 C4_19 1.56(2) . ?
C2_19 F3_19 1.33(2) . ?
C2_19 F1_19 1.33(2) . ?
C2_19 F2_19 1.35(2) . ?
C3_19 F5_19 1.34(2) . ?
C3_19 F6_19 1.34(2) . ?
C3_19 F4_19 1.34(2) . ?
C4_19 F9_19 1.32(2) . ?
C4_19 F7_19 1.33(2) . ?
C4_19 F8_19 1.35(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ga1 P2_10 110.3(6) . . ?
C1 Ga1 Ga2 118.6(5) . . ?
P2_10 Ga1 Ga2 115.14(11) . . ?
C1 Ga1 P1_10 105.6(5) . . ?
P2_10 Ga1 P1_10 84.60(14) . . ?
Ga2 Ga1 P1_10 117.43(12) . . ?
P2_9 Ga2 P1_9 86.06(14) . . ?
P2_9 Ga2 Ga1 115.85(12) . . ?
P1_9 Ga2 Ga1 118.79(13) . . ?
P2_9 Ga2 H1 128(7) . . ?
P1_9 Ga2 H1 102(7) . . ?
Ga1 Ga2 H1 105(7) . . ?
C3 Ga4 P2_12 104.0(7) . . ?
C3 Ga4 Ga3 122.5(7) . . ?
P2_12 Ga4 Ga3 113.15(14) . . ?
C3 Ga4 P1_12 105.4(8) . . ?
P2_12 Ga4 P1_12 85.94(16) . . ?
Ga3 Ga4 P1_12 119.12(16) . . ?
P2_11 Ga3 P1_11 85.58(15) . . ?
P2_11 Ga3 Ga4 115.42(13) . . ?
P1_11 Ga3 Ga4 124.11(16) . . ?
P2_11 Ga3 H2 102(9) . . ?
P1_11 Ga3 H2 99(9) . . ?
Ga4 Ga3 H2 123(8) . . ?
O1_1 Al1 O1_2 106.7(6) . . ?
O1_17 Al1 O1_19 98(2) . . ?
O1_1 Al1 O1_5 110.0(7) . . ?
O1_2 Al1 O1_5 106.5(6) . . ?
O1_1 Al1 O1_6 114.5(8) . . ?
O1_2 Al1 O1_6 109.5(8) . . ?
O1_5 Al1 O1_6 109.3(6) . . ?
O1_17 Al1 O1_14 109.3(14) . . ?
O1_19 Al1 O1_14 116.4(19) . . ?
O1_17 Al1 O1_18 103.6(15) . . ?
O1_19 Al1 O1_18 127(2) . . ?
O1_14 Al1 O1_18 101.1(15) . . ?
O1_4 Al2 O1_8 106.6(8) . . ?
O1_4 Al2 O1_3 116.0(9) . . ?
O1_8 Al2 O1_3 114.2(6) . . ?
O1_4 Al2 O1_7 109.3(7) . . ?
O1_8 Al2 O1_7 104.1(6) . . ?
O1_3 Al2 O1_7 105.9(8) . . ?
O1_16 Al2 O1_13 110.8(10) . . ?
O1_16 Al2 O1_15 102.8(11) . . ?
O1_13 Al2 O1_15 107.4(9) . . ?
N1 C2 C1 172(3) . . ?
C2 C1 Ga1 116.5(12) . . ?
C2 C1 H1A 108.2 . . ?
Ga1 C1 H1A 108.2 . . ?
C2 C1 H1B 108.2 . . ?
Ga1 C1 H1B 108.2 . . ?
H1A C1 H1B 107.3 . . ?
N2 C4 C3 159(4) . . ?
C4 C3 Ga4 111(2) . . ?
C4 C3 H3A 109.5 . . ?
Ga4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
Ga4 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C1_1 O1_1 Al1 151.3(13) . . ?
O1_1 C1_1 C2_1 105.6(12) . . ?
O1_1 C1_1 C4_1 111.4(11) . . ?
C2_1 C1_1 C4_1 107.7(10) . . ?
O1_1 C1_1 C3_1 110.2(10) . . ?
C2_1 C1_1 C3_1 112.1(11) . . ?
C4_1 C1_1 C3_1 109.7(11) . . ?
F3_1 C2_1 F1_1 108.5(15) . . ?
F3_1 C2_1 F2_1 104.4(16) . . ?
F1_1 C2_1 F2_1 102.9(14) . . ?
F3_1 C2_1 C1_1 115.0(13) . . ?
F1_1 C2_1 C1_1 113.3(13) . . ?
F2_1 C2_1 C1_1 111.8(14) . . ?
F6_1 C3_1 F4_1 110.1(13) . . ?
F6_1 C3_1 F5_1 107.3(13) . . ?
F4_1 C3_1 F5_1 110.5(14) . . ?
F6_1 C3_1 C1_1 111.7(12) . . ?
F4_1 C3_1 C1_1 110.5(12) . . ?
F5_1 C3_1 C1_1 106.7(11) . . ?
F9_1 C4_1 F7_1 107.7(13) . . ?
F9_1 C4_1 F8_1 112.2(13) . . ?
F7_1 C4_1 F8_1 106.1(13) . . ?
F9_1 C4_1 C1_1 109.9(12) . . ?
F7_1 C4_1 C1_1 109.1(11) . . ?
F8_1 C4_1 C1_1 111.7(12) . . ?
C1_2 O1_2 Al1 148.4(9) . . ?
O1_2 C1_2 C3_2 111.7(11) . . ?
O1_2 C1_2 C2_2 105.3(10) . . ?
C3_2 C1_2 C2_2 106.2(10) . . ?
O1_2 C1_2 C4_2 110.1(9) . . ?
C3_2 C1_2 C4_2 110.2(10) . . ?
C2_2 C1_2 C4_2 113.2(11) . . ?
F1_2 C2_2 F2_2 104.9(14) . . ?
F1_2 C2_2 F3_2 104.8(16) . . ?
F2_2 C2_2 F3_2 112.9(13) . . ?
F1_2 C2_2 C1_2 109.5(11) . . ?
F2_2 C2_2 C1_2 112.0(12) . . ?
F3_2 C2_2 C1_2 112.2(12) . . ?
F5_2 C3_2 F6_2 107.1(11) . . ?
F5_2 C3_2 F4_2 109.0(12) . . ?
F6_2 C3_2 F4_2 108.3(12) . . ?
F5_2 C3_2 C1_2 112.4(12) . . ?
F6_2 C3_2 C1_2 110.9(11) . . ?
F4_2 C3_2 C1_2 109.1(10) . . ?
F7_2 C4_2 F9_2 110.2(12) . . ?
F7_2 C4_2 F8_2 109.6(13) . . ?
F9_2 C4_2 F8_2 104.6(12) . . ?
F7_2 C4_2 C1_2 111.0(11) . . ?
F9_2 C4_2 C1_2 109.5(12) . . ?
F8_2 C4_2 C1_2 111.9(11) . . ?
C1_3 O1_3 Al2 150.1(13) . . ?
O1_3 C1_3 C2_3 109.2(12) . . ?
O1_3 C1_3 C3_3 110.4(12) . . ?
C2_3 C1_3 C3_3 113.0(13) . . ?
O1_3 C1_3 C4_3 104.8(13) . . ?
C2_3 C1_3 C4_3 111.8(12) . . ?
C3_3 C1_3 C4_3 107.3(13) . . ?
F3_3 C2_3 F2_3 108.1(14) . . ?
F3_3 C2_3 F1_3 105.0(13) . . ?
F2_3 C2_3 F1_3 104.1(13) . . ?
F3_3 C2_3 C1_3 115.0(12) . . ?
F2_3 C2_3 C1_3 113.9(14) . . ?
F1_3 C2_3 C1_3 109.9(13) . . ?
F6_3 C3_3 F4_3 112.0(19) . . ?
F6_3 C3_3 F5_3 107.0(18) . . ?
F4_3 C3_3 F5_3 107.5(17) . . ?
F6_3 C3_3 C1_3 111.7(15) . . ?
F4_3 C3_3 C1_3 107.3(15) . . ?
F5_3 C3_3 C1_3 111.2(14) . . ?
F9_3 C4_3 F8_3 110.6(19) . . ?
F9_3 C4_3 F7_3 113.8(19) . . ?
F8_3 C4_3 F7_3 105.3(17) . . ?
F9_3 C4_3 C1_3 112.1(15) . . ?
F8_3 C4_3 C1_3 109.7(17) . . ?
F7_3 C4_3 C1_3 104.9(15) . . ?
C1_4 O1_4 Al2 147.4(16) . . ?
O1_4 C1_4 C2_4 108.3(14) . . ?
O1_4 C1_4 C4_4 113.2(14) . . ?
C2_4 C1_4 C4_4 110.6(12) . . ?
O1_4 C1_4 C3_4 109.4(12) . . ?
C2_4 C1_4 C3_4 108.3(12) . . ?
C4_4 C1_4 C3_4 106.9(12) . . ?
F3_4 C2_4 F2_4 109.9(14) . . ?
F3_4 C2_4 F1_4 106.1(14) . . ?
F2_4 C2_4 F1_4 105.9(13) . . ?
F3_4 C2_4 C1_4 112.7(13) . . ?
F2_4 C2_4 C1_4 112.9(14) . . ?
F1_4 C2_4 C1_4 108.9(12) . . ?
F5_4 C3_4 F4_4 106.8(15) . . ?
F5_4 C3_4 F6_4 106.0(15) . . ?
F4_4 C3_4 F6_4 111.0(16) . . ?
F5_4 C3_4 C1_4 109.7(13) . . ?
F4_4 C3_4 C1_4 110.5(13) . . ?
F6_4 C3_4 C1_4 112.4(13) . . ?
F7_4 C4_4 F8_4 109.6(17) . . ?
F7_4 C4_4 F9_4 108.7(15) . . ?
F8_4 C4_4 F9_4 108.8(14) . . ?
F7_4 C4_4 C1_4 108.1(14) . . ?
F8_4 C4_4 C1_4 111.7(15) . . ?
F9_4 C4_4 C1_4 109.8(13) . . ?
C1_5 O1_5 Al1 147.7(11) . . ?
O1_5 C1_5 C4_5 111.6(11) . . ?
O1_5 C1_5 C2_5 109.8(10) . . ?
C4_5 C1_5 C2_5 110.3(11) . . ?
O1_5 C1_5 C3_5 107.8(11) . . ?
C4_5 C1_5 C3_5 107.7(10) . . ?
C2_5 C1_5 C3_5 109.6(10) . . ?
F3_5 C2_5 F1_5 108.8(15) . . ?
F3_5 C2_5 F2_5 111.2(14) . . ?
F1_5 C2_5 F2_5 105.1(15) . . ?
F3_5 C2_5 C1_5 112.1(13) . . ?
F1_5 C2_5 C1_5 109.2(12) . . ?
F2_5 C2_5 C1_5 110.3(12) . . ?
F5_5 C3_5 F4_5 108.4(12) . . ?
F5_5 C3_5 F6_5 105.0(11) . . ?
F4_5 C3_5 F6_5 107.0(12) . . ?
F5_5 C3_5 C1_5 112.2(11) . . ?
F4_5 C3_5 C1_5 112.8(10) . . ?
F6_5 C3_5 C1_5 111.0(11) . . ?
F8_5 C4_5 F7_5 108.4(13) . . ?
F8_5 C4_5 F9_5 104.7(11) . . ?
F7_5 C4_5 F9_5 107.7(13) . . ?
F8_5 C4_5 C1_5 112.9(11) . . ?
F7_5 C4_5 C1_5 111.7(11) . . ?
F9_5 C4_5 C1_5 111.1(12) . . ?
C1_6 O1_6 Al1 145.3(14) . . ?
O1_6 C1_6 C4_6 113.6(13) . . ?
O1_6 C1_6 C3_6 107.8(13) . . ?
C4_6 C1_6 C3_6 108.8(11) . . ?
O1_6 C1_6 C2_6 107.9(12) . . ?
C4_6 C1_6 C2_6 110.2(11) . . ?
C3_6 C1_6 C2_6 108.3(12) . . ?
F3_6 C2_6 F1_6 109.9(15) . . ?
F3_6 C2_6 F2_6 108.6(15) . . ?
F1_6 C2_6 F2_6 109.4(16) . . ?
F3_6 C2_6 C1_6 110.3(12) . . ?
F1_6 C2_6 C1_6 108.1(13) . . ?
F2_6 C2_6 C1_6 110.6(13) . . ?
F6_6 C3_6 F5_6 107.9(13) . . ?
F6_6 C3_6 F4_6 107.0(13) . . ?
F5_6 C3_6 F4_6 112.1(15) . . ?
F6_6 C3_6 C1_6 112.6(13) . . ?
F5_6 C3_6 C1_6 108.5(13) . . ?
F4_6 C3_6 C1_6 108.9(11) . . ?
F7_6 C4_6 F8_6 107.7(13) . . ?
F7_6 C4_6 F9_6 108.8(14) . . ?
F8_6 C4_6 F9_6 106.2(15) . . ?
F7_6 C4_6 C1_6 111.8(12) . . ?
F8_6 C4_6 C1_6 112.4(14) . . ?
F9_6 C4_6 C1_6 109.8(13) . . ?
C1_7 O1_7 Al2 150.8(11) . . ?
O1_7 C1_7 C2_7 111.1(11) . . ?
O1_7 C1_7 C4_7 108.5(11) . . ?
C2_7 C1_7 C4_7 110.2(12) . . ?
O1_7 C1_7 C3_7 109.0(12) . . ?
C2_7 C1_7 C3_7 107.3(11) . . ?
C4_7 C1_7 C3_7 110.8(11) . . ?
F3_7 C2_7 F2_7 106.9(15) . . ?
F3_7 C2_7 F1_7 106.5(15) . . ?
F2_7 C2_7 F1_7 108.8(13) . . ?
F3_7 C2_7 C1_7 111.1(11) . . ?
F2_7 C2_7 C1_7 113.7(13) . . ?
F1_7 C2_7 C1_7 109.6(14) . . ?
F5_7 C3_7 F4_7 105.7(13) . . ?
F5_7 C3_7 F6_7 109.7(14) . . ?
F4_7 C3_7 F6_7 107.7(12) . . ?
F5_7 C3_7 C1_7 112.8(12) . . ?
F4_7 C3_7 C1_7 111.1(11) . . ?
F6_7 C3_7 C1_7 109.6(12) . . ?
F7_7 C4_7 F9_7 106.0(15) . . ?
F7_7 C4_7 F8_7 111.0(16) . . ?
F9_7 C4_7 F8_7 104.3(15) . . ?
F7_7 C4_7 C1_7 111.1(13) . . ?
F9_7 C4_7 C1_7 111.4(13) . . ?
F8_7 C4_7 C1_7 112.7(14) . . ?
C1_8 O1_8 Al2 154.0(9) . . ?
O1_8 C1_8 C4_8 107.4(10) . . ?
O1_8 C1_8 C3_8 111.0(9) . . ?
C4_8 C1_8 C3_8 113.0(11) . . ?
O1_8 C1_8 C2_8 109.1(10) . . ?
C4_8 C1_8 C2_8 107.6(9) . . ?
C3_8 C1_8 C2_8 108.6(10) . . ?
F1_8 C2_8 F3_8 114.2(16) . . ?
F1_8 C2_8 F2_8 105.9(12) . . ?
F3_8 C2_8 F2_8 111.3(12) . . ?
F1_8 C2_8 C1_8 109.7(11) . . ?
F3_8 C2_8 C1_8 107.7(11) . . ?
F2_8 C2_8 C1_8 108.0(13) . . ?
F5_8 C3_8 F6_8 112.1(11) . . ?
F5_8 C3_8 F4_8 103.8(11) . . ?
F6_8 C3_8 F4_8 104.7(12) . . ?
F5_8 C3_8 C1_8 111.3(11) . . ?
F6_8 C3_8 C1_8 115.6(10) . . ?
F4_8 C3_8 C1_8 108.4(11) . . ?
F9_8 C4_8 F8_8 108.7(13) . . ?
F9_8 C4_8 F7_8 110.3(12) . . ?
F8_8 C4_8 F7_8 104.3(14) . . ?
F9_8 C4_8 C1_8 111.8(12) . . ?
F8_8 C4_8 C1_8 110.8(11) . . ?
F7_8 C4_8 C1_8 110.6(10) . . ?
C1_9 P1_9 C13_9 107.2(7) . . ?
C1_9 P1_9 C7_9 109.6(6) . . ?
C13_9 P1_9 C7_9 102.2(7) . . ?
C1_9 P1_9 Ga2 113.7(5) . . ?
C13_9 P1_9 Ga2 103.4(6) . . ?
C7_9 P1_9 Ga2 119.2(5) . . ?
C21_9 P2_9 C14_9 107.0(7) . . ?
C21_9 P2_9 C15_9 110.3(6) . . ?
C14_9 P2_9 C15_9 108.3(6) . . ?
C21_9 P2_9 Ga2 110.7(5) . . ?
C14_9 P2_9 Ga2 102.2(6) . . ?
C15_9 P2_9 Ga2 117.5(4) . . ?
C6_9 C1_9 C2_9 109.8(9) . . ?
C6_9 C1_9 P1_9 114.8(10) . . ?
C2_9 C1_9 P1_9 112.9(9) . . ?
C6_9 C1_9 H1_9 106.3 . . ?
C2_9 C1_9 H1_9 106.3 . . ?
P1_9 C1_9 H1_9 106.3 . . ?
C3_9 C2_9 C1_9 111.5(10) . . ?
C3_9 C2_9 H2A_9 109.3 . . ?
C1_9 C2_9 H2A_9 109.3 . . ?
C3_9 C2_9 H2B_9 109.3 . . ?
C1_9 C2_9 H2B_9 109.3 . . ?
H2A_9 C2_9 H2B_9 108.0 . . ?
C4_9 C3_9 C2_9 112.0(10) . . ?
C4_9 C3_9 H3A_9 109.2 . . ?
C2_9 C3_9 H3A_9 109.2 . . ?
C4_9 C3_9 H3B_9 109.2 . . ?
C2_9 C3_9 H3B_9 109.2 . . ?
H3A_9 C3_9 H3B_9 107.9 . . ?
C3_9 C4_9 C5_9 111.8(11) . . ?
C3_9 C4_9 H4A_9 109.3 . . ?
C5_9 C4_9 H4A_9 109.3 . . ?
C3_9 C4_9 H4B_9 109.3 . . ?
C5_9 C4_9 H4B_9 109.3 . . ?
H4A_9 C4_9 H4B_9 107.9 . . ?
C6_9 C5_9 C4_9 111.2(13) . . ?
C6_9 C5_9 H5A_9 109.4 . . ?
C4_9 C5_9 H5A_9 109.4 . . ?
C6_9 C5_9 H5B_9 109.4 . . ?
C4_9 C5_9 H5B_9 109.4 . . ?
H5A_9 C5_9 H5B_9 108.0 . . ?
C5_9 C6_9 C1_9 112.5(11) . . ?
C5_9 C6_9 H6A_9 109.1 . . ?
C1_9 C6_9 H6A_9 109.1 . . ?
C5_9 C6_9 H6B_9 109.1 . . ?
C1_9 C6_9 H6B_9 109.1 . . ?
H6A_9 C6_9 H6B_9 107.8 . . ?
C12_9 C7_9 C8_9 109.6(11) . . ?
C12_9 C7_9 P1_9 112.0(10) . . ?
C8_9 C7_9 P1_9 114.8(9) . . ?
C12_9 C7_9 H7_9 106.7 . . ?
C8_9 C7_9 H7_9 106.7 . . ?
P1_9 C7_9 H7_9 106.7 . . ?
C9_9 C8_9 C7_9 111.3(11) . . ?
C9_9 C8_9 H8A_9 109.4 . . ?
C7_9 C8_9 H8A_9 109.4 . . ?
C9_9 C8_9 H8B_9 109.4 . . ?
C7_9 C8_9 H8B_9 109.4 . . ?
H8A_9 C8_9 H8B_9 108.0 . . ?
C10_9 C9_9 C8_9 109.7(13) . . ?
C10_9 C9_9 H9A_9 109.7 . . ?
C8_9 C9_9 H9A_9 109.7 . . ?
C10_9 C9_9 H9B_9 109.7 . . ?
C8_9 C9_9 H9B_9 109.7 . . ?
H9A_9 C9_9 H9B_9 108.2 . . ?
C9_9 C10_9 C11_9 110.5(12) . . ?
C9_9 C10_9 H10A_9 109.5 . . ?
C11_9 C10_9 H10A_9 109.5 . . ?
C9_9 C10_9 H10B_9 109.5 . . ?
C11_9 C10_9 H10B_9 109.5 . . ?
H10A_9 C10_9 H10B_9 108.1 . . ?
C10_9 C11_9 C12_9 111.4(12) . . ?
C10_9 C11_9 H11A_9 109.4 . . ?
C12_9 C11_9 H11A_9 109.4 . . ?
C10_9 C11_9 H11B_9 109.4 . . ?
C12_9 C11_9 H11B_9 109.4 . . ?
H11A_9 C11_9 H11B_9 108.0 . . ?
C7_9 C12_9 C11_9 110.5(12) . . ?
C7_9 C12_9 H12A_9 109.5 . . ?
C11_9 C12_9 H12A_9 109.5 . . ?
C7_9 C12_9 H12B_9 109.5 . . ?
C11_9 C12_9 H12B_9 109.5 . . ?
H12A_9 C12_9 H12B_9 108.1 . . ?
C14_9 C13_9 P1_9 115.4(12) . . ?
C14_9 C13_9 H13A_9 108.4 . . ?
P1_9 C13_9 H13A_9 108.4 . . ?
C14_9 C13_9 H13B_9 108.4 . . ?
P1_9 C13_9 H13B_9 108.4 . . ?
H13A_9 C13_9 H13B_9 107.5 . . ?
C13_9 C14_9 P2_9 110.5(11) . . ?
C13_9 C14_9 H14A_9 109.5 . . ?
P2_9 C14_9 H14A_9 109.5 . . ?
C13_9 C14_9 H14B_9 109.5 . . ?
P2_9 C14_9 H14B_9 109.5 . . ?
H14A_9 C14_9 H14B_9 108.1 . . ?
C16_9 C15_9 C20_9 109.8(10) . . ?
C16_9 C15_9 P2_9 111.4(9) . . ?
C20_9 C15_9 P2_9 112.6(9) . . ?
C16_9 C15_9 H15_9 107.6 . . ?
C20_9 C15_9 H15_9 107.6 . . ?
P2_9 C15_9 H15_9 107.6 . . ?
C17_9 C16_9 C15_9 111.9(10) . . ?
C17_9 C16_9 H16A_9 109.2 . . ?
C15_9 C16_9 H16A_9 109.2 . . ?
C17_9 C16_9 H16B_9 109.2 . . ?
C15_9 C16_9 H16B_9 109.2 . . ?
H16A_9 C16_9 H16B_9 107.9 . . ?
C18_9 C17_9 C16_9 112.5(12) . . ?
C18_9 C17_9 H17A_9 109.1 . . ?
C16_9 C17_9 H17A_9 109.1 . . ?
C18_9 C17_9 H17B_9 109.1 . . ?
C16_9 C17_9 H17B_9 109.1 . . ?
H17A_9 C17_9 H17B_9 107.8 . . ?
C17_9 C18_9 C19_9 111.1(11) . . ?
C17_9 C18_9 H18A_9 109.4 . . ?
C19_9 C18_9 H18A_9 109.4 . . ?
C17_9 C18_9 H18B_9 109.4 . . ?
C19_9 C18_9 H18B_9 109.4 . . ?
H18A_9 C18_9 H18B_9 108.0 . . ?
C20_9 C19_9 C18_9 110.7(11) . . ?
C20_9 C19_9 H19A_9 109.5 . . ?
C18_9 C19_9 H19A_9 109.5 . . ?
C20_9 C19_9 H19B_9 109.5 . . ?
C18_9 C19_9 H19B_9 109.5 . . ?
H19A_9 C19_9 H19B_9 108.1 . . ?
C19_9 C20_9 C15_9 111.6(11) . . ?
C19_9 C20_9 H20A_9 109.3 . . ?
C15_9 C20_9 H20A_9 109.3 . . ?
C19_9 C20_9 H20B_9 109.3 . . ?
C15_9 C20_9 H20B_9 109.3 . . ?
H20A_9 C20_9 H20B_9 108.0 . . ?
C26_9 C21_9 C22_9 110.8(10) . . ?
C26_9 C21_9 P2_9 117.5(9) . . ?
C22_9 C21_9 P2_9 111.5(8) . . ?
C26_9 C21_9 H21_9 105.3 . . ?
C22_9 C21_9 H21_9 105.3 . . ?
P2_9 C21_9 H21_9 105.3 . . ?
C23_9 C22_9 C21_9 111.0(10) . . ?
C23_9 C22_9 H22A_9 109.4 . . ?
C21_9 C22_9 H22A_9 109.4 . . ?
C23_9 C22_9 H22B_9 109.4 . . ?
C21_9 C22_9 H22B_9 109.4 . . ?
H22A_9 C22_9 H22B_9 108.0 . . ?
C22_9 C23_9 C24_9 111.5(12) . . ?
C22_9 C23_9 H23A_9 109.3 . . ?
C24_9 C23_9 H23A_9 109.3 . . ?
C22_9 C23_9 H23B_9 109.3 . . ?
C24_9 C23_9 H23B_9 109.3 . . ?
H23A_9 C23_9 H23B_9 108.0 . . ?
C25_9 C24_9 C23_9 110.7(13) . . ?
C25_9 C24_9 H24A_9 109.5 . . ?
C23_9 C24_9 H24A_9 109.5 . . ?
C25_9 C24_9 H24B_9 109.5 . . ?
C23_9 C24_9 H24B_9 109.5 . . ?
H24A_9 C24_9 H24B_9 108.1 . . ?
C24_9 C25_9 C26_9 109.6(11) . . ?
C24_9 C25_9 H25A_9 109.8 . . ?
C26_9 C25_9 H25A_9 109.8 . . ?
C24_9 C25_9 H25B_9 109.8 . . ?
C26_9 C25_9 H25B_9 109.8 . . ?
H25A_9 C25_9 H25B_9 108.2 . . ?
C21_9 C26_9 C25_9 112.5(11) . . ?
C21_9 C26_9 H26A_9 109.1 . . ?
C25_9 C26_9 H26A_9 109.1 . . ?
C21_9 C26_9 H26B_9 109.1 . . ?
C25_9 C26_9 H26B_9 109.1 . . ?
H26A_9 C26_9 H26B_9 107.8 . . ?
C7_10 P1_10 C13_10 106.3(8) . . ?
C7_10 P1_10 C1_10 108.7(6) . . ?
C13_10 P1_10 C1_10 104.5(7) . . ?
C7_10 P1_10 Ga1 114.8(5) . . ?
C13_10 P1_10 Ga1 105.2(5) . . ?
C1_10 P1_10 Ga1 116.2(5) . . ?
C14_10 P2_10 C21_10 107.9(7) . . ?
C14_10 P2_10 C15_10 107.7(6) . . ?
C21_10 P2_10 C15_10 110.9(6) . . ?
C14_10 P2_10 Ga1 101.8(5) . . ?
C21_10 P2_10 Ga1 108.6(5) . . ?
C15_10 P2_10 Ga1 119.1(5) . . ?
C2_10 C1_10 C6_10 111.4(10) . . ?
C2_10 C1_10 P1_10 113.9(8) . . ?
C6_10 C1_10 P1_10 111.4(9) . . ?
C2_10 C1_10 H1_10 106.5 . . ?
C6_10 C1_10 H1_10 106.5 . . ?
P1_10 C1_10 H1_10 106.5 . . ?
C1_10 C2_10 C3_10 113.2(10) . . ?
C1_10 C2_10 H2A_10 108.9 . . ?
C3_10 C2_10 H2A_10 108.9 . . ?
C1_10 C2_10 H2B_10 108.9 . . ?
C3_10 C2_10 H2B_10 108.9 . . ?
H2A_10 C2_10 H2B_10 107.8 . . ?
C4_10 C3_10 C2_10 110.4(11) . . ?
C4_10 C3_10 H3A_10 109.6 . . ?
C2_10 C3_10 H3A_10 109.6 . . ?
C4_10 C3_10 H3B_10 109.6 . . ?
C2_10 C3_10 H3B_10 109.6 . . ?
H3A_10 C3_10 H3B_10 108.1 . . ?
C3_10 C4_10 C5_10 111.3(12) . . ?
C3_10 C4_10 H4A_10 109.4 . . ?
C5_10 C4_10 H4A_10 109.4 . . ?
C3_10 C4_10 H4B_10 109.4 . . ?
C5_10 C4_10 H4B_10 109.4 . . ?
H4A_10 C4_10 H4B_10 108.0 . . ?
C4_10 C5_10 C6_10 110.2(11) . . ?
C4_10 C5_10 H5A_10 109.6 . . ?
C6_10 C5_10 H5A_10 109.6 . . ?
C4_10 C5_10 H5B_10 109.6 . . ?
C6_10 C5_10 H5B_10 109.6 . . ?
H5A_10 C5_10 H5B_10 108.1 . . ?
C1_10 C6_10 C5_10 111.7(10) . . ?
C1_10 C6_10 H6A_10 109.3 . . ?
C5_10 C6_10 H6A_10 109.3 . . ?
C1_10 C6_10 H6B_10 109.3 . . ?
C5_10 C6_10 H6B_10 109.3 . . ?
H6A_10 C6_10 H6B_10 108.0 . . ?
C8_10 C7_10 C12_10 112.5(12) . . ?
C8_10 C7_10 P1_10 112.6(9) . . ?
C12_10 C7_10 P1_10 111.5(9) . . ?
C8_10 C7_10 H7_10 106.6 . . ?
C12_10 C7_10 H7_10 106.6 . . ?
P1_10 C7_10 H7_10 106.6 . . ?
C7_10 C8_10 C9_10 111.8(11) . . ?
C7_10 C8_10 H8A_10 109.3 . . ?
C9_10 C8_10 H8A_10 109.3 . . ?
C7_10 C8_10 H8B_10 109.3 . . ?
C9_10 C8_10 H8B_10 109.3 . . ?
H8A_10 C8_10 H8B_10 107.9 . . ?
C10_10 C9_10 C8_10 113.2(13) . . ?
C10_10 C9_10 H9A_10 108.9 . . ?
C8_10 C9_10 H9A_10 108.9 . . ?
C10_10 C9_10 H9B_10 108.9 . . ?
C8_10 C9_10 H9B_10 108.9 . . ?
H9A_10 C9_10 H9B_10 107.7 . . ?
C9_10 C10_10 C11_10 112.7(14) . . ?
C9_10 C10_10 H10A_10 109.0 . . ?
C11_10 C10_10 H10A_10 109.0 . . ?
C9_10 C10_10 H10B_10 109.0 . . ?
C11_10 C10_10 H10B_10 109.0 . . ?
H10A_10 C10_10 H10B_10 107.8 . . ?
C12_10 C11_10 C10_10 110.4(12) . . ?
C12_10 C11_10 H11A_10 109.6 . . ?
C10_10 C11_10 H11A_10 109.6 . . ?
C12_10 C11_10 H11B_10 109.6 . . ?
C10_10 C11_10 H11B_10 109.6 . . ?
H11A_10 C11_10 H11B_10 108.1 . . ?
C11_10 C12_10 C7_10 110.5(12) . . ?
C11_10 C12_10 H12A_10 109.5 . . ?
C7_10 C12_10 H12A_10 109.5 . . ?
C11_10 C12_10 H12B_10 109.5 . . ?
C7_10 C12_10 H12B_10 109.5 . . ?
H12A_10 C12_10 H12B_10 108.1 . . ?
C14_10 C13_10 P1_10 110.7(11) . . ?
C14_10 C13_10 H13A_10 109.5 . . ?
P1_10 C13_10 H13A_10 109.5 . . ?
C14_10 C13_10 H13B_10 109.5 . . ?
P1_10 C13_10 H13B_10 109.5 . . ?
H13A_10 C13_10 H13B_10 108.1 . . ?
C13_10 C14_10 P2_10 111.6(10) . . ?
C13_10 C14_10 H14A_10 109.3 . . ?
P2_10 C14_10 H14A_10 109.3 . . ?
C13_10 C14_10 H14B_10 109.3 . . ?
P2_10 C14_10 H14B_10 109.3 . . ?
H14A_10 C14_10 H14B_10 108.0 . . ?
C16_10 C15_10 C20_10 111.3(11) . . ?
C16_10 C15_10 P2_10 110.7(9) . . ?
C20_10 C15_10 P2_10 113.6(10) . . ?
C16_10 C15_10 H15_10 107.0 . . ?
C20_10 C15_10 H15_10 107.0 . . ?
P2_10 C15_10 H15_10 107.0 . . ?
C15_10 C16_10 C17_10 111.6(11) . . ?
C15_10 C16_10 H16A_10 109.3 . . ?
C17_10 C16_10 H16A_10 109.3 . . ?
C15_10 C16_10 H16B_10 109.3 . . ?
C17_10 C16_10 H16B_10 109.3 . . ?
H16A_10 C16_10 H16B_10 108.0 . . ?
C18_10 C17_10 C16_10 111.7(11) . . ?
C18_10 C17_10 H17A_10 109.3 . . ?
C16_10 C17_10 H17A_10 109.3 . . ?
C18_10 C17_10 H17B_10 109.3 . . ?
C16_10 C17_10 H17B_10 109.3 . . ?
H17A_10 C17_10 H17B_10 107.9 . . ?
C19_10 C18_10 C17_10 110.2(11) . . ?
C19_10 C18_10 H18A_10 109.6 . . ?
C17_10 C18_10 H18A_10 109.6 . . ?
C19_10 C18_10 H18B_10 109.6 . . ?
C17_10 C18_10 H18B_10 109.6 . . ?
H18A_10 C18_10 H18B_10 108.1 . . ?
C18_10 C19_10 C20_10 111.6(12) . . ?
C18_10 C19_10 H19A_10 109.3 . . ?
C20_10 C19_10 H19A_10 109.3 . . ?
C18_10 C19_10 H19B_10 109.3 . . ?
C20_10 C19_10 H19B_10 109.3 . . ?
H19A_10 C19_10 H19B_10 108.0 . . ?
C19_10 C20_10 C15_10 111.3(11) . . ?
C19_10 C20_10 H20A_10 109.4 . . ?
C15_10 C20_10 H20A_10 109.4 . . ?
C19_10 C20_10 H20B_10 109.4 . . ?
C15_10 C20_10 H20B_10 109.4 . . ?
H20A_10 C20_10 H20B_10 108.0 . . ?
C26_10 C21_10 C22_10 110.8(10) . . ?
C26_10 C21_10 P2_10 115.8(9) . . ?
C22_10 C21_10 P2_10 112.0(9) . . ?
C26_10 C21_10 H21_10 105.8 . . ?
C22_10 C21_10 H21_10 105.8 . . ?
P2_10 C21_10 H21_10 105.8 . . ?
C23_10 C22_10 C21_10 110.3(11) . . ?
C23_10 C22_10 H22A_10 109.6 . . ?
C21_10 C22_10 H22A_10 109.6 . . ?
C23_10 C22_10 H22B_10 109.6 . . ?
C21_10 C22_10 H22B_10 109.6 . . ?
H22A_10 C22_10 H22B_10 108.1 . . ?
C24_10 C23_10 C22_10 111.4(13) . . ?
C24_10 C23_10 H23A_10 109.3 . . ?
C22_10 C23_10 H23A_10 109.3 . . ?
C24_10 C23_10 H23B_10 109.3 . . ?
C22_10 C23_10 H23B_10 109.3 . . ?
H23A_10 C23_10 H23B_10 108.0 . . ?
C23_10 C24_10 C25_10 109.4(14) . . ?
C23_10 C24_10 H24A_10 109.8 . . ?
C25_10 C24_10 H24A_10 109.8 . . ?
C23_10 C24_10 H24B_10 109.8 . . ?
C25_10 C24_10 H24B_10 109.8 . . ?
H24A_10 C24_10 H24B_10 108.3 . . ?
C26_10 C25_10 C24_10 109.9(12) . . ?
C26_10 C25_10 H25A_10 109.7 . . ?
C24_10 C25_10 H25A_10 109.7 . . ?
C26_10 C25_10 H25B_10 109.7 . . ?
C24_10 C25_10 H25B_10 109.7 . . ?
H25A_10 C25_10 H25B_10 108.2 . . ?
C21_10 C26_10 C25_10 110.3(12) . . ?
C21_10 C26_10 H26A_10 109.6 . . ?
C25_10 C26_10 H26A_10 109.6 . . ?
C21_10 C26_10 H26B_10 109.6 . . ?
C25_10 C26_10 H26B_10 109.6 . . ?
H26A_10 C26_10 H26B_10 108.1 . . ?
C13_11 P1_11 C1_11 107.3(9) . . ?
C13_11 P1_11 C7_11 107.9(8) . . ?
C1_11 P1_11 C7_11 112.0(8) . . ?
C13_11 P1_11 Ga3 104.1(6) . . ?
C1_11 P1_11 Ga3 106.1(6) . . ?
C7_11 P1_11 Ga3 118.7(5) . . ?
C21_11 P2_11 C14_11 106.8(8) . . ?
C21_11 P2_11 C15_11 106.8(8) . . ?
C14_11 P2_11 C15_11 107.7(9) . . ?
C21_11 P2_11 Ga3 117.1(7) . . ?
C14_11 P2_11 Ga3 105.0(6) . . ?
C15_11 P2_11 Ga3 112.9(6) . . ?
C6_11 C1_11 C2_11 109.2(12) . . ?
C6_11 C1_11 P1_11 112.0(11) . . ?
C2_11 C1_11 P1_11 116.6(11) . . ?
C6_11 C1_11 H1_11 106.1 . . ?
C2_11 C1_11 H1_11 106.1 . . ?
P1_11 C1_11 H1_11 106.1 . . ?
C3_11 C2_11 C1_11 108.8(13) . . ?
C3_11 C2_11 H2A_11 109.9 . . ?
C1_11 C2_11 H2A_11 109.9 . . ?
C3_11 C2_11 H2B_11 109.9 . . ?
C1_11 C2_11 H2B_11 109.9 . . ?
H2A_11 C2_11 H2B_11 108.3 . . ?
C4_11 C3_11 C2_11 112.4(13) . . ?
C4_11 C3_11 H3A_11 109.1 . . ?
C2_11 C3_11 H3A_11 109.1 . . ?
C4_11 C3_11 H3B_11 109.1 . . ?
C2_11 C3_11 H3B_11 109.1 . . ?
H3A_11 C3_11 H3B_11 107.9 . . ?
C3_11 C4_11 C5_11 110.7(14) . . ?
C3_11 C4_11 H4A_11 109.5 . . ?
C5_11 C4_11 H4A_11 109.5 . . ?
C3_11 C4_11 H4B_11 109.5 . . ?
C5_11 C4_11 H4B_11 109.5 . . ?
H4A_11 C4_11 H4B_11 108.1 . . ?
C6_11 C5_11 C4_11 109.9(14) . . ?
C6_11 C5_11 H5A_11 109.7 . . ?
C4_11 C5_11 H5A_11 109.7 . . ?
C6_11 C5_11 H5B_11 109.7 . . ?
C4_11 C5_11 H5B_11 109.7 . . ?
H5A_11 C5_11 H5B_11 108.2 . . ?
C5_11 C6_11 C1_11 111.7(13) . . ?
C5_11 C6_11 H6A_11 109.3 . . ?
C1_11 C6_11 H6A_11 109.3 . . ?
C5_11 C6_11 H6B_11 109.3 . . ?
C1_11 C6_11 H6B_11 109.3 . . ?
H6A_11 C6_11 H6B_11 107.9 . . ?
C12_11 C7_11 C8_11 110.5(12) . . ?
C12_11 C7_11 P1_11 110.8(10) . . ?
C8_11 C7_11 P1_11 114.0(11) . . ?
C12_11 C7_11 H7_11 107.0 . . ?
C8_11 C7_11 H7_11 107.0 . . ?
P1_11 C7_11 H7_11 107.0 . . ?
C9_11 C8_11 C7_11 111.9(13) . . ?
C9_11 C8_11 H8A_11 109.2 . . ?
C7_11 C8_11 H8A_11 109.2 . . ?
C9_11 C8_11 H8B_11 109.2 . . ?
C7_11 C8_11 H8B_11 109.2 . . ?
H8A_11 C8_11 H8B_11 107.9 . . ?
C8_11 C9_11 C10_11 112.4(13) . . ?
C8_11 C9_11 H9A_11 109.1 . . ?
C10_11 C9_11 H9A_11 109.1 . . ?
C8_11 C9_11 H9B_11 109.1 . . ?
C10_11 C9_11 H9B_11 109.1 . . ?
H9A_11 C9_11 H9B_11 107.9 . . ?
C11_11 C10_11 C9_11 111.2(13) . . ?
C11_11 C10_11 H10A_11 109.4 . . ?
C9_11 C10_11 H10A_11 109.4 . . ?
C11_11 C10_11 H10B_11 109.4 . . ?
C9_11 C10_11 H10B_11 109.4 . . ?
H10A_11 C10_11 H10B_11 108.0 . . ?
C10_11 C11_11 C12_11 110.1(13) . . ?
C10_11 C11_11 H11A_11 109.6 . . ?
C12_11 C11_11 H11A_11 109.6 . . ?
C10_11 C11_11 H11B_11 109.6 . . ?
C12_11 C11_11 H11B_11 109.6 . . ?
H11A_11 C11_11 H11B_11 108.2 . . ?
C7_11 C12_11 C11_11 111.5(11) . . ?
C7_11 C12_11 H12A_11 109.3 . . ?
C11_11 C12_11 H12A_11 109.3 . . ?
C7_11 C12_11 H12B_11 109.3 . . ?
C11_11 C12_11 H12B_11 109.3 . . ?
H12A_11 C12_11 H12B_11 108.0 . . ?
C14_11 C13_11 P1_11 111.9(12) . . ?
C14_11 C13_11 H13A_11 109.2 . . ?
P1_11 C13_11 H13A_11 109.2 . . ?
C14_11 C13_11 H13B_11 109.2 . . ?
P1_11 C13_11 H13B_11 109.2 . . ?
H13A_11 C13_11 H13B_11 107.9 . . ?
C13_11 C14_11 P2_11 110.5(13) . . ?
C13_11 C14_11 H14A_11 109.5 . . ?
P2_11 C14_11 H14A_11 109.5 . . ?
C13_11 C14_11 H14B_11 109.5 . . ?
P2_11 C14_11 H14B_11 109.5 . . ?
H14A_11 C14_11 H14B_11 108.1 . . ?
C16_11 C15_11 C20_11 114.5(14) . . ?
C16_11 C15_11 P2_11 111.1(11) . . ?
C20_11 C15_11 P2_11 113.1(11) . . ?
C16_11 C15_11 H15_11 105.8 . . ?
C20_11 C15_11 H15_11 105.8 . . ?
P2_11 C15_11 H15_11 105.8 . . ?
C15_11 C16_11 C17_11 113.6(14) . . ?
C15_11 C16_11 H16A_11 108.8 . . ?
C17_11 C16_11 H16A_11 108.8 . . ?
C15_11 C16_11 H16B_11 108.8 . . ?
C17_11 C16_11 H16B_11 108.8 . . ?
H16A_11 C16_11 H16B_11 107.7 . . ?
C18_11 C17_11 C16_11 110.7(13) . . ?
C18_11 C17_11 H17A_11 109.5 . . ?
C16_11 C17_11 H17A_11 109.5 . . ?
C18_11 C17_11 H17B_11 109.5 . . ?
C16_11 C17_11 H17B_11 109.5 . . ?
H17A_11 C17_11 H17B_11 108.1 . . ?
C19_11 C18_11 C17_11 112.9(14) . . ?
C19_11 C18_11 H18A_11 109.0 . . ?
C17_11 C18_11 H18A_11 109.0 . . ?
C19_11 C18_11 H18B_11 109.0 . . ?
C17_11 C18_11 H18B_11 109.0 . . ?
H18A_11 C18_11 H18B_11 107.8 . . ?
C18_11 C19_11 C20_11 110.1(13) . . ?
C18_11 C19_11 H19A_11 109.6 . . ?
C20_11 C19_11 H19A_11 109.6 . . ?
C18_11 C19_11 H19B_11 109.6 . . ?
C20_11 C19_11 H19B_11 109.6 . . ?
H19A_11 C19_11 H19B_11 108.2 . . ?
C15_11 C20_11 C19_11 109.5(13) . . ?
C15_11 C20_11 H20A_11 109.8 . . ?
C19_11 C20_11 H20A_11 109.8 . . ?
C15_11 C20_11 H20B_11 109.8 . . ?
C19_11 C20_11 H20B_11 109.8 . . ?
H20A_11 C20_11 H20B_11 108.2 . . ?
C26_11 C21_11 C22_11 109.5(13) . . ?
C26_11 C21_11 P2_11 116.7(11) . . ?
C22_11 C21_11 P2_11 111.6(10) . . ?
C26_11 C21_11 H21_11 106.1 . . ?
C22_11 C21_11 H21_11 106.1 . . ?
P2_11 C21_11 H21_11 106.1 . . ?
C23_11 C22_11 C21_11 112.5(11) . . ?
C23_11 C22_11 H22A_11 109.1 . . ?
C21_11 C22_11 H22A_11 109.1 . . ?
C23_11 C22_11 H22B_11 109.1 . . ?
C21_11 C22_11 H22B_11 109.1 . . ?
H22A_11 C22_11 H22B_11 107.8 . . ?
C24_11 C23_11 C22_11 115.5(13) . . ?
C24_11 C23_11 H23A_11 108.4 . . ?
C22_11 C23_11 H23A_11 108.4 . . ?
C24_11 C23_11 H23B_11 108.4 . . ?
C22_11 C23_11 H23B_11 108.4 . . ?
H23A_11 C23_11 H23B_11 107.5 . . ?
C23_11 C24_11 C25_11 113.3(15) . . ?
C23_11 C24_11 H24A_11 108.9 . . ?
C25_11 C24_11 H24A_11 108.9 . . ?
C23_11 C24_11 H24B_11 108.9 . . ?
C25_11 C24_11 H24B_11 108.9 . . ?
H24A_11 C24_11 H24B_11 107.7 . . ?
C24_11 C25_11 C26_11 115.4(12) . . ?
C24_11 C25_11 H25A_11 108.4 . . ?
C26_11 C25_11 H25A_11 108.4 . . ?
C24_11 C25_11 H25B_11 108.4 . . ?
C26_11 C25_11 H25B_11 108.4 . . ?
H25A_11 C25_11 H25B_11 107.5 . . ?
C21_11 C26_11 C25_11 111.2(12) . . ?
C21_11 C26_11 H26A_11 109.4 . . ?
C25_11 C26_11 H26A_11 109.4 . . ?
C21_11 C26_11 H26B_11 109.4 . . ?
C25_11 C26_11 H26B_11 109.4 . . ?
H26A_11 C26_11 H26B_11 108.0 . . ?
C7_12 P1_12 C1_12 112.4(8) . . ?
C7_12 P1_12 C13_12 106.7(8) . . ?
C1_12 P1_12 C13_12 105.9(9) . . ?
C7_12 P1_12 Ga4 119.7(5) . . ?
C1_12 P1_12 Ga4 107.8(7) . . ?
C13_12 P1_12 Ga4 103.1(6) . . ?
C14_12 P2_12 C15_12 106.5(8) . . ?
C14_12 P2_12 C21_12 105.3(8) . . ?
C15_12 P2_12 C21_12 106.7(11) . . ?
C14_12 P2_12 Ga4 103.6(6) . . ?
C15_12 P2_12 Ga4 124.4(9) . . ?
C21_12 P2_12 Ga4 108.8(6) . . ?
C2_12 C1_12 C6_12 111.6(13) . . ?
C2_12 C1_12 P1_12 118.3(12) . . ?
C6_12 C1_12 P1_12 111.5(10) . . ?
C2_12 C1_12 H1_12 104.7 . . ?
C6_12 C1_12 H1_12 104.7 . . ?
P1_12 C1_12 H1_12 104.7 . . ?
C1_12 C2_12 C3_12 112.8(14) . . ?
C1_12 C2_12 H2A_12 109.0 . . ?
C3_12 C2_12 H2A_12 109.0 . . ?
C1_12 C2_12 H2B_12 109.0 . . ?
C3_12 C2_12 H2B_12 109.0 . . ?
H2A_12 C2_12 H2B_12 107.8 . . ?
C4_12 C3_12 C2_12 110.6(14) . . ?
C4_12 C3_12 H3A_12 109.5 . . ?
C2_12 C3_12 H3A_12 109.5 . . ?
C4_12 C3_12 H3B_12 109.5 . . ?
C2_12 C3_12 H3B_12 109.5 . . ?
H3A_12 C3_12 H3B_12 108.1 . . ?
C5_12 C4_12 C3_12 110.1(14) . . ?
C5_12 C4_12 H4A_12 109.6 . . ?
C3_12 C4_12 H4A_12 109.6 . . ?
C5_12 C4_12 H4B_12 109.6 . . ?
C3_12 C4_12 H4B_12 109.6 . . ?
H4A_12 C4_12 H4B_12 108.2 . . ?
C4_12 C5_12 C6_12 111.3(14) . . ?
C4_12 C5_12 H5A_12 109.4 . . ?
C6_12 C5_12 H5A_12 109.4 . . ?
C4_12 C5_12 H5B_12 109.4 . . ?
C6_12 C5_12 H5B_12 109.4 . . ?
H5A_12 C5_12 H5B_12 108.0 . . ?
C5_12 C6_12 C1_12 108.7(12) . . ?
C5_12 C6_12 H6A_12 109.9 . . ?
C1_12 C6_12 H6A_12 109.9 . . ?
C5_12 C6_12 H6B_12 109.9 . . ?
C1_12 C6_12 H6B_12 109.9 . . ?
H6A_12 C6_12 H6B_12 108.3 . . ?
C12_12 C7_12 C8_12 112.0(13) . . ?
C12_12 C7_12 P1_12 110.7(10) . . ?
C8_12 C7_12 P1_12 113.4(11) . . ?
C12_12 C7_12 H7_12 106.8 . . ?
C8_12 C7_12 H7_12 106.8 . . ?
P1_12 C7_12 H7_12 106.8 . . ?
C9_12 C8_12 C7_12 111.2(13) . . ?
C9_12 C8_12 H8A_12 109.4 . . ?
C7_12 C8_12 H8A_12 109.4 . . ?
C9_12 C8_12 H8B_12 109.4 . . ?
C7_12 C8_12 H8B_12 109.4 . . ?
H8A_12 C8_12 H8B_12 108.0 . . ?
C8_12 C9_12 C10_12 111.6(14) . . ?
C8_12 C9_12 H9A_12 109.3 . . ?
C10_12 C9_12 H9A_12 109.3 . . ?
C8_12 C9_12 H9B_12 109.3 . . ?
C10_12 C9_12 H9B_12 109.3 . . ?
H9A_12 C9_12 H9B_12 108.0 . . ?
C9_12 C10_12 C11_12 110.4(14) . . ?
C9_12 C10_12 H10A_12 109.6 . . ?
C11_12 C10_12 H10A_12 109.6 . . ?
C9_12 C10_12 H10B_12 109.6 . . ?
C11_12 C10_12 H10B_12 109.6 . . ?
H10A_12 C10_12 H10B_12 108.1 . . ?
C12_12 C11_12 C10_12 111.1(13) . . ?
C12_12 C11_12 H11A_12 109.4 . . ?
C10_12 C11_12 H11A_12 109.4 . . ?
C12_12 C11_12 H11B_12 109.4 . . ?
C10_12 C11_12 H11B_12 109.4 . . ?
H11A_12 C11_12 H11B_12 108.0 . . ?
C7_12 C12_12 C11_12 112.3(12) . . ?
C7_12 C12_12 H12A_12 109.1 . . ?
C11_12 C12_12 H12A_12 109.1 . . ?
C7_12 C12_12 H12B_12 109.1 . . ?
C11_12 C12_12 H12B_12 109.1 . . ?
H12A_12 C12_12 H12B_12 107.9 . . ?
C14_12 C13_12 P1_12 112.0(12) . . ?
C14_12 C13_12 H13A_12 109.2 . . ?
P1_12 C13_12 H13A_12 109.2 . . ?
C14_12 C13_12 H13B_12 109.2 . . ?
P1_12 C13_12 H13B_12 109.2 . . ?
H13A_12 C13_12 H13B_12 107.9 . . ?
C13_12 C14_12 P2_12 111.5(12) . . ?
C13_12 C14_12 H14A_12 109.3 . . ?
P2_12 C14_12 H14A_12 109.3 . . ?
C13_12 C14_12 H14B_12 109.3 . . ?
P2_12 C14_12 H14B_12 109.3 . . ?
H14A_12 C14_12 H14B_12 108.0 . . ?
C20_12 C15_12 C16_12 119.6(13) . . ?
C20_12 C15_12 P2_12 118.0(13) . . ?
C16_12 C15_12 P2_12 113.4(14) . . ?
C20_12 C15_12 H15_12 100.1 . . ?
C16_12 C15_12 H15_12 100.1 . . ?
P2_12 C15_12 H15_12 100.1 . . ?
C15_12 C16_12 C17_12 117.2(13) . . ?
C15_12 C16_12 H16A_12 108.0 . . ?
C17_12 C16_12 H16A_12 108.0 . . ?
C15_12 C16_12 H16B_12 108.0 . . ?
C17_12 C16_12 H16B_12 108.0 . . ?
H16A_12 C16_12 H16B_12 107.2 . . ?
C18_12 C17_12 C16_12 116.8(14) . . ?
C18_12 C17_12 H17A_12 108.1 . . ?
C16_12 C17_12 H17A_12 108.1 . . ?
C18_12 C17_12 H17B_12 108.1 . . ?
C16_12 C17_12 H17B_12 108.1 . . ?
H17A_12 C17_12 H17B_12 107.3 . . ?
C19_12 C18_12 C17_12 120.2(13) . . ?
C19_12 C18_12 H18A_12 107.3 . . ?
C17_12 C18_12 H18A_12 107.3 . . ?
C19_12 C18_12 H18B_12 107.3 . . ?
C17_12 C18_12 H18B_12 107.3 . . ?
H18A_12 C18_12 H18B_12 106.9 . . ?
C18_12 C19_12 C20_12 117.2(13) . . ?
C18_12 C19_12 H19A_12 108.0 . . ?
C20_12 C19_12 H19A_12 108.0 . . ?
C18_12 C19_12 H19B_12 108.0 . . ?
C20_12 C19_12 H19B_12 108.0 . . ?
H19A_12 C19_12 H19B_12 107.2 . . ?
C15_12 C20_12 C19_12 116.1(14) . . ?
C15_12 C20_12 H20A_12 108.3 . . ?
C19_12 C20_12 H20A_12 108.3 . . ?
C15_12 C20_12 H20B_12 108.3 . . ?
C19_12 C20_12 H20B_12 108.3 . . ?
H20A_12 C20_12 H20B_12 107.4 . . ?
C26_12 C21_12 C22_12 112.3(11) . . ?
C26_12 C21_12 P2_12 116.2(10) . . ?
C22_12 C21_12 P2_12 108.8(9) . . ?
C26_12 C21_12 H21_12 106.3 . . ?
C22_12 C21_12 H21_12 106.3 . . ?
P2_12 C21_12 H21_12 106.3 . . ?
C21_12 C22_12 C23_12 110.6(11) . . ?
C21_12 C22_12 H22A_12 109.5 . . ?
C23_12 C22_12 H22A_12 109.5 . . ?
C21_12 C22_12 H22B_12 109.5 . . ?
C23_12 C22_12 H22B_12 109.5 . . ?
H22A_12 C22_12 H22B_12 108.1 . . ?
C24_12 C23_12 C22_12 110.6(12) . . ?
C24_12 C23_12 H23A_12 109.5 . . ?
C22_12 C23_12 H23A_12 109.5 . . ?
C24_12 C23_12 H23B_12 109.5 . . ?
C22_12 C23_12 H23B_12 109.5 . . ?
H23A_12 C23_12 H23B_12 108.1 . . ?
C23_12 C24_12 C25_12 105.3(12) . . ?
C23_12 C24_12 H24A_12 110.7 . . ?
C25_12 C24_12 H24A_12 110.7 . . ?
C23_12 C24_12 H24B_12 110.7 . . ?
C25_12 C24_12 H24B_12 110.7 . . ?
H24A_12 C24_12 H24B_12 108.8 . . ?
C26_12 C25_12 C24_12 108.1(12) . . ?
C26_12 C25_12 H25A_12 110.1 . . ?
C24_12 C25_12 H25A_12 110.1 . . ?
C26_12 C25_12 H25B_12 110.1 . . ?
C24_12 C25_12 H25B_12 110.1 . . ?
H25A_12 C25_12 H25B_12 108.4 . . ?
C21_12 C26_12 C25_12 112.4(11) . . ?
C21_12 C26_12 H26A_12 109.1 . . ?
C25_12 C26_12 H26A_12 109.1 . . ?
C21_12 C26_12 H26B_12 109.1 . . ?
C25_12 C26_12 H26B_12 109.1 . . ?
H26A_12 C26_12 H26B_12 107.9 . . ?
C1_13 O1_13 Al2 145.5(15) . . ?
O1_13 C1_13 C3_13 112.6(15) . . ?
O1_13 C1_13 C4_13 110.9(15) . . ?
C3_13 C1_13 C4_13 108.1(15) . . ?
O1_13 C1_13 C2_13 108.0(15) . . ?
C3_13 C1_13 C2_13 110.7(15) . . ?
C4_13 C1_13 C2_13 106.3(15) . . ?
F1_13 C2_13 F3_13 105(2) . . ?
F1_13 C2_13 F2_13 108(2) . . ?
F3_13 C2_13 F2_13 113(2) . . ?
F1_13 C2_13 C1_13 114.7(17) . . ?
F3_13 C2_13 C1_13 108.6(18) . . ?
F2_13 C2_13 C1_13 107(2) . . ?
F6_13 C3_13 F5_13 106(2) . . ?
F6_13 C3_13 F4_13 109(2) . . ?
F5_13 C3_13 F4_13 107(2) . . ?
F6_13 C3_13 C1_13 114.8(17) . . ?
F5_13 C3_13 C1_13 110.2(17) . . ?
F4_13 C3_13 C1_13 108.9(17) . . ?
F9_13 C4_13 F8_13 112(2) . . ?
F9_13 C4_13 F7_13 112(2) . . ?
F8_13 C4_13 F7_13 103.9(19) . . ?
F9_13 C4_13 C1_13 108.6(17) . . ?
F8_13 C4_13 C1_13 112.1(18) . . ?
F7_13 C4_13 C1_13 108.1(16) . . ?
C1_14 O1_14 Al1 149.0(18) . . ?
O1_14 C1_14 C3_14 107.4(17) . . ?
O1_14 C1_14 C4_14 110.1(16) . . ?
C3_14 C1_14 C4_14 110.8(16) . . ?
O1_14 C1_14 C2_14 110.1(17) . . ?
C3_14 C1_14 C2_14 110.1(16) . . ?
C4_14 C1_14 C2_14 108.3(16) . . ?
F3_14 C2_14 F1_14 107(2) . . ?
F3_14 C2_14 F2_14 106(2) . . ?
F1_14 C2_14 F2_14 109(2) . . ?
F3_14 C2_14 C1_14 110(2) . . ?
F1_14 C2_14 C1_14 114(2) . . ?
F2_14 C2_14 C1_14 109(2) . . ?
F4_14 C3_14 F6_14 105(2) . . ?
F4_14 C3_14 F5_14 107(2) . . ?
F6_14 C3_14 F5_14 110(2) . . ?
F4_14 C3_14 C1_14 116(2) . . ?
F6_14 C3_14 C1_14 107.4(19) . . ?
F5_14 C3_14 C1_14 111.9(18) . . ?
F8_14 C4_14 F9_14 112(2) . . ?
F8_14 C4_14 F7_14 105(2) . . ?
F9_14 C4_14 F7_14 109(2) . . ?
F8_14 C4_14 C1_14 115(2) . . ?
F9_14 C4_14 C1_14 107.2(18) . . ?
F7_14 C4_14 C1_14 109.9(18) . . ?
C1_15 O1_15 Al2 145.6(14) . . ?
O1_15 C1_15 C2_15 108.7(15) . . ?
O1_15 C1_15 C4_15 108.7(15) . . ?
C2_15 C1_15 C4_15 115.0(15) . . ?
O1_15 C1_15 C3_15 107.9(15) . . ?
C2_15 C1_15 C3_15 110.5(15) . . ?
C4_15 C1_15 C3_15 105.8(14) . . ?
F2_15 C2_15 F3_15 106(2) . . ?
F2_15 C2_15 F1_15 110.0(19) . . ?
F3_15 C2_15 F1_15 106(2) . . ?
F2_15 C2_15 C1_15 112(2) . . ?
F3_15 C2_15 C1_15 109.6(16) . . ?
F1_15 C2_15 C1_15 113.4(18) . . ?
F4_15 C3_15 F6_15 109(2) . . ?
F4_15 C3_15 F5_15 107.9(18) . . ?
F6_15 C3_15 F5_15 107.0(17) . . ?
F4_15 C3_15 C1_15 112.8(16) . . ?
F6_15 C3_15 C1_15 111.2(16) . . ?
F5_15 C3_15 C1_15 108.8(16) . . ?
F8_15 C4_15 F7_15 108(2) . . ?
F8_15 C4_15 F9_15 105.2(18) . . ?
F7_15 C4_15 F9_15 112(2) . . ?
F8_15 C4_15 C1_15 111.0(19) . . ?
F7_15 C4_15 C1_15 107.5(16) . . ?
F9_15 C4_15 C1_15 113.6(18) . . ?
C1_16 O1_16 Al2 150(2) . . ?
O1_16 C1_16 C2_16 111.4(17) . . ?
O1_16 C1_16 C4_16 107.7(18) . . ?
C2_16 C1_16 C4_16 109.1(15) . . ?
O1_16 C1_16 C3_16 111.7(17) . . ?
C2_16 C1_16 C3_16 109.0(15) . . ?
C4_16 C1_16 C3_16 107.8(15) . . ?
F2_16 C2_16 F3_16 105(2) . . ?
F2_16 C2_16 F1_16 113(2) . . ?
F3_16 C2_16 F1_16 104.5(19) . . ?
F2_16 C2_16 C1_16 113(2) . . ?
F3_16 C2_16 C1_16 111.8(18) . . ?
F1_16 C2_16 C1_16 109.0(18) . . ?
F4_16 C3_16 F5_16 108.6(18) . . ?
F4_16 C3_16 F6_16 108.4(18) . . ?
F5_16 C3_16 F6_16 109.2(19) . . ?
F4_16 C3_16 C1_16 110.8(16) . . ?
F5_16 C3_16 C1_16 109.9(15) . . ?
F6_16 C3_16 C1_16 109.9(16) . . ?
F7_16 C4_16 F9_16 109(2) . . ?
F7_16 C4_16 F8_16 107(2) . . ?
F9_16 C4_16 F8_16 109(2) . . ?
F7_16 C4_16 C1_16 111.0(17) . . ?
F9_16 C4_16 C1_16 110.6(17) . . ?
F8_16 C4_16 C1_16 110.4(17) . . ?
C1_17 O1_17 Al1 155(3) . . ?
O1_17 C1_17 C2_17 113(2) . . ?
O1_17 C1_17 C4_17 107(2) . . ?
C2_17 C1_17 C4_17 109.1(16) . . ?
O1_17 C1_17 C3_17 108.2(19) . . ?
C2_17 C1_17 C3_17 107.8(15) . . ?
C4_17 C1_17 C3_17 112.1(16) . . ?
F2_17 C2_17 F1_17 111(2) . . ?
F2_17 C2_17 F3_17 105(2) . . ?
F1_17 C2_17 F3_17 104(2) . . ?
F2_17 C2_17 C1_17 116(2) . . ?
F1_17 C2_17 C1_17 108.8(19) . . ?
F3_17 C2_17 C1_17 111(2) . . ?
F6_17 C3_17 F4_17 106.9(19) . . ?
F6_17 C3_17 F5_17 102(2) . . ?
F4_17 C3_17 F5_17 111(2) . . ?
F6_17 C3_17 C1_17 112.9(19) . . ?
F4_17 C3_17 C1_17 113.7(17) . . ?
F5_17 C3_17 C1_17 109.6(16) . . ?
F8_17 C4_17 F7_17 105(2) . . ?
F8_17 C4_17 F9_17 108(2) . . ?
F7_17 C4_17 F9_17 106(2) . . ?
F8_17 C4_17 C1_17 111.5(19) . . ?
F7_17 C4_17 C1_17 112.4(19) . . ?
F9_17 C4_17 C1_17 113.2(18) . . ?
C1_18 O1_18 Al1 144(2) . . ?
O1_18 C1_18 C4_18 114(2) . . ?
O1_18 C1_18 C3_18 104.5(19) . . ?
C4_18 C1_18 C3_18 116.1(19) . . ?
O1_18 C1_18 C2_18 112(2) . . ?
C4_18 C1_18 C2_18 104.5(18) . . ?
C3_18 C1_18 C2_18 106.6(18) . . ?
F3_18 C2_18 F2_18 111(3) . . ?
F3_18 C2_18 F1_18 103(2) . . ?
F2_18 C2_18 F1_18 108(3) . . ?
F3_18 C2_18 C1_18 109(2) . . ?
F2_18 C2_18 C1_18 116(2) . . ?
F1_18 C2_18 C1_18 109(2) . . ?
F6_18 C3_18 F4_18 110(3) . . ?
F6_18 C3_18 F5_18 113(3) . . ?
F4_18 C3_18 F5_18 108(3) . . ?
F6_18 C3_18 C1_18 109(2) . . ?
F4_18 C3_18 C1_18 112(2) . . ?
F5_18 C3_18 C1_18 105(2) . . ?
F7_18 C4_18 F8_18 107(2) . . ?
F7_18 C4_18 F9_18 105(3) . . ?
F8_18 C4_18 F9_18 105(3) . . ?
F7_18 C4_18 C1_18 117(2) . . ?
F8_18 C4_18 C1_18 113(2) . . ?
F9_18 C4_18 C1_18 109(2) . . ?
C1_19 O1_19 Al1 153(4) . . ?
O1_19 C1_19 C2_19 114(3) . . ?
O1_19 C1_19 C3_19 109(2) . . ?
C2_19 C1_19 C3_19 112(2) . . ?
O1_19 C1_19 C4_19 107(2) . . ?
C2_19 C1_19 C4_19 105(2) . . ?
C3_19 C1_19 C4_19 108(2) . . ?
F3_19 C2_19 F1_19 107(3) . . ?
F3_19 C2_19 F2_19 107(3) . . ?
F1_19 C2_19 F2_19 108(3) . . ?
F3_19 C2_19 C1_19 115(3) . . ?
F1_19 C2_19 C1_19 111(3) . . ?
F2_19 C2_19 C1_19 109(3) . . ?
F5_19 C3_19 F6_19 107(3) . . ?
F5_19 C3_19 F4_19 109(3) . . ?
F6_19 C3_19 F4_19 109(3) . . ?
F5_19 C3_19 C1_19 112(3) . . ?
F6_19 C3_19 C1_19 110(3) . . ?
F4_19 C3_19 C1_19 110(3) . . ?
F9_19 C4_19 F7_19 113(3) . . ?
F9_19 C4_19 F8_19 108(3) . . ?
F7_19 C4_19 F8_19 105(3) . . ?
F9_19 C4_19 C1_19 112(2) . . ?
F7_19 C4_19 C1_19 112(3) . . ?
F8_19 C4_19 C1_19 106(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C4 C3 Ga4 -107(12) . . . . ?
O1_2 Al1 O1_1 C1_1 53(2) . . . . ?
O1_5 Al1 O1_1 C1_1 168(2) . . . . ?
O1_6 Al1 O1_1 C1_1 -69(2) . . . . ?
Al1 O1_1 C1_1 C2_1 171(2) . . . . ?
Al1 O1_1 C1_1 C4_1 54(3) . . . . ?
Al1 O1_1 C1_1 C3_1 -68(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 -40.9(18) . . . . ?
C4_1 C1_1 C2_1 F3_1 78.2(17) . . . . ?
C3_1 C1_1 C2_1 F3_1 -161.0(15) . . . . ?
O1_1 C1_1 C2_1 F1_1 -166.4(14) . . . . ?
C4_1 C1_1 C2_1 F1_1 -47.2(17) . . . . ?
C3_1 C1_1 C2_1 F1_1 73.6(17) . . . . ?
O1_1 C1_1 C2_1 F2_1 77.9(16) . . . . ?
C4_1 C1_1 C2_1 F2_1 -163.0(13) . . . . ?
C3_1 C1_1 C2_1 F2_1 -42.2(17) . . . . ?
O1_1 C1_1 C3_1 F6_1 -151.8(14) . . . . ?
C2_1 C1_1 C3_1 F6_1 -34.4(17) . . . . ?
C4_1 C1_1 C3_1 F6_1 85.2(15) . . . . ?
O1_1 C1_1 C3_1 F4_1 85.2(15) . . . . ?
C2_1 C1_1 C3_1 F4_1 -157.4(12) . . . . ?
C4_1 C1_1 C3_1 F4_1 -37.8(15) . . . . ?
O1_1 C1_1 C3_1 F5_1 -34.8(17) . . . . ?
C2_1 C1_1 C3_1 F5_1 82.5(15) . . . . ?
C4_1 C1_1 C3_1 F5_1 -157.8(13) . . . . ?
O1_1 C1_1 C4_1 F9_1 73.3(16) . . . . ?
C2_1 C1_1 C4_1 F9_1 -42.1(16) . . . . ?
C3_1 C1_1 C4_1 F9_1 -164.4(13) . . . . ?
O1_1 C1_1 C4_1 F7_1 -44.5(15) . . . . ?
C2_1 C1_1 C4_1 F7_1 -159.9(12) . . . . ?
C3_1 C1_1 C4_1 F7_1 77.7(13) . . . . ?
O1_1 C1_1 C4_1 F8_1 -161.5(12) . . . . ?
C2_1 C1_1 C4_1 F8_1 83.1(14) . . . . ?
C3_1 C1_1 C4_1 F8_1 -39.2(15) . . . . ?
O1_1 Al1 O1_2 C1_2 -144.7(19) . . . . ?
O1_5 Al1 O1_2 C1_2 98(2) . . . . ?
O1_6 Al1 O1_2 C1_2 -20(2) . . . . ?
Al1 O1_2 C1_2 C3_2 -68(2) . . . . ?
Al1 O1_2 C1_2 C2_2 177.0(17) . . . . ?
Al1 O1_2 C1_2 C4_2 55(2) . . . . ?
O1_2 C1_2 C2_2 F1_2 -74.5(16) . . . . ?
C3_2 C1_2 C2_2 F1_2 167.0(14) . . . . ?
C4_2 C1_2 C2_2 F1_2 45.9(17) . . . . ?
O1_2 C1_2 C2_2 F2_2 169.6(13) . . . . ?
C3_2 C1_2 C2_2 F2_2 51.1(16) . . . . ?
C4_2 C1_2 C2_2 F2_2 -70.0(15) . . . . ?
O1_2 C1_2 C2_2 F3_2 41.4(16) . . . . ?
C3_2 C1_2 C2_2 F3_2 -77.1(15) . . . . ?
C4_2 C1_2 C2_2 F3_2 161.8(12) . . . . ?
O1_2 C1_2 C3_2 F5_2 -73.3(14) . . . . ?
C2_2 C1_2 C3_2 F5_2 41.0(15) . . . . ?
C4_2 C1_2 C3_2 F5_2 164.0(11) . . . . ?
O1_2 C1_2 C3_2 F6_2 166.9(11) . . . . ?
C2_2 C1_2 C3_2 F6_2 -78.9(14) . . . . ?
C4_2 C1_2 C3_2 F6_2 44.1(14) . . . . ?
O1_2 C1_2 C3_2 F4_2 47.7(14) . . . . ?
C2_2 C1_2 C3_2 F4_2 162.0(12) . . . . ?
C4_2 C1_2 C3_2 F4_2 -75.0(13) . . . . ?
O1_2 C1_2 C4_2 F7_2 -82.3(13) . . . . ?
C3_2 C1_2 C4_2 F7_2 41.3(13) . . . . ?
C2_2 C1_2 C4_2 F7_2 160.1(11) . . . . ?
O1_2 C1_2 C4_2 F9_2 39.5(14) . . . . ?
C3_2 C1_2 C4_2 F9_2 163.1(11) . . . . ?
C2_2 C1_2 C4_2 F9_2 -78.1(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 154.9(12) . . . . ?
C3_2 C1_2 C4_2 F8_2 -81.4(14) . . . . ?
C2_2 C1_2 C4_2 F8_2 37.3(16) . . . . ?
O1_4 Al2 O1_3 C1_3 74(2) . . . . ?
O1_8 Al2 O1_3 C1_3 -51(2) . . . . ?
O1_7 Al2 O1_3 C1_3 -165(2) . . . . ?
Al2 O1_3 C1_3 C2_3 -55(3) . . . . ?
Al2 O1_3 C1_3 C3_3 70(3) . . . . ?
Al2 O1_3 C1_3 C4_3 -174.5(18) . . . . ?
O1_3 C1_3 C2_3 F3_3 41.9(18) . . . . ?
C3_3 C1_3 C2_3 F3_3 -81.4(16) . . . . ?
C4_3 C1_3 C2_3 F3_3 157.5(14) . . . . ?
O1_3 C1_3 C2_3 F2_3 167.4(14) . . . . ?
C3_3 C1_3 C2_3 F2_3 44.2(18) . . . . ?
C4_3 C1_3 C2_3 F2_3 -77.0(17) . . . . ?
O1_3 C1_3 C2_3 F1_3 -76.2(16) . . . . ?
C3_3 C1_3 C2_3 F1_3 160.5(14) . . . . ?
C4_3 C1_3 C2_3 F1_3 39.3(18) . . . . ?
O1_3 C1_3 C3_3 F6_3 157(2) . . . . ?
C2_3 C1_3 C3_3 F6_3 -81(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 43(2) . . . . ?
O1_3 C1_3 C3_3 F4_3 33.7(19) . . . . ?
C2_3 C1_3 C3_3 F4_3 156.4(15) . . . . ?
C4_3 C1_3 C3_3 F4_3 -80.0(17) . . . . ?
O1_3 C1_3 C3_3 F5_3 -83.7(18) . . . . ?
C2_3 C1_3 C3_3 F5_3 39.0(19) . . . . ?
C4_3 C1_3 C3_3 F5_3 162.7(15) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.0(19) . . . . ?
C2_3 C1_3 C4_3 F9_3 -74.2(19) . . . . ?
C3_3 C1_3 C4_3 F9_3 161.3(17) . . . . ?
O1_3 C1_3 C4_3 F8_3 167.3(17) . . . . ?
C2_3 C1_3 C4_3 F8_3 49(2) . . . . ?
C3_3 C1_3 C4_3 F8_3 -75(2) . . . . ?
O1_3 C1_3 C4_3 F7_3 -80.0(17) . . . . ?
C2_3 C1_3 C4_3 F7_3 161.8(16) . . . . ?
C3_3 C1_3 C4_3 F7_3 37.4(19) . . . . ?
O1_8 Al2 O1_4 C1_4 -155(3) . . . . ?
O1_3 Al2 O1_4 C1_4 77(3) . . . . ?
O1_7 Al2 O1_4 C1_4 -43(3) . . . . ?
Al2 O1_4 C1_4 C2_4 112(3) . . . . ?
Al2 O1_4 C1_4 C4_4 -11(4) . . . . ?
Al2 O1_4 C1_4 C3_4 -130(3) . . . . ?
O1_4 C1_4 C2_4 F3_4 68.9(17) . . . . ?
C4_4 C1_4 C2_4 F3_4 -166.6(13) . . . . ?
C3_4 C1_4 C2_4 F3_4 -49.7(17) . . . . ?
O1_4 C1_4 C2_4 F2_4 -165.9(15) . . . . ?
C4_4 C1_4 C2_4 F2_4 -41.3(17) . . . . ?
C3_4 C1_4 C2_4 F2_4 75.6(16) . . . . ?
O1_4 C1_4 C2_4 F1_4 -48.6(16) . . . . ?
C4_4 C1_4 C2_4 F1_4 76.0(15) . . . . ?
C3_4 C1_4 C2_4 F1_4 -167.1(13) . . . . ?
O1_4 C1_4 C3_4 F5_4 -42(2) . . . . ?
C2_4 C1_4 C3_4 F5_4 75.8(16) . . . . ?
C4_4 C1_4 C3_4 F5_4 -165.0(14) . . . . ?
O1_4 C1_4 C3_4 F4_4 75.4(19) . . . . ?
C2_4 C1_4 C3_4 F4_4 -166.7(14) . . . . ?
C4_4 C1_4 C3_4 F4_4 -47.5(17) . . . . ?
O1_4 C1_4 C3_4 F6_4 -159.9(18) . . . . ?
C2_4 C1_4 C3_4 F6_4 -42.0(19) . . . . ?
C4_4 C1_4 C3_4 F6_4 77.2(18) . . . . ?
O1_4 C1_4 C4_4 F7_4 -40(2) . . . . ?
C2_4 C1_4 C4_4 F7_4 -161.9(15) . . . . ?
C3_4 C1_4 C4_4 F7_4 80.4(17) . . . . ?
O1_4 C1_4 C4_4 F8_4 -160.8(17) . . . . ?
C2_4 C1_4 C4_4 F8_4 77.4(17) . . . . ?
C3_4 C1_4 C4_4 F8_4 -40.3(18) . . . . ?
O1_4 C1_4 C4_4 F9_4 78.3(17) . . . . ?
C2_4 C1_4 C4_4 F9_4 -43.4(17) . . . . ?
C3_4 C1_4 C4_4 F9_4 -161.2(14) . . . . ?
O1_1 Al1 O1_5 C1_5 -40(2) . . . . ?
O1_2 Al1 O1_5 C1_5 75(2) . . . . ?
O1_6 Al1 O1_5 C1_5 -167(2) . . . . ?
Al1 O1_5 C1_5 C4_5 -16(2) . . . . ?
Al1 O1_5 C1_5 C2_5 106(2) . . . . ?
Al1 O1_5 C1_5 C3_5 -134.4(18) . . . . ?
O1_5 C1_5 C2_5 F3_5 74.6(14) . . . . ?
C4_5 C1_5 C2_5 F3_5 -161.9(12) . . . . ?
C3_5 C1_5 C2_5 F3_5 -43.5(15) . . . . ?
O1_5 C1_5 C2_5 F1_5 -46.0(18) . . . . ?
C4_5 C1_5 C2_5 F1_5 77.4(16) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.2(14) . . . . ?
O1_5 C1_5 C2_5 F2_5 -161.0(14) . . . . ?
C4_5 C1_5 C2_5 F2_5 -37.5(16) . . . . ?
C3_5 C1_5 C2_5 F2_5 80.9(15) . . . . ?
O1_5 C1_5 C3_5 F5_5 -44.0(15) . . . . ?
C4_5 C1_5 C3_5 F5_5 -164.6(12) . . . . ?
C2_5 C1_5 C3_5 F5_5 75.4(14) . . . . ?
O1_5 C1_5 C3_5 F4_5 78.7(14) . . . . ?
C4_5 C1_5 C3_5 F4_5 -41.8(15) . . . . ?
C2_5 C1_5 C3_5 F4_5 -161.9(12) . . . . ?
O1_5 C1_5 C3_5 F6_5 -161.2(11) . . . . ?
C4_5 C1_5 C3_5 F6_5 78.3(13) . . . . ?
C2_5 C1_5 C3_5 F6_5 -41.8(14) . . . . ?
O1_5 C1_5 C4_5 F8_5 -163.0(13) . . . . ?
C2_5 C1_5 C4_5 F8_5 74.6(14) . . . . ?
C3_5 C1_5 C4_5 F8_5 -44.9(15) . . . . ?
O1_5 C1_5 C4_5 F7_5 -40.6(16) . . . . ?
C2_5 C1_5 C4_5 F7_5 -162.9(11) . . . . ?
C3_5 C1_5 C4_5 F7_5 77.6(13) . . . . ?
O1_5 C1_5 C4_5 F9_5 79.7(15) . . . . ?
C2_5 C1_5 C4_5 F9_5 -42.6(15) . . . . ?
C3_5 C1_5 C4_5 F9_5 -162.2(12) . . . . ?
O1_1 Al1 O1_6 C1_6 -85(3) . . . . ?
O1_2 Al1 O1_6 C1_6 155(3) . . . . ?
O1_5 Al1 O1_6 C1_6 39(3) . . . . ?
Al1 O1_6 C1_6 C4_6 16(3) . . . . ?
Al1 O1_6 C1_6 C3_6 -105(3) . . . . ?
Al1 O1_6 C1_6 C2_6 138(2) . . . . ?
O1_6 C1_6 C2_6 F3_6 39.8(19) . . . . ?
C4_6 C1_6 C2_6 F3_6 164.4(14) . . . . ?
C3_6 C1_6 C2_6 F3_6 -76.7(16) . . . . ?
O1_6 C1_6 C2_6 F1_6 -80.4(18) . . . . ?
C4_6 C1_6 C2_6 F1_6 44.2(17) . . . . ?
C3_6 C1_6 C2_6 F1_6 163.1(13) . . . . ?
O1_6 C1_6 C2_6 F2_6 159.8(17) . . . . ?
C4_6 C1_6 C2_6 F2_6 -75.6(18) . . . . ?
C3_6 C1_6 C2_6 F2_6 43.3(18) . . . . ?
O1_6 C1_6 C3_6 F6_6 167.5(14) . . . . ?
C4_6 C1_6 C3_6 F6_6 43.9(16) . . . . ?
C2_6 C1_6 C3_6 F6_6 -75.9(16) . . . . ?
O1_6 C1_6 C3_6 F5_6 -73.2(15) . . . . ?
C4_6 C1_6 C3_6 F5_6 163.2(13) . . . . ?
C2_6 C1_6 C3_6 F5_6 43.4(16) . . . . ?
O1_6 C1_6 C3_6 F4_6 49.0(16) . . . . ?
C4_6 C1_6 C3_6 F4_6 -74.6(14) . . . . ?
C2_6 C1_6 C3_6 F4_6 165.6(13) . . . . ?
O1_6 C1_6 C4_6 F7_6 -82.0(17) . . . . ?
C3_6 C1_6 C4_6 F7_6 38.0(16) . . . . ?
C2_6 C1_6 C4_6 F7_6 156.7(13) . . . . ?
O1_6 C1_6 C4_6 F8_6 156.7(16) . . . . ?
C3_6 C1_6 C4_6 F8_6 -83.2(16) . . . . ?
C2_6 C1_6 C4_6 F8_6 35.4(18) . . . . ?
O1_6 C1_6 C4_6 F9_6 38.8(18) . . . . ?
C3_6 C1_6 C4_6 F9_6 158.9(13) . . . . ?
C2_6 C1_6 C4_6 F9_6 -82.5(15) . . . . ?
O1_4 Al2 O1_7 C1_7 170(2) . . . . ?
O1_8 Al2 O1_7 C1_7 -76(2) . . . . ?
O1_3 Al2 O1_7 C1_7 45(2) . . . . ?
Al2 O1_7 C1_7 C2_7 11(3) . . . . ?
Al2 O1_7 C1_7 C4_7 -110(2) . . . . ?
Al2 O1_7 C1_7 C3_7 129(2) . . . . ?
O1_7 C1_7 C2_7 F3_7 41.3(17) . . . . ?
C4_7 C1_7 C2_7 F3_7 161.6(13) . . . . ?
C3_7 C1_7 C2_7 F3_7 -77.7(15) . . . . ?
O1_7 C1_7 C2_7 F2_7 162.0(14) . . . . ?
C4_7 C1_7 C2_7 F2_7 -77.8(16) . . . . ?
C3_7 C1_7 C2_7 F2_7 43.0(17) . . . . ?
O1_7 C1_7 C2_7 F1_7 -76.1(16) . . . . ?
C4_7 C1_7 C2_7 F1_7 44.1(17) . . . . ?
C3_7 C1_7 C2_7 F1_7 164.9(13) . . . . ?
O1_7 C1_7 C3_7 F5_7 -73.5(16) . . . . ?
C2_7 C1_7 C3_7 F5_7 46.9(17) . . . . ?
C4_7 C1_7 C3_7 F5_7 167.3(14) . . . . ?
O1_7 C1_7 C3_7 F4_7 45.0(16) . . . . ?
C2_7 C1_7 C3_7 F4_7 165.3(12) . . . . ?
C4_7 C1_7 C3_7 F4_7 -74.3(15) . . . . ?
O1_7 C1_7 C3_7 F6_7 163.9(12) . . . . ?
C2_7 C1_7 C3_7 F6_7 -75.8(14) . . . . ?
C4_7 C1_7 C3_7 F6_7 44.6(15) . . . . ?
O1_7 C1_7 C4_7 F7_7 -73.8(15) . . . . ?
C2_7 C1_7 C4_7 F7_7 164.3(13) . . . . ?
C3_7 C1_7 C4_7 F7_7 45.7(16) . . . . ?
O1_7 C1_7 C4_7 F9_7 44.0(19) . . . . ?
C2_7 C1_7 C4_7 F9_7 -77.8(17) . . . . ?
C3_7 C1_7 C4_7 F9_7 163.6(15) . . . . ?
O1_7 C1_7 C4_7 F8_7 160.9(15) . . . . ?
C2_7 C1_7 C4_7 F8_7 39.1(18) . . . . ?
C3_7 C1_7 C4_7 F8_7 -79.6(18) . . . . ?
O1_4 Al2 O1_8 C1_8 1(2) . . . . ?
O1_3 Al2 O1_8 C1_8 130(2) . . . . ?
O1_7 Al2 O1_8 C1_8 -115(2) . . . . ?
Al2 O1_8 C1_8 C4_8 82(2) . . . . ?
Al2 O1_8 C1_8 C3_8 -42(3) . . . . ?
Al2 O1_8 C1_8 C2_8 -161.6(19) . . . . ?
O1_8 C1_8 C2_8 F1_8 -46.5(15) . . . . ?
C4_8 C1_8 C2_8 F1_8 69.8(14) . . . . ?
C3_8 C1_8 C2_8 F1_8 -167.6(12) . . . . ?
O1_8 C1_8 C2_8 F3_8 78.3(15) . . . . ?
C4_8 C1_8 C2_8 F3_8 -165.5(13) . . . . ?
C3_8 C1_8 C2_8 F3_8 -42.8(15) . . . . ?
O1_8 C1_8 C2_8 F2_8 -161.4(11) . . . . ?
C4_8 C1_8 C2_8 F2_8 -45.2(14) . . . . ?
C3_8 C1_8 C2_8 F2_8 77.5(13) . . . . ?
O1_8 C1_8 C3_8 F5_8 -34.0(16) . . . . ?
C4_8 C1_8 C3_8 F5_8 -154.8(12) . . . . ?
C2_8 C1_8 C3_8 F5_8 86.0(13) . . . . ?
O1_8 C1_8 C3_8 F6_8 -163.3(13) . . . . ?
C4_8 C1_8 C3_8 F6_8 75.9(15) . . . . ?
C2_8 C1_8 C3_8 F6_8 -43.4(16) . . . . ?
O1_8 C1_8 C3_8 F4_8 79.5(12) . . . . ?
C4_8 C1_8 C3_8 F4_8 -41.2(12) . . . . ?
C2_8 C1_8 C3_8 F4_8 -160.5(10) . . . . ?
O1_8 C1_8 C4_8 F9_8 78.9(13) . . . . ?
C3_8 C1_8 C4_8 F9_8 -158.3(11) . . . . ?
C2_8 C1_8 C4_8 F9_8 -38.4(14) . . . . ?
O1_8 C1_8 C4_8 F8_8 -159.6(13) . . . . ?
C3_8 C1_8 C4_8 F8_8 -36.8(16) . . . . ?
C2_8 C1_8 C4_8 F8_8 83.1(15) . . . . ?
O1_8 C1_8 C4_8 F7_8 -44.5(15) . . . . ?
C3_8 C1_8 C4_8 F7_8 78.4(14) . . . . ?
C2_8 C1_8 C4_8 F7_8 -161.8(12) . . . . ?
C13_9 P1_9 C1_9 C6_9 174.9(10) . . . . ?
C7_9 P1_9 C1_9 C6_9 -75.0(12) . . . . ?
Ga2 P1_9 C1_9 C6_9 61.2(11) . . . . ?
C13_9 P1_9 C1_9 C2_9 48.1(12) . . . . ?
C7_9 P1_9 C1_9 C2_9 158.2(10) . . . . ?
Ga2 P1_9 C1_9 C2_9 -65.6(10) . . . . ?
C6_9 C1_9 C2_9 C3_9 54.3(16) . . . . ?
P1_9 C1_9 C2_9 C3_9 -176.2(10) . . . . ?
C1_9 C2_9 C3_9 C4_9 -55.5(16) . . . . ?
C2_9 C3_9 C4_9 C5_9 1(2) . . . . ?
C3_9 C4_9 C5_9 C6_9 54(2) . . . . ?
C4_9 C5_9 C6_9 C1_9 -55(2) . . . . ?
C2_9 C1_9 C6_9 C5_9 0.5(19) . . . . ?
P1_9 C1_9 C6_9 C5_9 -127.9(14) . . . . ?
C1_9 P1_9 C7_9 C12_9 82.1(13) . . . . ?
C13_9 P1_9 C7_9 C12_9 -164.4(13) . . . . ?
Ga2 P1_9 C7_9 C12_9 -51.3(13) . . . . ?
C1_9 P1_9 C7_9 C8_9 -43.7(13) . . . . ?
C13_9 P1_9 C7_9 C8_9 69.8(13) . . . . ?
Ga2 P1_9 C7_9 C8_9 -177.1(9) . . . . ?
C12_9 C7_9 C8_9 C9_9 58.6(19) . . . . ?
P1_9 C7_9 C8_9 C9_9 -174.4(14) . . . . ?
C7_9 C8_9 C9_9 C10_9 -58(2) . . . . ?
C8_9 C9_9 C10_9 C11_9 57(2) . . . . ?
C9_9 C10_9 C11_9 C12_9 -57(2) . . . . ?
C8_9 C7_9 C12_9 C11_9 -57.0(18) . . . . ?
P1_9 C7_9 C12_9 C11_9 174.4(13) . . . . ?
C10_9 C11_9 C12_9 C7_9 57(2) . . . . ?
C1_9 P1_9 C13_9 C14_9 -92.0(13) . . . . ?
C7_9 P1_9 C13_9 C14_9 152.8(12) . . . . ?
Ga2 P1_9 C13_9 C14_9 28.5(13) . . . . ?
P1_9 C13_9 C14_9 P2_9 -52.6(15) . . . . ?
C21_9 P2_9 C14_9 C13_9 -69.0(13) . . . . ?
C15_9 P2_9 C14_9 C13_9 172.1(11) . . . . ?
Ga2 P2_9 C14_9 C13_9 47.4(12) . . . . ?
C21_9 P2_9 C15_9 C16_9 171.0(10) . . . . ?
C14_9 P2_9 C15_9 C16_9 -72.2(12) . . . . ?
Ga2 P2_9 C15_9 C16_9 42.9(11) . . . . ?
C21_9 P2_9 C15_9 C20_9 -65.1(13) . . . . ?
C14_9 P2_9 C15_9 C20_9 51.7(14) . . . . ?
Ga2 P2_9 C15_9 C20_9 166.7(11) . . . . ?
C20_9 C15_9 C16_9 C17_9 53.9(17) . . . . ?
P2_9 C15_9 C16_9 C17_9 179.4(12) . . . . ?
C15_9 C16_9 C17_9 C18_9 -55(2) . . . . ?
C16_9 C17_9 C18_9 C19_9 55(2) . . . . ?
C17_9 C18_9 C19_9 C20_9 -55.7(18) . . . . ?
C18_9 C19_9 C20_9 C15_9 56.8(19) . . . . ?
C16_9 C15_9 C20_9 C19_9 -55.8(18) . . . . ?
P2_9 C15_9 C20_9 C19_9 179.5(12) . . . . ?
C14_9 P2_9 C21_9 C26_9 -34.5(13) . . . . ?
C15_9 P2_9 C21_9 C26_9 83.1(12) . . . . ?
Ga2 P2_9 C21_9 C26_9 -145.1(10) . . . . ?
C14_9 P2_9 C21_9 C22_9 -164.0(10) . . . . ?
C15_9 P2_9 C21_9 C22_9 -46.4(12) . . . . ?
Ga2 P2_9 C21_9 C22_9 85.4(10) . . . . ?
C26_9 C21_9 C22_9 C23_9 54.5(16) . . . . ?
P2_9 C21_9 C22_9 C23_9 -172.6(10) . . . . ?
C21_9 C22_9 C23_9 C24_9 -55.8(18) . . . . ?
C22_9 C23_9 C24_9 C25_9 57(2) . . . . ?
C23_9 C24_9 C25_9 C26_9 -56(2) . . . . ?
C22_9 C21_9 C26_9 C25_9 -55.4(17) . . . . ?
P2_9 C21_9 C26_9 C25_9 174.7(11) . . . . ?
C24_9 C25_9 C26_9 C21_9 56(2) . . . . ?
C7_10 P1_10 C1_10 C2_10 -165.2(12) . . . . ?
C13_10 P1_10 C1_10 C2_10 -52.0(13) . . . . ?
Ga1 P1_10 C1_10 C2_10 63.5(12) . . . . ?
C7_10 P1_10 C1_10 C6_10 67.7(12) . . . . ?
C13_10 P1_10 C1_10 C6_10 -179.1(11) . . . . ?
Ga1 P1_10 C1_10 C6_10 -63.7(11) . . . . ?
C6_10 C1_10 C2_10 C3_10 -52.5(18) . . . . ?
P1_10 C1_10 C2_10 C3_10 -179.6(11) . . . . ?
C1_10 C2_10 C3_10 C4_10 54.4(19) . . . . ?
C2_10 C3_10 C4_10 C5_10 -57(2) . . . . ?
C3_10 C4_10 C5_10 C6_10 58(2) . . . . ?
C2_10 C1_10 C6_10 C5_10 53.0(18) . . . . ?
P1_10 C1_10 C6_10 C5_10 -178.6(12) . . . . ?
C4_10 C5_10 C6_10 C1_10 -56(2) . . . . ?
C13_10 P1_10 C7_10 C8_10 -59.5(14) . . . . ?
C1_10 P1_10 C7_10 C8_10 52.5(15) . . . . ?
Ga1 P1_10 C7_10 C8_10 -175.4(11) . . . . ?
C13_10 P1_10 C7_10 C12_10 68.0(14) . . . . ?
C1_10 P1_10 C7_10 C12_10 -180.0(12) . . . . ?
Ga1 P1_10 C7_10 C12_10 -47.9(14) . . . . ?
C12_10 C7_10 C8_10 C9_10 52(2) . . . . ?
P1_10 C7_10 C8_10 C9_10 178.8(14) . . . . ?
C7_10 C8_10 C9_10 C10_10 -49(2) . . . . ?
C8_10 C9_10 C10_10 C11_10 51(3) . . . . ?
C9_10 C10_10 C11_10 C12_10 -55(3) . . . . ?
C10_10 C11_10 C12_10 C7_10 57(2) . . . . ?
C8_10 C7_10 C12_10 C11_10 -56(2) . . . . ?
P1_10 C7_10 C12_10 C11_10 176.2(13) . . . . ?
C7_10 P1_10 C13_10 C14_10 -152.0(10) . . . . ?
C1_10 P1_10 C13_10 C14_10 93.1(11) . . . . ?
Ga1 P1_10 C13_10 C14_10 -29.8(12) . . . . ?
P1_10 C13_10 C14_10 P2_10 56.0(14) . . . . ?
C21_10 P2_10 C14_10 C13_10 62.2(13) . . . . ?
C15_10 P2_10 C14_10 C13_10 -178.0(11) . . . . ?
Ga1 P2_10 C14_10 C13_10 -52.0(12) . . . . ?
C14_10 P2_10 C15_10 C16_10 74.9(12) . . . . ?
C21_10 P2_10 C15_10 C16_10 -167.2(10) . . . . ?
Ga1 P2_10 C15_10 C16_10 -40.1(12) . . . . ?
C14_10 P2_10 C15_10 C20_10 -51.1(15) . . . . ?
C21_10 P2_10 C15_10 C20_10 66.8(14) . . . . ?
Ga1 P2_10 C15_10 C20_10 -166.1(12) . . . . ?
C20_10 C15_10 C16_10 C17_10 -53.0(18) . . . . ?
P2_10 C15_10 C16_10 C17_10 179.7(11) . . . . ?
C15_10 C16_10 C17_10 C18_10 55.1(18) . . . . ?
C16_10 C17_10 C18_10 C19_10 -56.6(18) . . . . ?
C17_10 C18_10 C19_10 C20_10 57.1(19) . . . . ?
C18_10 C19_10 C20_10 C15_10 -56(2) . . . . ?
C16_10 C15_10 C20_10 C19_10 53(2) . . . . ?
P2_10 C15_10 C20_10 C19_10 179.2(13) . . . . ?
C14_10 P2_10 C21_10 C26_10 34.5(13) . . . . ?
C15_10 P2_10 C21_10 C26_10 -83.3(13) . . . . ?
Ga1 P2_10 C21_10 C26_10 144.1(11) . . . . ?
C14_10 P2_10 C21_10 C22_10 162.9(11) . . . . ?
C15_10 P2_10 C21_10 C22_10 45.1(13) . . . . ?
Ga1 P2_10 C21_10 C22_10 -87.5(11) . . . . ?
C26_10 C21_10 C22_10 C23_10 -56.0(18) . . . . ?
P2_10 C21_10 C22_10 C23_10 173.0(12) . . . . ?
C21_10 C22_10 C23_10 C24_10 57(2) . . . . ?
C22_10 C23_10 C24_10 C25_10 -58(2) . . . . ?
C23_10 C24_10 C25_10 C26_10 59(2) . . . . ?
C22_10 C21_10 C26_10 C25_10 57.3(18) . . . . ?
P2_10 C21_10 C26_10 C25_10 -173.7(12) . . . . ?
C24_10 C25_10 C26_10 C21_10 -59(2) . . . . ?
C13_11 P1_11 C1_11 C6_11 165.3(13) . . . . ?
C7_11 P1_11 C1_11 C6_11 47.1(15) . . . . ?
Ga3 P1_11 C1_11 C6_11 -83.9(13) . . . . ?
C13_11 P1_11 C1_11 C2_11 38.4(16) . . . . ?
C7_11 P1_11 C1_11 C2_11 -79.8(15) . . . . ?
Ga3 P1_11 C1_11 C2_11 149.2(12) . . . . ?
C6_11 C1_11 C2_11 C3_11 58.2(19) . . . . ?
P1_11 C1_11 C2_11 C3_11 -173.6(13) . . . . ?
C1_11 C2_11 C3_11 C4_11 -58(2) . . . . ?
C2_11 C3_11 C4_11 C5_11 56(3) . . . . ?
C3_11 C4_11 C5_11 C6_11 -55(3) . . . . ?
C4_11 C5_11 C6_11 C1_11 58(2) . . . . ?
C2_11 C1_11 C6_11 C5_11 -60(2) . . . . ?
P1_11 C1_11 C6_11 C5_11 169.3(15) . . . . ?
C13_11 P1_11 C7_11 C12_11 70.8(14) . . . . ?
C1_11 P1_11 C7_11 C12_11 -171.4(12) . . . . ?
Ga3 P1_11 C7_11 C12_11 -47.1(14) . . . . ?
C13_11 P1_11 C7_11 C8_11 -54.7(16) . . . . ?
C1_11 P1_11 C7_11 C8_11 63.1(15) . . . . ?
Ga3 P1_11 C7_11 C8_11 -172.6(12) . . . . ?
C12_11 C7_11 C8_11 C9_11 54(2) . . . . ?
P1_11 C7_11 C8_11 C9_11 179.2(14) . . . . ?
C7_11 C8_11 C9_11 C10_11 -54(2) . . . . ?
C8_11 C9_11 C10_11 C11_11 56(2) . . . . ?
C9_11 C10_11 C11_11 C12_11 -56(2) . . . . ?
C8_11 C7_11 C12_11 C11_11 -55(2) . . . . ?
P1_11 C7_11 C12_11 C11_11 177.3(13) . . . . ?
C10_11 C11_11 C12_11 C7_11 57(2) . . . . ?
C1_11 P1_11 C13_11 C14_11 70.7(15) . . . . ?
C7_11 P1_11 C13_11 C14_11 -168.5(13) . . . . ?
Ga3 P1_11 C13_11 C14_11 -41.5(15) . . . . ?
P1_11 C13_11 C14_11 P2_11 55.0(17) . . . . ?
C21_11 P2_11 C14_11 C13_11 85.7(14) . . . . ?
C15_11 P2_11 C14_11 C13_11 -159.8(12) . . . . ?
Ga3 P2_11 C14_11 C13_11 -39.3(14) . . . . ?
C21_11 P2_11 C15_11 C16_11 -179.4(15) . . . . ?
C14_11 P2_11 C15_11 C16_11 66.2(17) . . . . ?
Ga3 P2_11 C15_11 C16_11 -49.3(16) . . . . ?
C21_11 P2_11 C15_11 C20_11 50.2(18) . . . . ?
C14_11 P2_11 C15_11 C20_11 -64.2(18) . . . . ?
Ga3 P2_11 C15_11 C20_11 -179.6(15) . . . . ?
C20_11 C15_11 C16_11 C17_11 -51(3) . . . . ?
P2_11 C15_11 C16_11 C17_11 179.8(17) . . . . ?
C15_11 C16_11 C17_11 C18_11 49(3) . . . . ?
C16_11 C17_11 C18_11 C19_11 -54(3) . . . . ?
C17_11 C18_11 C19_11 C20_11 58(2) . . . . ?
C16_11 C15_11 C20_11 C19_11 53(3) . . . . ?
P2_11 C15_11 C20_11 C19_11 -178.5(15) . . . . ?
C18_11 C19_11 C20_11 C15_11 -56(2) . . . . ?
C14_11 P2_11 C21_11 C26_11 -55.2(17) . . . . ?
C15_11 P2_11 C21_11 C26_11 -170.3(15) . . . . ?
Ga3 P2_11 C21_11 C26_11 62.1(16) . . . . ?
C14_11 P2_11 C21_11 C22_11 177.9(14) . . . . ?
C15_11 P2_11 C21_11 C22_11 62.9(16) . . . . ?
Ga3 P2_11 C21_11 C22_11 -64.8(15) . . . . ?
C26_11 C21_11 C22_11 C23_11 50(2) . . . . ?
P2_11 C21_11 C22_11 C23_11 -178.8(17) . . . . ?
C21_11 C22_11 C23_11 C24_11 3(3) . . . . ?
C22_11 C23_11 C24_11 C25_11 -46(4) . . . . ?
C23_11 C24_11 C25_11 C26_11 35(4) . . . . ?
C22_11 C21_11 C26_11 C25_11 -62(2) . . . . ?
P2_11 C21_11 C26_11 C25_11 170.1(17) . . . . ?
C24_11 C25_11 C26_11 C21_11 19(3) . . . . ?
C7_12 P1_12 C1_12 C2_12 81.7(17) . . . . ?
C13_12 P1_12 C1_12 C2_12 -34.4(18) . . . . ?
Ga4 P1_12 C1_12 C2_12 -144.2(16) . . . . ?
C7_12 P1_12 C1_12 C6_12 -49.6(16) . . . . ?
C13_12 P1_12 C1_12 C6_12 -165.7(13) . . . . ?
Ga4 P1_12 C1_12 C6_12 84.5(14) . . . . ?
C6_12 C1_12 C2_12 C3_12 -55(2) . . . . ?
P1_12 C1_12 C2_12 C3_12 174.0(16) . . . . ?
C1_12 C2_12 C3_12 C4_12 54(3) . . . . ?
C2_12 C3_12 C4_12 C5_12 -55(3) . . . . ?
C3_12 C4_12 C5_12 C6_12 59(2) . . . . ?
C4_12 C5_12 C6_12 C1_12 -59(2) . . . . ?
C2_12 C1_12 C6_12 C5_12 56(2) . . . . ?
P1_12 C1_12 C6_12 C5_12 -169.1(14) . . . . ?
C1_12 P1_12 C7_12 C12_12 169.9(12) . . . . ?
C13_12 P1_12 C7_12 C12_12 -74.5(14) . . . . ?
Ga4 P1_12 C7_12 C12_12 41.8(14) . . . . ?
C1_12 P1_12 C7_12 C8_12 -63.3(17) . . . . ?
C13_12 P1_12 C7_12 C8_12 52.3(17) . . . . ?
Ga4 P1_12 C7_12 C8_12 168.6(13) . . . . ?
C12_12 C7_12 C8_12 C9_12 -54(2) . . . . ?
P1_12 C7_12 C8_12 C9_12 -179.7(15) . . . . ?
C7_12 C8_12 C9_12 C10_12 55(3) . . . . ?
C8_12 C9_12 C10_12 C11_12 -57(2) . . . . ?
C9_12 C10_12 C11_12 C12_12 56(2) . . . . ?
C8_12 C7_12 C12_12 C11_12 53(2) . . . . ?
P1_12 C7_12 C12_12 C11_12 -179.1(14) . . . . ?
C10_12 C11_12 C12_12 C7_12 -54(2) . . . . ?
C7_12 P1_12 C13_12 C14_12 166.5(13) . . . . ?
C1_12 P1_12 C13_12 C14_12 -73.5(16) . . . . ?
Ga4 P1_12 C13_12 C14_12 39.6(15) . . . . ?
P1_12 C13_12 C14_12 P2_12 -56.7(18) . . . . ?
C15_12 P2_12 C14_12 C13_12 175.4(15) . . . . ?
C21_12 P2_12 C14_12 C13_12 -71.5(15) . . . . ?
Ga4 P2_12 C14_12 C13_12 42.7(14) . . . . ?
C14_12 P2_12 C15_12 C20_12 0(3) . . . . ?
C21_12 P2_12 C15_12 C20_12 -112(2) . . . . ?
Ga4 P2_12 C15_12 C20_12 120(2) . . . . ?
C14_12 P2_12 C15_12 C16_12 -147.0(18) . . . . ?
C21_12 P2_12 C15_12 C16_12 101(2) . . . . ?
Ga4 P2_12 C15_12 C16_12 -27(2) . . . . ?
C20_12 C15_12 C16_12 C17_12 2(4) . . . . ?
P2_12 C15_12 C16_12 C17_12 149(2) . . . . ?
C15_12 C16_12 C17_12 C18_12 26(4) . . . . ?
C16_12 C17_12 C18_12 C19_12 -27(5) . . . . ?
C17_12 C18_12 C19_12 C20_12 -2(5) . . . . ?
C16_12 C15_12 C20_12 C19_12 -31(4) . . . . ?
P2_12 C15_12 C20_12 C19_12 -176(2) . . . . ?
C18_12 C19_12 C20_12 C15_12 31(5) . . . . ?
C14_12 P2_12 C21_12 C26_12 -41.0(15) . . . . ?
C15_12 P2_12 C21_12 C26_12 72.0(15) . . . . ?
Ga4 P2_12 C21_12 C26_12 -151.5(12) . . . . ?
C14_12 P2_12 C21_12 C22_12 -169.0(12) . . . . ?
C15_12 P2_12 C21_12 C22_12 -56.0(14) . . . . ?
Ga4 P2_12 C21_12 C22_12 80.5(12) . . . . ?
C26_12 C21_12 C22_12 C23_12 51.9(19) . . . . ?
P2_12 C21_12 C22_12 C23_12 -178.0(12) . . . . ?
C21_12 C22_12 C23_12 C24_12 -60(2) . . . . ?
C22_12 C23_12 C24_12 C25_12 64.3(19) . . . . ?
C23_12 C24_12 C25_12 C26_12 -63.1(18) . . . . ?
C22_12 C21_12 C26_12 C25_12 -53(2) . . . . ?
P2_12 C21_12 C26_12 C25_12 -179.7(13) . . . . ?
C24_12 C25_12 C26_12 C21_12 59(2) . . . . ?
O1_16 Al2 O1_13 C1_13 -86(3) . . . . ?
O1_15 Al2 O1_13 C1_13 162(2) . . . . ?
Al2 O1_13 C1_13 C3_13 -57(3) . . . . ?
Al2 O1_13 C1_13 C4_13 65(3) . . . . ?
Al2 O1_13 C1_13 C2_13 -179.3(19) . . . . ?
O1_13 C1_13 C2_13 F1_13 -37(3) . . . . ?
C3_13 C1_13 C2_13 F1_13 -160(2) . . . . ?
C4_13 C1_13 C2_13 F1_13 82(2) . . . . ?
O1_13 C1_13 C2_13 F3_13 81(2) . . . . ?
C3_13 C1_13 C2_13 F3_13 -43(2) . . . . ?
C4_13 C1_13 C2_13 F3_13 -160(2) . . . . ?
O1_13 C1_13 C2_13 F2_13 -156(2) . . . . ?
C3_13 C1_13 C2_13 F2_13 80(2) . . . . ?
C4_13 C1_13 C2_13 F2_13 -37(2) . . . . ?
O1_13 C1_13 C3_13 F6_13 -162(2) . . . . ?
C4_13 C1_13 C3_13 F6_13 75(2) . . . . ?
C2_13 C1_13 C3_13 F6_13 -41(3) . . . . ?
O1_13 C1_13 C3_13 F5_13 -42(2) . . . . ?
C4_13 C1_13 C3_13 F5_13 -164.4(18) . . . . ?
C2_13 C1_13 C3_13 F5_13 80(2) . . . . ?
O1_13 C1_13 C3_13 F4_13 76(2) . . . . ?
C4_13 C1_13 C3_13 F4_13 -47(2) . . . . ?
C2_13 C1_13 C3_13 F4_13 -162.8(19) . . . . ?
O1_13 C1_13 C4_13 F9_13 73(2) . . . . ?
C3_13 C1_13 C4_13 F9_13 -162.9(18) . . . . ?
C2_13 C1_13 C4_13 F9_13 -44(2) . . . . ?
O1_13 C1_13 C4_13 F8_13 -163(2) . . . . ?
C3_13 C1_13 C4_13 F8_13 -39(2) . . . . ?
C2_13 C1_13 C4_13 F8_13 80(2) . . . . ?
O1_13 C1_13 C4_13 F7_13 -49(2) . . . . ?
C3_13 C1_13 C4_13 F7_13 75(2) . . . . ?
C2_13 C1_13 C4_13 F7_13 -166.1(18) . . . . ?
O1_17 Al1 O1_14 C1_14 91(4) . . . . ?
O1_19 Al1 O1_14 C1_14 -19(4) . . . . ?
O1_18 Al1 O1_14 C1_14 -160(3) . . . . ?
Al1 O1_14 C1_14 C3_14 -64(4) . . . . ?
Al1 O1_14 C1_14 C4_14 56(4) . . . . ?
Al1 O1_14 C1_14 C2_14 176(3) . . . . ?
O1_14 C1_14 C2_14 F3_14 41(3) . . . . ?
C3_14 C1_14 C2_14 F3_14 -77(3) . . . . ?
C4_14 C1_14 C2_14 F3_14 161(2) . . . . ?
O1_14 C1_14 C2_14 F1_14 -80(3) . . . . ?
C3_14 C1_14 C2_14 F1_14 162(3) . . . . ?
C4_14 C1_14 C2_14 F1_14 40(3) . . . . ?
O1_14 C1_14 C2_14 F2_14 157(2) . . . . ?
C3_14 C1_14 C2_14 F2_14 39(3) . . . . ?
C4_14 C1_14 C2_14 F2_14 -83(2) . . . . ?
O1_14 C1_14 C3_14 F4_14 164(2) . . . . ?
C4_14 C1_14 C3_14 F4_14 43(3) . . . . ?
C2_14 C1_14 C3_14 F4_14 -77(3) . . . . ?
O1_14 C1_14 C3_14 F6_14 -80(2) . . . . ?
C4_14 C1_14 C3_14 F6_14 160(2) . . . . ?
C2_14 C1_14 C3_14 F6_14 40(2) . . . . ?
O1_14 C1_14 C3_14 F5_14 41(2) . . . . ?
C4_14 C1_14 C3_14 F5_14 -79(2) . . . . ?
C2_14 C1_14 C3_14 F5_14 161(2) . . . . ?
O1_14 C1_14 C4_14 F8_14 166(2) . . . . ?
C3_14 C1_14 C4_14 F8_14 -76(3) . . . . ?
C2_14 C1_14 C4_14 F8_14 45(3) . . . . ?
O1_14 C1_14 C4_14 F9_14 41(3) . . . . ?
C3_14 C1_14 C4_14 F9_14 160(2) . . . . ?
C2_14 C1_14 C4_14 F9_14 -79(2) . . . . ?
O1_14 C1_14 C4_14 F7_14 -77(2) . . . . ?
C3_14 C1_14 C4_14 F7_14 42(2) . . . . ?
C2_14 C1_14 C4_14 F7_14 162(2) . . . . ?
O1_16 Al2 O1_15 C1_15 -170(3) . . . . ?
O1_13 Al2 O1_15 C1_15 -53(3) . . . . ?
Al2 O1_15 C1_15 C2_15 66(3) . . . . ?
Al2 O1_15 C1_15 C4_15 -59(3) . . . . ?
Al2 O1_15 C1_15 C3_15 -174(2) . . . . ?
O1_15 C1_15 C2_15 F2_15 156(2) . . . . ?
C4_15 C1_15 C2_15 F2_15 -82(2) . . . . ?
C3_15 C1_15 C2_15 F2_15 38(2) . . . . ?
O1_15 C1_15 C2_15 F3_15 39(2) . . . . ?
C4_15 C1_15 C2_15 F3_15 160.9(19) . . . . ?
C3_15 C1_15 C2_15 F3_15 -79(2) . . . . ?
O1_15 C1_15 C2_15 F1_15 -79(2) . . . . ?
C4_15 C1_15 C2_15 F1_15 43(2) . . . . ?
C3_15 C1_15 C2_15 F1_15 163.0(19) . . . . ?
O1_15 C1_15 C3_15 F4_15 42(2) . . . . ?
C2_15 C1_15 C3_15 F4_15 160.5(17) . . . . ?
C4_15 C1_15 C3_15 F4_15 -74(2) . . . . ?
O1_15 C1_15 C3_15 F6_15 164.6(19) . . . . ?
C2_15 C1_15 C3_15 F6_15 -77(2) . . . . ?
C4_15 C1_15 C3_15 F6_15 48(2) . . . . ?
O1_15 C1_15 C3_15 F5_15 -78(2) . . . . ?
C2_15 C1_15 C3_15 F5_15 41(2) . . . . ?
C4_15 C1_15 C3_15 F5_15 166.0(17) . . . . ?
O1_15 C1_15 C4_15 F8_15 173(2) . . . . ?
C2_15 C1_15 C4_15 F8_15 51(2) . . . . ?
C3_15 C1_15 C4_15 F8_15 -71(2) . . . . ?
O1_15 C1_15 C4_15 F7_15 -69(2) . . . . ?
C2_15 C1_15 C4_15 F7_15 169(2) . . . . ?
C3_15 C1_15 C4_15 F7_15 47(2) . . . . ?
O1_15 C1_15 C4_15 F9_15 55(2) . . . . ?
C2_15 C1_15 C4_15 F9_15 -67(2) . . . . ?
C3_15 C1_15 C4_15 F9_15 170.6(19) . . . . ?
O1_13 Al2 O1_16 C1_16 -83(4) . . . . ?
O1_15 Al2 O1_16 C1_16 31(4) . . . . ?
Al2 O1_16 C1_16 C2_16 65(4) . . . . ?
Al2 O1_16 C1_16 C4_16 -175(4) . . . . ?
Al2 O1_16 C1_16 C3_16 -57(4) . . . . ?
O1_16 C1_16 C2_16 F2_16 -162(2) . . . . ?
C4_16 C1_16 C2_16 F2_16 79(2) . . . . ?
C3_16 C1_16 C2_16 F2_16 -39(2) . . . . ?
O1_16 C1_16 C2_16 F3_16 -44(3) . . . . ?
C4_16 C1_16 C2_16 F3_16 -163(2) . . . . ?
C3_16 C1_16 C2_16 F3_16 80(2) . . . . ?
O1_16 C1_16 C2_16 F1_16 71(2) . . . . ?
C4_16 C1_16 C2_16 F1_16 -48(2) . . . . ?
C3_16 C1_16 C2_16 F1_16 -165.0(19) . . . . ?
O1_16 C1_16 C3_16 F4_16 -39(2) . . . . ?
C2_16 C1_16 C3_16 F4_16 -162.1(18) . . . . ?
C4_16 C1_16 C3_16 F4_16 80(2) . . . . ?
O1_16 C1_16 C3_16 F5_16 82(2) . . . . ?
C2_16 C1_16 C3_16 F5_16 -42(2) . . . . ?
C4_16 C1_16 C3_16 F5_16 -160.3(17) . . . . ?
O1_16 C1_16 C3_16 F6_16 -158(2) . . . . ?
C2_16 C1_16 C3_16 F6_16 78(2) . . . . ?
C4_16 C1_16 C3_16 F6_16 -40(2) . . . . ?
O1_16 C1_16 C4_16 F7_16 77(2) . . . . ?
C2_16 C1_16 C4_16 F7_16 -162(2) . . . . ?
C3_16 C1_16 C4_16 F7_16 -44(2) . . . . ?
O1_16 C1_16 C4_16 F9_16 -44(2) . . . . ?
C2_16 C1_16 C4_16 F9_16 77(2) . . . . ?
C3_16 C1_16 C4_16 F9_16 -165(2) . . . . ?
O1_16 C1_16 C4_16 F8_16 -165(2) . . . . ?
C2_16 C1_16 C4_16 F8_16 -44(2) . . . . ?
C3_16 C1_16 C4_16 F8_16 74(2) . . . . ?
O1_19 Al1 O1_17 C1_17 -158(6) . . . . ?
O1_14 Al1 O1_17 C1_17 80(6) . . . . ?
O1_18 Al1 O1_17 C1_17 -27(6) . . . . ?
Al1 O1_17 C1_17 C2_17 -62(6) . . . . ?
Al1 O1_17 C1_17 C4_17 178(5) . . . . ?
Al1 O1_17 C1_17 C3_17 57(6) . . . . ?
O1_17 C1_17 C2_17 F2_17 156(3) . . . . ?
C4_17 C1_17 C2_17 F2_17 -86(3) . . . . ?
C3_17 C1_17 C2_17 F2_17 36(3) . . . . ?
O1_17 C1_17 C2_17 F1_17 -78(3) . . . . ?
C4_17 C1_17 C2_17 F1_17 41(3) . . . . ?
C3_17 C1_17 C2_17 F1_17 163(2) . . . . ?
O1_17 C1_17 C2_17 F3_17 36(3) . . . . ?
C4_17 C1_17 C2_17 F3_17 155(2) . . . . ?
C3_17 C1_17 C2_17 F3_17 -83(3) . . . . ?
O1_17 C1_17 C3_17 F6_17 161(3) . . . . ?
C2_17 C1_17 C3_17 F6_17 -76(2) . . . . ?
C4_17 C1_17 C3_17 F6_17 44(3) . . . . ?
O1_17 C1_17 C3_17 F4_17 40(3) . . . . ?
C2_17 C1_17 C3_17 F4_17 162(2) . . . . ?
C4_17 C1_17 C3_17 F4_17 -78(2) . . . . ?
O1_17 C1_17 C3_17 F5_17 -85(3) . . . . ?
C2_17 C1_17 C3_17 F5_17 37(2) . . . . ?
C4_17 C1_17 C3_17 F5_17 157(2) . . . . ?
O1_17 C1_17 C4_17 F8_17 165(2) . . . . ?
C2_17 C1_17 C4_17 F8_17 43(3) . . . . ?
C3_17 C1_17 C4_17 F8_17 -77(2) . . . . ?
O1_17 C1_17 C4_17 F7_17 -77(3) . . . . ?
C2_17 C1_17 C4_17 F7_17 160(2) . . . . ?
C3_17 C1_17 C4_17 F7_17 41(3) . . . . ?
O1_17 C1_17 C4_17 F9_17 43(3) . . . . ?
C2_17 C1_17 C4_17 F9_17 -80(2) . . . . ?
C3_17 C1_17 C4_17 F9_17 161(2) . . . . ?
O1_17 Al1 O1_18 C1_18 162(4) . . . . ?
O1_19 Al1 O1_18 C1_18 -86(5) . . . . ?
O1_14 Al1 O1_18 C1_18 49(5) . . . . ?
Al1 O1_18 C1_18 C4_18 44(5) . . . . ?
Al1 O1_18 C1_18 C3_18 171(4) . . . . ?
Al1 O1_18 C1_18 C2_18 -74(5) . . . . ?
O1_18 C1_18 C2_18 F3_18 -29(3) . . . . ?
C4_18 C1_18 C2_18 F3_18 -152(3) . . . . ?
C3_18 C1_18 C2_18 F3_18 85(3) . . . . ?
O1_18 C1_18 C2_18 F2_18 -155(3) . . . . ?
C4_18 C1_18 C2_18 F2_18 82(3) . . . . ?
C3_18 C1_18 C2_18 F2_18 -42(3) . . . . ?
O1_18 C1_18 C2_18 F1_18 83(3) . . . . ?
C4_18 C1_18 C2_18 F1_18 -40(3) . . . . ?
C3_18 C1_18 C2_18 F1_18 -163(2) . . . . ?
O1_18 C1_18 C3_18 F6_18 -162(3) . . . . ?
C4_18 C1_18 C3_18 F6_18 -36(3) . . . . ?
C2_18 C1_18 C3_18 F6_18 80(3) . . . . ?
O1_18 C1_18 C3_18 F4_18 -40(3) . . . . ?
C4_18 C1_18 C3_18 F4_18 86(3) . . . . ?
C2_18 C1_18 C3_18 F4_18 -158(2) . . . . ?
O1_18 C1_18 C3_18 F5_18 77(3) . . . . ?
C4_18 C1_18 C3_18 F5_18 -157(2) . . . . ?
C2_18 C1_18 C3_18 F5_18 -41(3) . . . . ?
O1_18 C1_18 C4_18 F7_18 70(3) . . . . ?
C3_18 C1_18 C4_18 F7_18 -51(3) . . . . ?
C2_18 C1_18 C4_18 F7_18 -168(3) . . . . ?
O1_18 C1_18 C4_18 F8_18 -165(3) . . . . ?
C3_18 C1_18 C4_18 F8_18 74(3) . . . . ?
C2_18 C1_18 C4_18 F8_18 -43(3) . . . . ?
O1_18 C1_18 C4_18 F9_18 -48(4) . . . . ?
C3_18 C1_18 C4_18 F9_18 -170(3) . . . . ?
C2_18 C1_18 C4_18 F9_18 73(3) . . . . ?
O1_17 Al1 O1_19 C1_19 60(9) . . . . ?
O1_14 Al1 O1_19 C1_19 177(8) . . . . ?
O1_18 Al1 O1_19 C1_19 -54(9) . . . . ?
Al1 O1_19 C1_19 C2_19 24(9) . . . . ?
Al1 O1_19 C1_19 C3_19 151(8) . . . . ?
Al1 O1_19 C1_19 C4_19 -92(8) . . . . ?
O1_19 C1_19 C2_19 F3_19 79(4) . . . . ?
C3_19 C1_19 C2_19 F3_19 -46(4) . . . . ?
C4_19 C1_19 C2_19 F3_19 -163(3) . . . . ?
O1_19 C1_19 C2_19 F1_19 -42(4) . . . . ?
C3_19 C1_19 C2_19 F1_19 -167(4) . . . . ?
C4_19 C1_19 C2_19 F1_19 76(4) . . . . ?
O1_19 C1_19 C2_19 F2_19 -160(4) . . . . ?
C3_19 C1_19 C2_19 F2_19 74(4) . . . . ?
C4_19 C1_19 C2_19 F2_19 -43(4) . . . . ?
O1_19 C1_19 C3_19 F5_19 -39(4) . . . . ?
C2_19 C1_19 C3_19 F5_19 89(4) . . . . ?
C4_19 C1_19 C3_19 F5_19 -156(3) . . . . ?
O1_19 C1_19 C3_19 F6_19 -159(4) . . . . ?
C2_19 C1_19 C3_19 F6_19 -31(4) . . . . ?
C4_19 C1_19 C3_19 F6_19 85(4) . . . . ?
O1_19 C1_19 C3_19 F4_19 82(4) . . . . ?
C2_19 C1_19 C3_19 F4_19 -150(3) . . . . ?
C4_19 C1_19 C3_19 F4_19 -35(4) . . . . ?
O1_19 C1_19 C4_19 F9_19 70(4) . . . . ?
C2_19 C1_19 C4_19 F9_19 -52(3) . . . . ?
C3_19 C1_19 C4_19 F9_19 -173(3) . . . . ?
O1_19 C1_19 C4_19 F7_19 -59(4) . . . . ?
C2_19 C1_19 C4_19 F7_19 179(3) . . . . ?
C3_19 C1_19 C4_19 F7_19 59(3) . . . . ?
O1_19 C1_19 C4_19 F8_19 -173(4) . . . . ?
C2_19 C1_19 C4_19 F8_19 65(3) . . . . ?
C3_19 C1_19 C4_19 F8_19 -55(3) . . . . ?

_vrf_PLAT090_P2_a                
;PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........       4.45 Note  
RESPONSE: The poor data/parameter ratio is due to the non-centrosymmetric space 
group, deteriorating the data/parameter ratio by a factor of 2.
;
_vrf_PLAT341_P2_a                
;PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01733 Ang.  
RESPONSE: The pronounced disordering of all fragments in the cation and anion 
could indicate the presence of a superstructure (in addition to twinning), 
which, however, can hardly be recognized in reciprocal space and therefore 
cannot be accounted for. Nevertheless, the data allow to establish the identity 
of the structure, which is in accordance with NMR and IR spectroscopic results. 
Thus, only the atomic connectivities, and not the bond distances, are discussed 
for this structure.
;
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cc_a
_database_code_depnum_ccdc_archive 'CCDC 2488259'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs university Freiburg
Germany
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C90 H103 Al2 F72 Ga2 N O8 P4'
_chemical_formula_moiety         '2(C16 Al F36 O4), C58 H103 Ga2 N P4'
_chemical_formula_weight         3012.01
_chemical_melting_point          ?
_chemical_absolute_configuration ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   18.260(3)
_cell_length_b                   29.497(5)
_cell_length_c                   22.081(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.514(9)
_cell_angle_gamma                90
_cell_volume                     11816(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9893
_cell_measurement_theta_min      2.709
_cell_measurement_theta_max      28.3325
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated oDFB solution of the compounds with n-pentane.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_F_000             6040
_exptl_crystal_size_max          0.369
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            473329
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_theta_min         1.318
_diffrn_reflns_theta_max         28.378
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             29446
_reflns_number_gt                28721
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.994
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.994
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS 8.5.5.6/2024-10-24 and APEX6 2024.9-1'
_computing_cell_refinement       'SAINT V8.41'
_computing_data_reduction        'SAINT V8.41'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0530P)²+6.6187P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         29446
_refine_ls_number_parameters     2382
_refine_ls_number_restraints     33743
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0291
_refine_ls_wR_factor_ref         0.0798
_refine_ls_wR_factor_gt          0.0786
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.488
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.047(5)
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.92458(2) 0.87964(2) 0.58201(2) 0.01650(6) Uani 1 1 d . . . . .
Ga2 Ga 1.03541(2) 0.83478(2) 0.60821(2) 0.01713(6) Uani 1 1 d . . . . .
P1 P 0.85829(3) 0.85741(2) 0.48590(3) 0.01743(12) Uani 1 1 d D . . . .
P2 P 0.80889(3) 0.87118(2) 0.62339(3) 0.01789(12) Uani 1 1 d D . . . .
P3 P 1.13848(4) 0.87109(2) 0.56736(3) 0.01870(12) Uani 1 1 d D . . . .
P4 P 1.10551(4) 0.85119(2) 0.70812(3) 0.02011(12) Uani 1 1 d D . . . .
Al1 Al -0.03221(4) 0.50606(3) 0.35722(3) 0.01767(14) Uani 1 1 d . . . . .
Al2 Al 0.49936(4) 0.68991(3) 0.61171(4) 0.02021(15) Uani 1 1 d . . . . .
N1 N 1.04602(14) 0.77287(8) 0.59286(12) 0.0244(5) Uani 1 1 d D . . . .
H2 H 1.0887(18) 0.7642(15) 0.5750(19) 0.037 Uiso 1 1 d D U . . .
C4 C 1.19199(15) 0.87779(10) 0.69055(13) 0.0247(5) Uani 1 1 d . . . . .
H4A H 1.186275 0.911146 0.691835 0.030 Uiso 1 1 calc R U . . .
H4B H 1.231977 0.869281 0.722610 0.030 Uiso 1 1 calc R U . . .
C1 C 0.76149(14) 0.85518(9) 0.50153(12) 0.0209(5) Uani 1 1 d . . . . .
H1A H 0.740046 0.886013 0.497880 0.025 Uiso 1 1 calc R U . . .
H1B H 0.733148 0.835604 0.470865 0.025 Uiso 1 1 calc R U . . .
C3 C 1.21506(15) 0.86436(10) 0.62793(13) 0.0235(5) Uani 1 1 d . . . . .
H3A H 1.231717 0.832393 0.629296 0.028 Uiso 1 1 calc R U . . .
H3B H 1.256913 0.883541 0.618784 0.028 Uiso 1 1 calc R U . . .
C2 C 0.75475(15) 0.83652(9) 0.56574(12) 0.0211(5) Uani 1 1 d . . . . .
H2A H 0.772631 0.804818 0.568554 0.025 Uiso 1 1 calc R U . . .
H2B H 0.702362 0.836643 0.573371 0.025 Uiso 1 1 calc R U . . .
O1_1 O 0.54493(16) 0.67124(10) 0.68007(13) 0.0238(6) Uani 0.896(3) 1 d D U P A
1
C1_1 C 0.56612(19) 0.63575(12) 0.71639(16) 0.0248(6) Uani 0.896(3) 1 d D U P A
1
C2_1 C 0.5349(2) 0.58983(12) 0.68908(17) 0.0294(7) Uani 0.896(3) 1 d D U P A 1
F1_1 F 0.46411(13) 0.58467(8) 0.69785(11) 0.0364(5) Uani 0.896(3) 1 d D U P A 1
F2_1 F 0.57184(15) 0.55399(8) 0.71344(11) 0.0407(5) Uani 0.896(3) 1 d D U P A 1
F3_1 F 0.53863(13) 0.58898(7) 0.62932(10) 0.0327(5) Uani 0.896(3) 1 d D U P A 1
C3_1 C 0.6520(2) 0.63325(14) 0.72454(17) 0.0349(7) Uani 0.896(3) 1 d D U P A 1
F4_1 F 0.68109(15) 0.67387(10) 0.73525(15) 0.0470(6) Uani 0.896(3) 1 d D U P A
1
F5_1 F 0.67637(15) 0.61656(11) 0.67446(13) 0.0411(6) Uani 0.896(3) 1 d D U P A
1
F6_1 F 0.67759(14) 0.60600(11) 0.77100(12) 0.0484(6) Uani 0.896(3) 1 d D U P A
1
C4_1 C 0.5376(2) 0.64321(16) 0.77966(17) 0.0359(8) Uani 0.896(3) 1 d D U P A 1
F7_1 F 0.57662(16) 0.67498(10) 0.81147(11) 0.0487(7) Uani 0.896(3) 1 d D U P A
1
F8_1 F 0.54186(17) 0.60494(10) 0.81325(11) 0.0483(7) Uani 0.896(3) 1 d D U P A
1
F9_1 F 0.46727(16) 0.65621(11) 0.77255(14) 0.0395(7) Uani 0.896(3) 1 d D U P A
1
O1_2 O 0.42008(13) 0.65804(9) 0.59527(11) 0.0261(5) Uani 0.901(3) 1 d D U P A 1
C1_2 C 0.36344(18) 0.64323(11) 0.55616(16) 0.0271(6) Uani 0.901(3) 1 d D U P A
1
C2_2 C 0.3837(2) 0.59682(13) 0.52907(18) 0.0354(7) Uani 0.901(3) 1 d D U P A 1
F1_2 F 0.45031(14) 0.59894(9) 0.50989(12) 0.0412(5) Uani 0.901(3) 1 d D U P A 1
F2_2 F 0.33589(16) 0.58440(10) 0.48170(14) 0.0559(8) Uani 0.901(3) 1 d D U P A
1
F3_2 F 0.38561(14) 0.56406(8) 0.57048(14) 0.0468(6) Uani 0.901(3) 1 d D U P A 1
C3_2 C 0.2959(2) 0.63700(14) 0.5927(2) 0.0379(8) Uani 0.901(3) 1 d D U P A 1
F4_2 F 0.26396(14) 0.67693(10) 0.60195(15) 0.0505(7) Uani 0.901(3) 1 d D U P A
1
F5_2 F 0.31611(16) 0.61907(10) 0.64739(13) 0.0442(6) Uani 0.901(3) 1 d D U P A
1
F6_2 F 0.24413(14) 0.60983(10) 0.56483(15) 0.0547(7) Uani 0.901(3) 1 d D U P A
1
C4_2 C 0.3429(2) 0.67747(13) 0.50312(17) 0.0355(7) Uani 0.901(3) 1 d D U P A 1
F7_2 F 0.34399(16) 0.71960(8) 0.52387(12) 0.0453(6) Uani 0.901(3) 1 d D U P A 1
F8_2 F 0.27620(16) 0.66960(9) 0.47379(13) 0.0507(7) Uani 0.901(3) 1 d D U P A 1
F9_2 F 0.39170(16) 0.67526(10) 0.46245(12) 0.0489(6) Uani 0.901(3) 1 d D U P A
1
O1_3 O 0.48134(15) 0.74655(8) 0.61833(13) 0.0248(5) Uani 0.894(3) 1 d D U P A 1
C1_3 C 0.45890(19) 0.77978(12) 0.65370(17) 0.0291(6) Uani 0.894(3) 1 d D U P A
1
C2_3 C 0.4427(2) 0.82292(13) 0.6128(2) 0.0422(7) Uani 0.894(3) 1 d D U P A 1
F1_3 F 0.5051(2) 0.84368(9) 0.60386(18) 0.0568(8) Uani 0.894(3) 1 d D U P A 1
F2_3 F 0.4004(3) 0.85313(13) 0.6384(2) 0.0604(13) Uani 0.894(3) 1 d D U P A 1
F3_3 F 0.40819(19) 0.81148(11) 0.55865(15) 0.0500(7) Uani 0.894(3) 1 d D U P A
1
C3_3 C 0.38617(19) 0.76647(13) 0.68000(18) 0.0336(6) Uani 0.894(3) 1 d D U P A
1
F4_3 F 0.38962(13) 0.72406(9) 0.70048(12) 0.0388(5) Uani 0.894(3) 1 d D U P A 1
F5_3 F 0.32886(13) 0.76821(9) 0.63608(12) 0.0414(6) Uani 0.894(3) 1 d D U P A 1
F6_3 F 0.37044(14) 0.79342(11) 0.72502(13) 0.0469(6) Uani 0.894(3) 1 d D U P A
1
C4_3 C 0.5178(2) 0.79040(15) 0.70759(19) 0.0407(7) Uani 0.894(3) 1 d D U P A 1
F7_3 F 0.51752(15) 0.75955(11) 0.75203(12) 0.0480(6) Uani 0.894(3) 1 d D U P A
1
F8_3 F 0.50789(18) 0.83123(11) 0.73164(17) 0.0609(9) Uani 0.894(3) 1 d D U P A
1
F9_3 F 0.58480(14) 0.78998(13) 0.68861(16) 0.0520(8) Uani 0.894(3) 1 d D U P A
1
O1_4 O 0.55034(12) 0.68404(7) 0.55078(10) 0.0267(4) Uani 1 1 d D U . B 1
C1_4 C 0.60103(18) 0.70244(10) 0.51830(13) 0.0271(5) Uani 1 1 d D U . B 1
C2_4 C 0.67950(19) 0.69900(12) 0.55529(16) 0.0356(7) Uani 1 1 d D U . B 1
F1_4 F 0.67638(13) 0.71238(9) 0.61259(10) 0.0439(5) Uani 1 1 d D U . B 1
F2_4 F 0.72932(12) 0.72510(8) 0.53223(12) 0.0460(5) Uani 1 1 d D U . B 1
F3_4 F 0.70377(13) 0.65665(8) 0.55667(12) 0.0467(5) Uani 1 1 d D U . B 1
C3_4 C 0.6022(2) 0.67579(12) 0.45758(15) 0.0361(7) Uani 1 1 d D U . B 1
F4_4 F 0.54362(15) 0.68606(9) 0.41831(10) 0.0489(5) Uani 1 1 d D U . B 1
F5_4 F 0.60088(16) 0.63150(7) 0.46794(11) 0.0488(6) Uani 1 1 d D U . B 1
F6_4 F 0.66178(14) 0.68435(8) 0.43020(10) 0.0440(5) Uani 1 1 d D U . B 1
C4_4 C 0.58440(19) 0.75331(10) 0.50370(16) 0.0328(6) Uani 1 1 d D U . B 1
F7_4 F 0.51296(12) 0.75888(7) 0.48561(11) 0.0419(5) Uani 1 1 d D U . B 1
F8_4 F 0.62231(14) 0.76890(7) 0.45965(11) 0.0438(5) Uani 1 1 d D U . B 1
F9_4 F 0.60152(12) 0.77933(7) 0.55221(10) 0.0388(4) Uani 1 1 d D U . B 1
O1_5 O -0.08915(13) 0.53554(9) 0.39974(15) 0.0416(6) Uani 1 1 d D U . C 1
C1_5 C -0.15296(16) 0.53767(9) 0.42441(14) 0.0251(5) Uani 1 1 d D U . C 1
C2_5 C -0.1392(2) 0.52521(15) 0.49251(18) 0.0461(9) Uani 1 1 d D U . C 1
F1_5 F -0.13477(18) 0.47977(11) 0.49884(16) 0.0733(9) Uani 1 1 d D U . C 1
F2_5 F -0.19390(18) 0.53937(12) 0.52325(12) 0.0662(8) Uani 1 1 d D U . C 1
F3_5 F -0.07741(18) 0.54306(12) 0.51851(14) 0.0702(9) Uani 1 1 d D U . C 1
C3_5 C -0.18166(18) 0.58720(11) 0.41808(17) 0.0339(6) Uani 1 1 d D U . C 1
F4_5 F -0.17704(17) 0.60320(8) 0.36284(12) 0.0559(6) Uani 1 1 d D U . C 1
F5_5 F -0.14190(13) 0.61434(7) 0.45693(12) 0.0449(5) Uani 1 1 d D U . C 1
F6_5 F -0.25216(12) 0.59046(8) 0.42852(14) 0.0513(6) Uani 1 1 d D U . C 1
C4_5 C -0.21168(16) 0.50513(10) 0.39161(15) 0.0281(6) Uani 1 1 d D U . C 1
F7_5 F -0.24010(11) 0.52193(7) 0.33804(9) 0.0359(4) Uani 1 1 d D U . C 1
F8_5 F -0.26813(11) 0.49699(7) 0.42402(10) 0.0370(4) Uani 1 1 d D U . C 1
F9_5 F -0.18176(11) 0.46536(6) 0.38050(12) 0.0395(5) Uani 1 1 d D U . C 1
O1_6 O 0.0452(4) 0.5375(2) 0.3491(3) 0.0217(11) Uani 0.611(5) 1 d D U P C 1
C1_6 C 0.0890(5) 0.5711(3) 0.3729(3) 0.0218(12) Uani 0.611(5) 1 d D U P C 1
C2_6 C 0.1300(3) 0.5573(2) 0.4355(3) 0.0384(11) Uani 0.611(5) 1 d D U P C 1
F1_6 F 0.0830(3) 0.53702(19) 0.4691(2) 0.0440(10) Uani 0.611(5) 1 d D U P C 1
F2_6 F 0.1602(3) 0.59255(19) 0.4659(2) 0.0601(13) Uani 0.611(5) 1 d D U P C 1
F3_6 F 0.1840(4) 0.5275(2) 0.4288(4) 0.0490(15) Uani 0.611(5) 1 d D U P C 1
C3_6 C 0.1471(3) 0.58037(18) 0.3274(3) 0.0333(11) Uani 0.611(5) 1 d D U P C 1
F4_6 F 0.1173(3) 0.6029(3) 0.2792(3) 0.0464(14) Uani 0.611(5) 1 d D U P C 1
F5_6 F 0.1743(4) 0.5420(2) 0.3084(3) 0.0391(12) Uani 0.611(5) 1 d D U P C 1
F6_6 F 0.2037(4) 0.6053(2) 0.3524(4) 0.0524(16) Uani 0.611(5) 1 d D U P C 1
C4_6 C 0.0436(3) 0.61538(16) 0.3801(3) 0.0323(10) Uani 0.611(5) 1 d D U P C 1
F7_6 F -0.0089(4) 0.6195(3) 0.3346(4) 0.0401(16) Uani 0.611(5) 1 d D U P C 1
F8_6 F 0.0858(3) 0.65246(15) 0.3809(3) 0.0549(14) Uani 0.611(5) 1 d D U P C 1
F9_6 F 0.0128(8) 0.6151(6) 0.4322(6) 0.043(2) Uani 0.611(5) 1 d D U P C 1
O1_7 O -0.0833(2) 0.51556(18) 0.28657(19) 0.0264(11) Uani 0.471(6) 1 d D U P C
1
C1_7 C -0.0935(4) 0.5035(3) 0.2266(4) 0.0267(11) Uani 0.471(6) 1 d D U P C 1
C2_7 C -0.1548(6) 0.4646(3) 0.2060(5) 0.0416(16) Uani 0.471(6) 1 d D U P C 1
F1_7 F -0.1606(3) 0.4252(2) 0.2336(3) 0.0472(13) Uani 0.471(6) 1 d D U P C 1
F2_7 F -0.1643(10) 0.4586(6) 0.1456(4) 0.046(2) Uani 0.471(6) 1 d D U P C 1
F3_7 F -0.2161(5) 0.4882(3) 0.2187(4) 0.0486(16) Uani 0.471(6) 1 d D U P C 1
C3_7 C -0.0999(4) 0.5487(3) 0.1884(4) 0.0323(12) Uani 0.471(6) 1 d D U P C 1
F4_7 F -0.0337(3) 0.5667(2) 0.1877(3) 0.0401(13) Uani 0.471(6) 1 d D U P C 1
F5_7 F -0.1412(3) 0.57880(17) 0.2143(2) 0.0420(12) Uani 0.471(6) 1 d D U P C 1
F6_7 F -0.1296(4) 0.5423(3) 0.1321(3) 0.0395(13) Uani 0.471(6) 1 d D U P C 1
C4_7 C -0.0280(5) 0.4753(3) 0.2088(4) 0.0338(13) Uani 0.471(6) 1 d D U P C 1
F7_7 F 0.0358(4) 0.4910(2) 0.2346(4) 0.0388(14) Uani 0.471(6) 1 d D U P C 1
F8_7 F -0.0249(8) 0.4755(4) 0.1475(4) 0.0432(18) Uani 0.471(6) 1 d D U P C 1
F9_7 F -0.0348(3) 0.43224(18) 0.2249(3) 0.0475(12) Uani 0.471(6) 1 d D U P C 1
O1_8 O -0.00995(19) 0.45801(11) 0.4025(2) 0.0302(8) Uani 0.657(5) 1 d D U P C 1
C1_8 C 0.0182(4) 0.4148(3) 0.4040(4) 0.0378(13) Uani 0.657(5) 1 d D U P C 1
C2_8 C -0.0214(3) 0.37679(18) 0.3628(2) 0.0337(10) Uani 0.657(5) 1 d D U P C 1
F1_8 F -0.0924(4) 0.3887(2) 0.3544(3) 0.0409(13) Uani 0.657(5) 1 d D U P C 1
F2_8 F -0.0129(5) 0.3365(3) 0.3880(4) 0.0489(18) Uani 0.657(5) 1 d D U P C 1
F3_8 F 0.0032(2) 0.3729(3) 0.30895(19) 0.0740(17) Uani 0.657(5) 1 d D U P C 1
C3_8 C 0.0995(3) 0.41675(19) 0.3930(3) 0.0384(11) Uani 0.657(5) 1 d D U P C 1
F4_8 F 0.1373(2) 0.4413(2) 0.4329(4) 0.0731(16) Uani 0.657(5) 1 d D U P C 1
F5_8 F 0.1107(4) 0.4332(3) 0.3368(3) 0.070(2) Uani 0.657(5) 1 d D U P C 1
F6_8 F 0.1306(8) 0.3751(4) 0.3927(6) 0.042(2) Uani 0.657(5) 1 d D U P C 1
C4_8 C 0.0071(3) 0.4065(2) 0.4694(3) 0.0505(13) Uani 0.657(5) 1 d D U P C 1
F7_8 F 0.0253(2) 0.43398(13) 0.51620(16) 0.0435(9) Uani 0.657(5) 1 d D U P C 1
F8_8 F 0.0631(4) 0.3695(2) 0.4927(2) 0.0759(19) Uani 0.657(5) 1 d D U P C 1
F9_8 F -0.0612(3) 0.3955(2) 0.4759(2) 0.0585(16) Uani 0.657(5) 1 d D U P C 1
O1_9 O -0.0196(3) 0.45033(17) 0.3637(3) 0.0145(11) Uani 0.343(5) 1 d D U P C 2
C1_9 C 0.0161(8) 0.4187(5) 0.4052(6) 0.034(2) Uani 0.343(5) 1 d D U P C 2
C2_9 C -0.0395(6) 0.3790(3) 0.4061(5) 0.046(2) Uani 0.343(5) 1 d D U P C 2
F1_9 F -0.0742(5) 0.3824(4) 0.4577(5) 0.051(2) Uani 0.343(5) 1 d D U P C 2
F2_9 F -0.0053(11) 0.3378(5) 0.4054(7) 0.052(4) Uani 0.343(5) 1 d D U P C 2
F3_9 F -0.0897(8) 0.3732(3) 0.3540(7) 0.041(2) Uani 0.343(5) 1 d D U P C 2
C3_9 C 0.0793(6) 0.4049(4) 0.3657(5) 0.0421(19) Uani 0.343(5) 1 d D U P C 2
F4_9 F 0.1167(7) 0.4416(4) 0.3580(4) 0.0353(19) Uani 0.343(5) 1 d D U P C 2
F5_9 F 0.0393(6) 0.3921(3) 0.3123(4) 0.060(2) Uani 0.343(5) 1 d D U P C 2
F6_9 F 0.1205(17) 0.3712(8) 0.3906(15) 0.048(5) Uani 0.343(5) 1 d D U P C 2
C4_9 C 0.0636(6) 0.4216(4) 0.4715(6) 0.059(2) Uani 0.343(5) 1 d D U P C 2
F7_9 F 0.1313(4) 0.4367(3) 0.4730(6) 0.064(3) Uani 0.343(5) 1 d D U P C 2
F8_9 F 0.0523(5) 0.3882(3) 0.4962(4) 0.0495(19) Uani 0.343(5) 1 d D U P C 2
F9_9 F 0.0165(3) 0.45702(19) 0.4854(2) 0.0320(13) Uani 0.343(5) 1 d D U P C 2
O1_10 O 0.0539(6) 0.5331(4) 0.3688(4) 0.0244(19) Uani 0.389(5) 1 d D U P C 2
C1_10 C 0.0900(7) 0.5728(5) 0.3808(6) 0.0266(19) Uani 0.389(5) 1 d D U P C 2
C2_10 C 0.0651(4) 0.6092(3) 0.3315(4) 0.0313(14) Uani 0.389(5) 1 d D U P C 2
F1_10 F 0.0916(5) 0.5991(4) 0.2790(4) 0.043(2) Uani 0.389(5) 1 d D U P C 2
F2_10 F 0.0868(5) 0.6505(2) 0.3489(4) 0.0449(17) Uani 0.389(5) 1 d D U P C 2
F3_10 F -0.0086(6) 0.6088(4) 0.3217(6) 0.032(2) Uani 0.389(5) 1 d D U P C 2
C3_10 C 0.0772(5) 0.5911(3) 0.4446(4) 0.0378(16) Uani 0.389(5) 1 d D U P C 2
F4_10 F 0.0783(5) 0.5575(3) 0.4851(3) 0.0496(17) Uani 0.389(5) 1 d D U P C 2
F5_10 F 0.0123(11) 0.6114(10) 0.4433(9) 0.042(3) Uani 0.389(5) 1 d D U P C 2
F6_10 F 0.1290(4) 0.6208(3) 0.4664(3) 0.0546(19) Uani 0.389(5) 1 d D U P C 2
C4_10 C 0.1734(4) 0.5628(3) 0.3792(4) 0.0370(16) Uani 0.389(5) 1 d D U P C 2
F7_10 F 0.2007(6) 0.5399(4) 0.4283(6) 0.053(2) Uani 0.389(5) 1 d D U P C 2
F8_10 F 0.2135(6) 0.5998(4) 0.3768(5) 0.047(2) Uani 0.389(5) 1 d D U P C 2
F9_10 F 0.1836(6) 0.5378(4) 0.3321(4) 0.046(2) Uani 0.389(5) 1 d D U P C 2
O1_11 O -0.0688(2) 0.48529(15) 0.28752(16) 0.0230(9) Uani 0.529(6) 1 d D U P C
2
C1_11 C -0.0832(4) 0.4905(2) 0.2269(3) 0.0291(10) Uani 0.529(6) 1 d D U P C 2
C2_11 C -0.0221(5) 0.4669(3) 0.1948(4) 0.0426(14) Uani 0.529(6) 1 d D U P C 2
F1_11 F 0.0432(4) 0.4752(3) 0.2244(4) 0.0538(17) Uani 0.529(6) 1 d D U P C 2
F2_11 F -0.0224(7) 0.4820(4) 0.1374(4) 0.055(2) Uani 0.529(6) 1 d D U P C 2
F3_11 F -0.0273(3) 0.4223(2) 0.1955(3) 0.0603(13) Uani 0.529(6) 1 d D U P C 2
C3_11 C -0.1660(5) 0.4753(3) 0.2128(4) 0.0413(15) Uani 0.529(6) 1 d D U P C 2
F4_11 F -0.2229(5) 0.5052(3) 0.2134(4) 0.0545(18) Uani 0.529(6) 1 d D U P C 2
F5_11 F -0.1727(3) 0.4450(2) 0.2543(3) 0.0478(12) Uani 0.529(6) 1 d D U P C 2
F6_11 F -0.1711(9) 0.4544(5) 0.1578(4) 0.0488(19) Uani 0.529(6) 1 d D U P C 2
C4_11 C -0.0931(5) 0.5407(3) 0.2081(4) 0.0476(14) Uani 0.529(6) 1 d D U P C 2
F7_11 F -0.1260(4) 0.56383(19) 0.2461(3) 0.0704(16) Uani 0.529(6) 1 d D U P C 2
F8_11 F -0.1263(5) 0.5463(3) 0.1523(3) 0.0586(19) Uani 0.529(6) 1 d D U P C 2
F9_11 F -0.0228(5) 0.5583(3) 0.2091(3) 0.0722(19) Uani 0.529(6) 1 d D U P C 2
C1_12 C 0.86434(14) 0.89719(9) 0.42225(12) 0.0206(5) Uani 1 1 d D U . D 1
H1_12 H 0.917203 0.898117 0.414443 0.025 Uiso 1 1 calc R U . D 1
C2_12 C 0.84379(17) 0.94539(10) 0.44112(13) 0.0265(5) Uani 1 1 d D U . D 1
H2A_12 H 0.791721 0.945868 0.449630 0.032 Uiso 1 1 calc R U . D 1
H2B_12 H 0.875022 0.954112 0.478916 0.032 Uiso 1 1 calc R U . D 1
C3_12 C 0.85451(19) 0.97958(11) 0.39061(15) 0.0322(6) Uani 1 1 d D U . D 1
H3A_12 H 0.839309 1.010092 0.403059 0.039 Uiso 1 1 calc R U . D 1
H3B_12 H 0.907335 0.980926 0.384455 0.039 Uiso 1 1 calc R U . D 1
C4_12 C 0.8091(2) 0.96618(11) 0.33089(15) 0.0335(6) Uani 1 1 d D U . D 1
H4A_12 H 0.756018 0.967425 0.335987 0.040 Uiso 1 1 calc R U . D 1
H4B_12 H 0.818554 0.987915 0.298493 0.040 Uiso 1 1 calc R U . D 1
C5_12 C 0.8293(2) 0.91842(12) 0.31208(14) 0.0370(7) Uani 1 1 d D U . D 1
H5A_12 H 0.881191 0.918061 0.303190 0.044 Uiso 1 1 calc R U . D 1
H5B_12 H 0.797799 0.909890 0.274309 0.044 Uiso 1 1 calc R U . D 1
C6_12 C 0.81928(18) 0.88338(10) 0.36209(13) 0.0278(6) Uani 1 1 d D U . D 1
H6A_12 H 0.766476 0.881256 0.368094 0.033 Uiso 1 1 calc R U . D 1
H6B_12 H 0.835638 0.853210 0.349319 0.033 Uiso 1 1 calc R U . D 1
C1_13 C 1.11676(14) 0.93219(9) 0.56448(12) 0.0203(5) Uani 1 1 d D U . E 1
H1_13 H 1.084479 0.937467 0.597486 0.024 Uiso 1 1 calc R U . E 1
C2_13 C 1.06967(15) 0.94516(9) 0.50459(13) 0.0231(5) Uani 1 1 d D U . E 1
H2A_13 H 1.099625 0.942403 0.470107 0.028 Uiso 1 1 calc R U . E 1
H2B_13 H 1.027262 0.924195 0.497187 0.028 Uiso 1 1 calc R U . E 1
C3_13 C 1.04171(16) 0.99394(10) 0.50844(14) 0.0269(5) Uani 1 1 d D U . E 1
H3A_13 H 1.014852 1.002672 0.468681 0.032 Uiso 1 1 calc R U . E 1
H3B_13 H 1.006730 0.995587 0.539500 0.032 Uiso 1 1 calc R U . E 1
C4_13 C 1.10471(17) 1.02729(10) 0.52507(13) 0.0271(5) Uani 1 1 d D U . E 1
H4A_13 H 1.135737 1.028919 0.491163 0.032 Uiso 1 1 calc R U . E 1
H4B_13 H 1.084076 1.057858 0.530607 0.032 Uiso 1 1 calc R U . E 1
C5_13 C 1.15229(16) 1.01342(10) 0.58318(14) 0.0264(5) Uani 1 1 d D U . E 1
H5A_13 H 1.122721 1.015058 0.618020 0.032 Uiso 1 1 calc R U . E 1
H5B_13 H 1.194091 1.034789 0.591084 0.032 Uiso 1 1 calc R U . E 1
C6_13 C 1.18205(15) 0.96504(9) 0.57794(13) 0.0233(5) Uani 1 1 d D U . E 1
H6A_13 H 1.211748 0.956350 0.616506 0.028 Uiso 1 1 calc R U . E 1
H6B_13 H 1.214103 0.963590 0.544721 0.028 Uiso 1 1 calc R U . E 1
C1_14 C 1.16933(15) 0.85223(9) 0.49531(13) 0.0225(5) Uani 1 1 d D U . F 1
H1_14 H 1.128367 0.859240 0.462642 0.027 Uiso 1 1 calc R U . F 1
C2_14 C 1.18061(18) 0.80044(10) 0.49431(14) 0.0296(6) Uani 1 1 d D U . F 1
H2A_14 H 1.219807 0.791737 0.526936 0.035 Uiso 1 1 calc R U . F 1
H2B_14 H 1.134503 0.785073 0.502372 0.035 Uiso 1 1 calc R U . F 1
C3_14 C 1.20218(19) 0.78492(11) 0.43249(15) 0.0322(6) Uani 1 1 d D U . F 1
H3A_14 H 1.212894 0.752014 0.434172 0.039 Uiso 1 1 calc R U . F 1
H3B_14 H 1.160147 0.789940 0.400747 0.039 Uiso 1 1 calc R U . F 1
C4_14 C 1.2693(2) 0.81023(12) 0.41497(17) 0.0383(7) Uani 1 1 d D U . F 1
H4A_14 H 1.279485 0.800743 0.373727 0.046 Uiso 1 1 calc R U . F 1
H4B_14 H 1.312930 0.802586 0.444018 0.046 Uiso 1 1 calc R U . F 1
C5_14 C 1.2560(2) 0.86138(12) 0.41568(17) 0.0389(7) Uani 1 1 d D U . F 1
H5A_14 H 1.214824 0.869170 0.384339 0.047 Uiso 1 1 calc R U . F 1
H5B_14 H 1.300666 0.877335 0.405323 0.047 Uiso 1 1 calc R U . F 1
C6_14 C 1.23763(18) 0.87751(10) 0.47829(16) 0.0303(6) Uani 1 1 d D U . F 1
H6A_14 H 1.228006 0.910544 0.477104 0.036 Uiso 1 1 calc R U . F 1
H6B_14 H 1.279993 0.871652 0.509423 0.036 Uiso 1 1 calc R U . F 1
C1_15 C 1.06439(15) 0.89102(10) 0.75916(12) 0.0225(5) Uani 1 1 d D U . G 1
H1_15 H 1.021755 0.875129 0.774469 0.027 Uiso 1 1 calc R U . G 1
C2_15 C 1.03373(16) 0.93355(10) 0.72505(13) 0.0257(5) Uani 1 1 d D U . G 1
H2A_15 H 1.074306 0.949694 0.708033 0.031 Uiso 1 1 calc R U . G 1
H2B_15 H 0.997081 0.924470 0.690684 0.031 Uiso 1 1 calc R U . G 1
C3_15 C 0.99722(17) 0.96552(11) 0.76756(14) 0.0294(6) Uani 1 1 d D U . G 1
H3A_15 H 0.979787 0.993168 0.744915 0.035 Uiso 1 1 calc R U . G 1
H3B_15 H 0.953951 0.950350 0.781815 0.035 Uiso 1 1 calc R U . G 1
C4_15 C 1.05155(19) 0.97865(11) 0.82226(14) 0.0307(6) Uani 1 1 d D U . G 1
H4A_15 H 1.026767 0.998536 0.849762 0.037 Uiso 1 1 calc R U . G 1
H4B_15 H 1.093155 0.995722 0.808229 0.037 Uiso 1 1 calc R U . G 1
C5_15 C 1.08074(19) 0.93639(11) 0.85683(14) 0.0309(6) Uani 1 1 d D U . G 1
H5A_15 H 1.039457 0.920476 0.873143 0.037 Uiso 1 1 calc R U . G 1
H5B_15 H 1.116661 0.945437 0.891715 0.037 Uiso 1 1 calc R U . G 1
C6_15 C 1.11801(16) 0.90423(10) 0.81534(12) 0.0263(5) Uani 1 1 d D U . G 1
H6A_15 H 1.134536 0.876568 0.838358 0.032 Uiso 1 1 calc R U . G 1
H6B_15 H 1.161957 0.919162 0.801911 0.032 Uiso 1 1 calc R U . G 1
C1_16 C 0.88472(15) 0.79976(9) 0.46514(12) 0.0214(5) Uani 1 1 d D U . H 1
H1_16 H 0.897050 0.783079 0.504396 0.026 Uiso 1 1 calc R U . H 1
C2_16 C 0.95620(16) 0.80113(10) 0.43419(13) 0.0263(5) Uani 1 1 d D U . H 1
H2A_16 H 0.947398 0.818119 0.395386 0.032 Uiso 1 1 calc R U . H 1
H2B_16 H 0.995107 0.817093 0.460940 0.032 Uiso 1 1 calc R U . H 1
C3_16 C 0.98221(19) 0.75276(12) 0.42147(16) 0.0353(7) Uani 1 1 d D U . H 1
H3A_16 H 1.025997 0.754330 0.398913 0.042 Uiso 1 1 calc R U . H 1
H3B_16 H 0.996751 0.737060 0.460618 0.042 Uiso 1 1 calc R U . H 1
C4_16 C 0.9220(2) 0.72595(12) 0.38456(17) 0.0402(8) Uani 1 1 d D U . H 1
H4A_16 H 0.939562 0.694711 0.378467 0.048 Uiso 1 1 calc R U . H 1
H4B_16 H 0.910512 0.740156 0.343971 0.048 Uiso 1 1 calc R U . H 1
C5_16 C 0.8525(2) 0.72425(11) 0.41659(18) 0.0387(7) Uani 1 1 d D U . H 1
H5A_16 H 0.863247 0.708288 0.456040 0.046 Uiso 1 1 calc R U . H 1
H5B_16 H 0.813921 0.706937 0.391271 0.046 Uiso 1 1 calc R U . H 1
C6_16 C 0.82392(17) 0.77191(10) 0.42782(14) 0.0284(6) Uani 1 1 d D U . H 1
H6A_16 H 0.780092 0.769938 0.450293 0.034 Uiso 1 1 calc R U . H 1
H6B_16 H 0.809115 0.787097 0.388349 0.034 Uiso 1 1 calc R U . H 1
C1_17 C 1.13122(18) 0.79980(10) 0.75268(13) 0.0278(6) Uani 1 1 d D U . I 1
H1_17 H 1.157058 0.809485 0.792964 0.033 Uiso 1 1 calc R U . I 1
C2_17 C 1.18464(19) 0.77011(12) 0.72113(16) 0.0346(7) Uani 1 1 d D U . I 1
H2A_17 H 1.162202 0.762706 0.679370 0.042 Uiso 1 1 calc R U . I 1
H2B_17 H 1.230675 0.787200 0.717828 0.042 Uiso 1 1 calc R U . I 1
C3_17 C 1.2028(3) 0.72627(14) 0.7564(2) 0.0496(10) Uani 1 1 d D U . I 1
H3A_17 H 1.234438 0.706921 0.733521 0.059 Uiso 1 1 calc R U . I 1
H3B_17 H 1.230550 0.733447 0.796412 0.059 Uiso 1 1 calc R U . I 1
C4_17 C 1.1329(3) 0.70069(14) 0.7661(2) 0.0564(12) Uani 1 1 d D U . I 1
H4A_17 H 1.107626 0.691157 0.726064 0.068 Uiso 1 1 calc R U . I 1
H4B_17 H 1.145991 0.673041 0.790319 0.068 Uiso 1 1 calc R U . I 1
C5_17 C 1.0808(4) 0.72951(15) 0.7988(2) 0.0646(15) Uani 1 1 d D U . I 1
H5A_17 H 1.104207 0.736536 0.840389 0.077 Uiso 1 1 calc R U . I 1
H5B_17 H 1.035122 0.712186 0.802598 0.077 Uiso 1 1 calc R U . I 1
C6_17 C 1.0613(2) 0.77374(11) 0.76468(16) 0.0380(7) Uani 1 1 d D U . I 1
H6A_17 H 1.031080 0.792898 0.789050 0.046 Uiso 1 1 calc R U . I 1
H6B_17 H 1.031616 0.766925 0.725378 0.046 Uiso 1 1 calc R U . I 1
C1_18 C 0.76600(15) 0.92753(9) 0.61908(13) 0.0223(5) Uani 1 1 d D U . J 1
H1_18 H 0.773595 0.940259 0.578288 0.027 Uiso 1 1 calc R U . J 1
C2_18 C 0.80532(17) 0.95971(10) 0.66685(13) 0.0267(5) Uani 1 1 d D U . J 1
H2A_18 H 0.798260 0.948963 0.708266 0.032 Uiso 1 1 calc R U . J 1
H2B_18 H 0.858839 0.959963 0.663143 0.032 Uiso 1 1 calc R U . J 1
C3_18 C 0.7742(2) 1.00760(11) 0.65743(16) 0.0369(7) Uani 1 1 d D U . J 1
H3A_18 H 0.798811 1.027902 0.689189 0.044 Uiso 1 1 calc R U . J 1
H3B_18 H 0.784894 1.019104 0.617225 0.044 Uiso 1 1 calc R U . J 1
C4_18 C 0.6915(2) 1.00847(13) 0.6605(2) 0.0468(9) Uani 1 1 d D U . J 1
H4A_18 H 0.672738 1.039616 0.652338 0.056 Uiso 1 1 calc R U . J 1
H4B_18 H 0.681083 0.999745 0.701930 0.056 Uiso 1 1 calc R U . J 1
C5_18 C 0.6518(2) 0.97583(14) 0.6138(2) 0.0492(9) Uani 1 1 d D U . J 1
H5A_18 H 0.658074 0.986409 0.572104 0.059 Uiso 1 1 calc R U . J 1
H5B_18 H 0.598476 0.975734 0.618114 0.059 Uiso 1 1 calc R U . J 1
C6_18 C 0.68233(17) 0.92758(11) 0.62258(18) 0.0350(7) Uani 1 1 d D U . J 1
H6A_18 H 0.657735 0.907493 0.590578 0.042 Uiso 1 1 calc R U . J 1
H6B_18 H 0.671974 0.915796 0.662719 0.042 Uiso 1 1 calc R U . J 1
C1_19 C 0.79972(16) 0.84850(10) 0.69989(12) 0.0239(5) Uani 1 1 d D U . K 1
H1_19 H 0.763067 0.867997 0.718032 0.029 Uiso 1 1 calc R U . K 1
C2_19 C 0.87323(16) 0.85319(11) 0.74073(13) 0.0265(5) Uani 1 1 d D U . K 1
H2A_19 H 0.911297 0.834766 0.723652 0.032 Uiso 1 1 calc R U . K 1
H2B_19 H 0.889320 0.885254 0.741271 0.032 Uiso 1 1 calc R U . K 1
C3_19 C 0.86617(19) 0.83763(12) 0.80597(14) 0.0332(6) Uani 1 1 d D U . K 1
H3A_19 H 0.914860 0.839610 0.830610 0.040 Uiso 1 1 calc R U . K 1
H3B_19 H 0.831738 0.857930 0.824519 0.040 Uiso 1 1 calc R U . K 1
C4_19 C 0.8381(2) 0.78923(13) 0.80668(17) 0.0431(8) Uani 1 1 d D U . K 1
H4A_19 H 0.831673 0.780354 0.849000 0.052 Uiso 1 1 calc R U . K 1
H4B_19 H 0.874652 0.768532 0.791603 0.052 Uiso 1 1 calc R U . K 1
C5_19 C 0.7638(2) 0.78481(13) 0.76615(16) 0.0414(8) Uani 1 1 d D U . K 1
H5A_19 H 0.746931 0.752910 0.766198 0.050 Uiso 1 1 calc R U . K 1
H5B_19 H 0.726337 0.803826 0.783056 0.050 Uiso 1 1 calc R U . K 1
C6_19 C 0.77119(18) 0.79964(11) 0.70058(14) 0.0312(6) Uani 1 1 d D U . K 1
H6A_19 H 0.805775 0.779183 0.682465 0.037 Uiso 1 1 calc R U . K 1
H6B_19 H 0.722630 0.797591 0.675759 0.037 Uiso 1 1 calc R U . K 1
C1_20 C 0.99805(16) 0.73672(9) 0.59868(13) 0.0251(5) Uani 1 1 d D U . L 1
C2_20 C 0.93107(18) 0.74258(10) 0.62235(15) 0.0308(6) Uani 1 1 d D U . L 1
H2_20 H 0.917724 0.771668 0.635972 0.037 Uiso 1 1 calc R U . L 1
C3_20 C 0.8832(2) 0.70562(13) 0.6261(2) 0.0461(9) Uani 1 1 d D U . L 1
H3_20 H 0.837751 0.710011 0.642393 0.055 Uiso 1 1 calc R U . L 1
C4_20 C 0.9013(3) 0.66301(13) 0.6066(3) 0.0564(11) Uani 1 1 d D U . L 1
H4_20 H 0.868418 0.638278 0.608898 0.068 Uiso 1 1 calc R U . L 1
C5_20 C 0.9676(3) 0.65690(13) 0.5838(2) 0.0510(10) Uani 1 1 d D U . L 1
H5_20 H 0.980613 0.627613 0.570688 0.061 Uiso 1 1 calc R U . L 1
C6_20 C 1.0159(2) 0.69298(11) 0.57960(17) 0.0368(7) Uani 1 1 d D U . L 1
H6_20 H 1.061463 0.688007 0.563696 0.044 Uiso 1 1 calc R U . L 1
O1_21 O 0.5219(15) 0.6619(10) 0.6772(13) 0.036(5) Uani 0.104(3) 1 d D U P A 2
C1_21 C 0.5737(12) 0.6440(7) 0.7191(10) 0.037(3) Uani 0.104(3) 1 d D U P A 2
C2_21 C 0.5375(15) 0.6297(8) 0.7768(11) 0.043(4) Uani 0.104(3) 1 d D U P A 2
F1_21 F 0.5858(15) 0.6277(12) 0.8270(10) 0.071(7) Uani 0.104(3) 1 d D U P A 2
F2_21 F 0.4905(19) 0.6626(11) 0.7880(18) 0.068(7) Uani 0.104(3) 1 d D U P A 2
F3_21 F 0.5019(13) 0.5903(7) 0.7662(12) 0.055(5) Uani 0.104(3) 1 d D U P A 2
C3_21 C 0.6057(13) 0.6011(7) 0.6906(10) 0.046(4) Uani 0.104(3) 1 d D U P A 2
F4_21 F 0.6429(16) 0.5768(10) 0.7339(13) 0.075(6) Uani 0.104(3) 1 d D U P A 2
F5_21 F 0.5519(15) 0.5754(10) 0.6641(15) 0.067(6) Uani 0.104(3) 1 d D U P A 2
F6_21 F 0.6499(19) 0.6144(12) 0.6501(15) 0.070(7) Uani 0.104(3) 1 d D U P A 2
C4_21 C 0.6336(12) 0.6804(7) 0.7382(9) 0.042(4) Uani 0.104(3) 1 d D U P A 2
F7_21 F 0.6534(11) 0.7015(8) 0.6885(8) 0.050(5) Uani 0.104(3) 1 d D U P A 2
F8_21 F 0.6941(12) 0.6615(9) 0.7668(12) 0.058(6) Uani 0.104(3) 1 d D U P A 2
F9_21 F 0.6061(16) 0.7114(8) 0.7737(10) 0.064(6) Uani 0.104(3) 1 d D U P A 2
H1 H 0.926(3) 0.9300(19) 0.583(3) 0.063(15) Uiso 1 1 d . . . . .
O1_22 O 0.4999(15) 0.7524(8) 0.6366(13) 0.038(3) Uani 0.106(3) 1 d D U P A 2
C1_22 C 0.4715(11) 0.7914(7) 0.6564(9) 0.039(2) Uani 0.106(3) 1 d D U P A 2
C2_22 C 0.5318(11) 0.8295(7) 0.6643(10) 0.047(3) Uani 0.106(3) 1 d D U P A 2
F1_22 F 0.5936(12) 0.8113(10) 0.6908(13) 0.052(4) Uani 0.106(3) 1 d D U P A 2
F2_22 F 0.5459(14) 0.8429(7) 0.6112(10) 0.048(3) Uani 0.106(3) 1 d D U P A 2
F3_22 F 0.5119(13) 0.8651(7) 0.6950(12) 0.054(4) Uani 0.106(3) 1 d D U P A 2
C3_22 C 0.4084(11) 0.8098(8) 0.6093(10) 0.042(3) Uani 0.106(3) 1 d D U P A 2
F4_22 F 0.3470(9) 0.7862(7) 0.6088(12) 0.044(4) Uani 0.106(3) 1 d D U P A 2
F5_22 F 0.4387(15) 0.8117(12) 0.5573(12) 0.058(4) Uani 0.106(3) 1 d D U P A 2
F6_22 F 0.3942(19) 0.8533(9) 0.6208(18) 0.046(4) Uani 0.106(3) 1 d D U P A 2
C4_22 C 0.4407(12) 0.7859(7) 0.7185(9) 0.044(2) Uani 0.106(3) 1 d D U P A 2
F7_22 F 0.4047(13) 0.7468(8) 0.7203(11) 0.053(4) Uani 0.106(3) 1 d D U P A 2
F8_22 F 0.3986(13) 0.8210(8) 0.7263(12) 0.057(4) Uani 0.106(3) 1 d D U P A 2
F9_22 F 0.4961(12) 0.7854(9) 0.7631(9) 0.052(4) Uani 0.106(3) 1 d D U P A 2
O1_23 O 0.4028(13) 0.6848(9) 0.5899(12) 0.042(5) Uani 0.099(3) 1 d D U P A 2
C1_23 C 0.3455(11) 0.6556(7) 0.5828(9) 0.040(3) Uani 0.099(3) 1 d D U P A 2
C2_23 C 0.2756(11) 0.6839(7) 0.5600(11) 0.047(4) Uani 0.099(3) 1 d D U P A 2
F1_23 F 0.2541(13) 0.7076(8) 0.6056(10) 0.053(5) Uani 0.099(3) 1 d D U P A 2
F2_23 F 0.2202(12) 0.6569(8) 0.5401(14) 0.059(6) Uani 0.099(3) 1 d D U P A 2
F3_23 F 0.2891(14) 0.7133(8) 0.5163(10) 0.054(5) Uani 0.099(3) 1 d D U P A 2
C3_23 C 0.3604(13) 0.6189(8) 0.5353(10) 0.044(4) Uani 0.099(3) 1 d D U P A 2
F4_23 F 0.4306(12) 0.6071(10) 0.5436(14) 0.058(5) Uani 0.099(3) 1 d D U P A 2
F5_23 F 0.3490(16) 0.6369(8) 0.4789(9) 0.057(5) Uani 0.099(3) 1 d D U P A 2
F6_23 F 0.3143(13) 0.5837(7) 0.5367(12) 0.056(5) Uani 0.099(3) 1 d D U P A 2
C4_23 C 0.3358(13) 0.6335(7) 0.6457(10) 0.040(4) Uani 0.099(3) 1 d D U P A 2
F7_23 F 0.3829(11) 0.5997(7) 0.6566(12) 0.051(5) Uani 0.099(3) 1 d D U P A 2
F8_23 F 0.2680(12) 0.6168(8) 0.6443(13) 0.052(5) Uani 0.099(3) 1 d D U P A 2
F9_23 F 0.3430(17) 0.6638(8) 0.6891(11) 0.061(6) Uani 0.099(3) 1 d D U P A 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 P2 2.4078(8) . ?
Ga1 P1 2.4116(8) . ?
Ga1 Ga2 2.4321(5) . ?
Ga1 H1 1.49(6) . ?
Ga2 N1 1.871(2) . ?
Ga2 P3 2.4268(8) . ?
Ga2 P4 2.4697(8) . ?
P1 C1_16 1.840(3) . ?
P1 C1 1.840(3) . ?
P1 C1_12 1.844(3) . ?
P2 C2 1.832(3) . ?
P2 C1_18 1.835(3) . ?
P2 C1_19 1.842(3) . ?
P3 C3 1.833(3) . ?
P3 C1_14 1.833(3) . ?
P3 C1_13 1.845(3) . ?
P4 C1_17 1.839(3) . ?
P4 C4 1.844(3) . ?
P4 C1_15 1.846(3) . ?
Al1 O1_9 1.664(5) . ?
Al1 O1_5 1.715(2) . ?
Al1 O1_6 1.716(7) . ?
Al1 O1_11 1.720(4) . ?
Al1 O1_7 1.747(4) . ?
Al1 O1_10 1.756(11) . ?
Al1 O1_8 1.756(3) . ?
Al2 O1_21 1.68(2) . ?
Al2 O1_3 1.712(3) . ?
Al2 O1_1 1.729(3) . ?
Al2 O1_4 1.729(2) . ?
Al2 O1_2 1.730(2) . ?
Al2 O1_23 1.78(2) . ?
Al2 O1_22 1.92(2) . ?
N1 C1_20 1.395(4) . ?
N1 H2 0.95(3) . ?
C4 C3 1.542(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C1 C2 1.539(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
O1_1 C1_1 1.349(4) . ?
C1_1 C3_1 1.560(5) . ?
C1_1 C4_1 1.561(5) . ?
C1_1 C2_1 1.564(5) . ?
C2_1 F3_1 1.329(4) . ?
C2_1 F2_1 1.334(4) . ?
C2_1 F1_1 1.337(4) . ?
C3_1 F4_1 1.321(5) . ?
C3_1 F5_1 1.332(5) . ?
C3_1 F6_1 1.345(4) . ?
C4_1 F7_1 1.329(5) . ?
C4_1 F9_1 1.332(5) . ?
C4_1 F8_1 1.348(5) . ?
O1_2 C1_2 1.343(4) . ?
C1_2 C2_2 1.555(5) . ?
C1_2 C3_2 1.560(5) . ?
C1_2 C4_2 1.560(5) . ?
C2_2 F3_2 1.328(5) . ?
C2_2 F1_2 1.335(5) . ?
C2_2 F2_2 1.335(4) . ?
C3_2 F5_2 1.332(5) . ?
C3_2 F6_2 1.335(4) . ?
C3_2 F4_2 1.340(5) . ?
C4_2 F7_2 1.324(5) . ?
C4_2 F8_2 1.333(4) . ?
C4_2 F9_2 1.337(5) . ?
O1_3 C1_3 1.346(4) . ?
C1_3 C4_3 1.544(5) . ?
C1_3 C3_3 1.559(5) . ?
C1_3 C2_3 1.568(5) . ?
C2_3 F1_3 1.328(6) . ?
C2_3 F3_3 1.331(6) . ?
C2_3 F2_3 1.346(5) . ?
C3_3 F4_3 1.329(5) . ?
C3_3 F6_3 1.329(4) . ?
C3_3 F5_3 1.345(4) . ?
C4_3 F9_3 1.337(5) . ?
C4_3 F8_3 1.337(5) . ?
C4_3 F7_3 1.339(6) . ?
O1_4 C1_4 1.348(3) . ?
C1_4 C3_4 1.556(4) . ?
C1_4 C4_4 1.558(4) . ?
C1_4 C2_4 1.570(5) . ?
C2_4 F3_4 1.325(4) . ?
C2_4 F1_4 1.333(4) . ?
C2_4 F2_4 1.336(4) . ?
C3_4 F5_4 1.327(4) . ?
C3_4 F6_4 1.327(4) . ?
C3_4 F4_4 1.333(5) . ?
C4_4 F9_4 1.326(4) . ?
C4_4 F7_4 1.330(4) . ?
C4_4 F8_4 1.338(4) . ?
O1_5 C1_5 1.343(3) . ?
C1_5 C2_5 1.541(5) . ?
C1_5 C3_5 1.553(4) . ?
C1_5 C4_5 1.555(4) . ?
C2_5 F3_5 1.316(5) . ?
C2_5 F2_5 1.337(5) . ?
C2_5 F1_5 1.349(5) . ?
C3_5 F4_5 1.320(4) . ?
C3_5 F5_5 1.328(4) . ?
C3_5 F6_5 1.337(4) . ?
C4_5 F9_5 1.329(3) . ?
C4_5 F7_5 1.332(4) . ?
C4_5 F8_5 1.341(3) . ?
O1_6 C1_6 1.344(9) . ?
C1_6 C2_6 1.550(9) . ?
C1_6 C4_6 1.565(9) . ?
C1_6 C3_6 1.566(9) . ?
C2_6 F2_6 1.324(7) . ?
C2_6 F1_6 1.338(7) . ?
C2_6 F3_6 1.342(10) . ?
C3_6 F4_6 1.319(9) . ?
C3_6 F5_6 1.322(8) . ?
C3_6 F6_6 1.335(8) . ?
C4_6 F7_6 1.312(10) . ?
C4_6 F9_6 1.336(12) . ?
C4_6 F8_6 1.337(7) . ?
O1_7 C1_7 1.363(9) . ?
C1_7 C4_7 1.546(9) . ?
C1_7 C3_7 1.574(10) . ?
C1_7 C2_7 1.631(11) . ?
C2_7 F1_7 1.323(11) . ?
C2_7 F2_7 1.335(10) . ?
C2_7 F3_7 1.375(11) . ?
C3_7 F6_7 1.312(9) . ?
C3_7 F4_7 1.323(9) . ?
C3_7 F5_7 1.334(8) . ?
C4_7 F7_7 1.322(10) . ?
C4_7 F9_7 1.328(10) . ?
C4_7 F8_7 1.361(10) . ?
O1_8 C1_8 1.372(9) . ?
C1_8 C4_8 1.501(10) . ?
C1_8 C3_8 1.532(9) . ?
C1_8 C2_8 1.568(9) . ?
C2_8 F2_8 1.313(9) . ?
C2_8 F3_8 1.324(6) . ?
C2_8 F1_8 1.335(8) . ?
C3_8 F4_8 1.280(8) . ?
C3_8 F6_8 1.355(10) . ?
C3_8 F5_8 1.369(8) . ?
C4_8 F9_8 1.312(8) . ?
C4_8 F7_8 1.327(7) . ?
C4_8 F8_8 1.544(8) . ?
O1_9 C1_9 1.413(14) . ?
C1_9 C2_9 1.551(15) . ?
C1_9 C3_9 1.575(15) . ?
C1_9 C4_9 1.617(15) . ?
C2_9 F2_9 1.367(14) . ?
C2_9 F1_9 1.370(13) . ?
C2_9 F3_9 1.397(14) . ?
C3_9 F4_9 1.302(14) . ?
C3_9 F6_9 1.328(16) . ?
C3_9 F5_9 1.368(13) . ?
C4_9 F8_9 1.156(14) . ?
C4_9 F7_9 1.312(13) . ?
C4_9 F9_9 1.410(13) . ?
O1_10 C1_10 1.355(14) . ?
C1_10 C3_10 1.553(13) . ?
C1_10 C4_10 1.556(14) . ?
C1_10 C2_10 1.559(14) . ?
C2_10 F2_10 1.323(10) . ?
C2_10 F3_10 1.339(12) . ?
C2_10 F1_10 1.340(12) . ?
C3_10 F5_10 1.324(16) . ?
C3_10 F4_10 1.334(11) . ?
C3_10 F6_10 1.337(9) . ?
C4_10 F9_10 1.304(12) . ?
C4_10 F8_10 1.319(12) . ?
C4_10 F7_10 1.326(13) . ?
O1_11 C1_11 1.344(8) . ?
C1_11 C4_11 1.543(10) . ?
C1_11 C2_11 1.553(9) . ?
C1_11 C3_11 1.574(11) . ?
C2_11 F1_11 1.315(10) . ?
C2_11 F3_11 1.321(11) . ?
C2_11 F2_11 1.342(9) . ?
C3_11 F5_11 1.295(10) . ?
C3_11 F6_11 1.356(11) . ?
C3_11 F4_11 1.364(10) . ?
C4_11 F7_11 1.284(10) . ?
C4_11 F8_11 1.321(9) . ?
C4_11 F9_11 1.383(10) . ?
C1_12 C6_12 1.536(4) . ?
C1_12 C2_12 1.540(4) . ?
C1_12 H1_12 1.0000 . ?
C2_12 C3_12 1.533(4) . ?
C2_12 H2A_12 0.9900 . ?
C2_12 H2B_12 0.9900 . ?
C3_12 C4_12 1.528(5) . ?
C3_12 H3A_12 0.9900 . ?
C3_12 H3B_12 0.9900 . ?
C4_12 C5_12 1.525(5) . ?
C4_12 H4A_12 0.9900 . ?
C4_12 H4B_12 0.9900 . ?
C5_12 C6_12 1.538(4) . ?
C5_12 H5A_12 0.9900 . ?
C5_12 H5B_12 0.9900 . ?
C6_12 H6A_12 0.9900 . ?
C6_12 H6B_12 0.9900 . ?
C1_13 C6_13 1.539(4) . ?
C1_13 C2_13 1.542(4) . ?
C1_13 H1_13 1.0000 . ?
C2_13 C3_13 1.532(4) . ?
C2_13 H2A_13 0.9900 . ?
C2_13 H2B_13 0.9900 . ?
C3_13 C4_13 1.526(4) . ?
C3_13 H3A_13 0.9900 . ?
C3_13 H3B_13 0.9900 . ?
C4_13 C5_13 1.522(4) . ?
C4_13 H4A_13 0.9900 . ?
C4_13 H4B_13 0.9900 . ?
C5_13 C6_13 1.536(4) . ?
C5_13 H5A_13 0.9900 . ?
C5_13 H5B_13 0.9900 . ?
C6_13 H6A_13 0.9900 . ?
C6_13 H6B_13 0.9900 . ?
C1_14 C6_14 1.536(4) . ?
C1_14 C2_14 1.542(4) . ?
C1_14 H1_14 1.0000 . ?
C2_14 C3_14 1.533(4) . ?
C2_14 H2A_14 0.9900 . ?
C2_14 H2B_14 0.9900 . ?
C3_14 C4_14 1.523(5) . ?
C3_14 H3A_14 0.9900 . ?
C3_14 H3B_14 0.9900 . ?
C4_14 C5_14 1.528(5) . ?
C4_14 H4A_14 0.9900 . ?
C4_14 H4B_14 0.9900 . ?
C5_14 C6_14 1.535(4) . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5B_14 0.9900 . ?
C6_14 H6A_14 0.9900 . ?
C6_14 H6B_14 0.9900 . ?
C1_15 C2_15 1.536(4) . ?
C1_15 C6_15 1.541(4) . ?
C1_15 H1_15 1.0000 . ?
C2_15 C3_15 1.535(4) . ?
C2_15 H2A_15 0.9900 . ?
C2_15 H2B_15 0.9900 . ?
C3_15 C4_15 1.523(4) . ?
C3_15 H3A_15 0.9900 . ?
C3_15 H3B_15 0.9900 . ?
C4_15 C5_15 1.526(4) . ?
C4_15 H4A_15 0.9900 . ?
C4_15 H4B_15 0.9900 . ?
C5_15 C6_15 1.531(4) . ?
C5_15 H5A_15 0.9900 . ?
C5_15 H5B_15 0.9900 . ?
C6_15 H6A_15 0.9900 . ?
C6_15 H6B_15 0.9900 . ?
C1_16 C2_16 1.541(4) . ?
C1_16 C6_16 1.542(4) . ?
C1_16 H1_16 1.0000 . ?
C2_16 C3_16 1.539(4) . ?
C2_16 H2A_16 0.9900 . ?
C2_16 H2B_16 0.9900 . ?
C3_16 C4_16 1.515(5) . ?
C3_16 H3A_16 0.9900 . ?
C3_16 H3B_16 0.9900 . ?
C4_16 C5_16 1.522(5) . ?
C4_16 H4A_16 0.9900 . ?
C4_16 H4B_16 0.9900 . ?
C5_16 C6_16 1.529(4) . ?
C5_16 H5A_16 0.9900 . ?
C5_16 H5B_16 0.9900 . ?
C6_16 H6A_16 0.9900 . ?
C6_16 H6B_16 0.9900 . ?
C1_17 C2_17 1.536(5) . ?
C1_17 C6_17 1.539(5) . ?
C1_17 H1_17 1.0000 . ?
C2_17 C3_17 1.527(4) . ?
C2_17 H2A_17 0.9900 . ?
C2_17 H2B_17 0.9900 . ?
C3_17 C4_17 1.519(7) . ?
C3_17 H3A_17 0.9900 . ?
C3_17 H3B_17 0.9900 . ?
C4_17 C5_17 1.518(6) . ?
C4_17 H4A_17 0.9900 . ?
C4_17 H4B_17 0.9900 . ?
C5_17 C6_17 1.528(5) . ?
C5_17 H5A_17 0.9900 . ?
C5_17 H5B_17 0.9900 . ?
C6_17 H6A_17 0.9900 . ?
C6_17 H6B_17 0.9900 . ?
C1_18 C2_18 1.535(4) . ?
C1_18 C6_18 1.539(4) . ?
C1_18 H1_18 1.0000 . ?
C2_18 C3_18 1.528(4) . ?
C2_18 H2A_18 0.9900 . ?
C2_18 H2B_18 0.9900 . ?
C3_18 C4_18 1.520(6) . ?
C3_18 H3A_18 0.9900 . ?
C3_18 H3B_18 0.9900 . ?
C4_18 C5_18 1.532(6) . ?
C4_18 H4A_18 0.9900 . ?
C4_18 H4B_18 0.9900 . ?
C5_18 C6_18 1.533(5) . ?
C5_18 H5A_18 0.9900 . ?
C5_18 H5B_18 0.9900 . ?
C6_18 H6A_18 0.9900 . ?
C6_18 H6B_18 0.9900 . ?
C1_19 C6_19 1.533(4) . ?
C1_19 C2_19 1.536(4) . ?
C1_19 H1_19 1.0000 . ?
C2_19 C3_19 1.531(4) . ?
C2_19 H2A_19 0.9900 . ?
C2_19 H2B_19 0.9900 . ?
C3_19 C4_19 1.518(5) . ?
C3_19 H3A_19 0.9900 . ?
C3_19 H3B_19 0.9900 . ?
C4_19 C5_19 1.543(5) . ?
C4_19 H4A_19 0.9900 . ?
C4_19 H4B_19 0.9900 . ?
C5_19 C6_19 1.533(4) . ?
C5_19 H5A_19 0.9900 . ?
C5_19 H5B_19 0.9900 . ?
C6_19 H6A_19 0.9900 . ?
C6_19 H6B_19 0.9900 . ?
C1_20 C2_20 1.394(4) . ?
C1_20 C6_20 1.407(4) . ?
C2_20 C3_20 1.406(4) . ?
C2_20 H2_20 0.9500 . ?
C3_20 C4_20 1.381(6) . ?
C3_20 H3_20 0.9500 . ?
C4_20 C5_20 1.374(7) . ?
C4_20 H4_20 0.9500 . ?
C5_20 C6_20 1.392(5) . ?
C5_20 H5_20 0.9500 . ?
C6_20 H6_20 0.9500 . ?
O1_21 C1_21 1.352(19) . ?
C1_21 C4_21 1.557(18) . ?
C1_21 C3_21 1.557(18) . ?
C1_21 C2_21 1.559(18) . ?
C2_21 F1_21 1.336(19) . ?
C2_21 F2_21 1.336(19) . ?
C2_21 F3_21 1.341(19) . ?
C3_21 F4_21 1.320(19) . ?
C3_21 F5_21 1.322(19) . ?
C3_21 F6_21 1.330(19) . ?
C4_21 F8_21 1.332(19) . ?
C4_21 F9_21 1.337(18) . ?
C4_21 F7_21 1.346(18) . ?
O1_22 C1_22 1.354(19) . ?
C1_22 C4_22 1.549(18) . ?
C1_22 C3_22 1.559(18) . ?
C1_22 C2_22 1.571(18) . ?
C2_22 F2_22 1.291(19) . ?
C2_22 F3_22 1.321(18) . ?
C2_22 F1_22 1.324(19) . ?
C3_22 F4_22 1.318(18) . ?
C3_22 F5_22 1.331(19) . ?
C3_22 F6_22 1.340(19) . ?
C4_22 F8_22 1.314(18) . ?
C4_22 F7_22 1.328(18) . ?
C4_22 F9_22 1.330(18) . ?
O1_23 C1_23 1.351(18) . ?
C1_23 C3_23 1.553(18) . ?
C1_23 C2_23 1.560(17) . ?
C1_23 C4_23 1.560(18) . ?
C2_23 F1_23 1.322(19) . ?
C2_23 F2_23 1.324(18) . ?
C2_23 F3_23 1.341(19) . ?
C3_23 F4_23 1.322(18) . ?
C3_23 F6_23 1.339(19) . ?
C3_23 F5_23 1.349(19) . ?
C4_23 F9_23 1.308(19) . ?
C4_23 F7_23 1.321(19) . ?
C4_23 F8_23 1.329(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ga1 P1 86.07(3) . . ?
P2 Ga1 Ga2 126.55(2) . . ?
P1 Ga1 Ga2 112.48(2) . . ?
P2 Ga1 H1 96(2) . . ?
P1 Ga1 H1 107(2) . . ?
Ga2 Ga1 H1 122(2) . . ?
N1 Ga2 P3 105.23(8) . . ?
N1 Ga2 Ga1 126.03(8) . . ?
P3 Ga2 Ga1 109.33(2) . . ?
N1 Ga2 P4 107.41(8) . . ?
P3 Ga2 P4 84.27(3) . . ?
Ga1 Ga2 P4 116.03(2) . . ?
C1_16 P1 C1 107.36(12) . . ?
C1_16 P1 C1_12 110.99(12) . . ?
C1 P1 C1_12 107.91(12) . . ?
C1_16 P1 Ga1 110.55(9) . . ?
C1 P1 Ga1 103.98(9) . . ?
C1_12 P1 Ga1 115.48(9) . . ?
C2 P2 C1_18 106.02(13) . . ?
C2 P2 C1_19 109.66(13) . . ?
C1_18 P2 C1_19 107.08(13) . . ?
C2 P2 Ga1 102.81(9) . . ?
C1_18 P2 Ga1 105.91(9) . . ?
C1_19 P2 Ga1 124.10(10) . . ?
C3 P3 C1_14 108.44(13) . . ?
C3 P3 C1_13 105.92(13) . . ?
C1_14 P3 C1_13 110.65(12) . . ?
C3 P3 Ga2 103.92(9) . . ?
C1_14 P3 Ga2 121.08(10) . . ?
C1_13 P3 Ga2 105.73(9) . . ?
C1_17 P4 C4 106.90(14) . . ?
C1_17 P4 C1_15 107.15(13) . . ?
C4 P4 C1_15 105.96(13) . . ?
C1_17 P4 Ga2 113.05(10) . . ?
C4 P4 Ga2 105.37(9) . . ?
C1_15 P4 Ga2 117.68(9) . . ?
O1_5 Al1 O1_6 109.9(3) . . ?
O1_9 Al1 O1_11 76.2(2) . . ?
O1_5 Al1 O1_7 96.4(2) . . ?
O1_6 Al1 O1_7 100.5(2) . . ?
O1_9 Al1 O1_10 108.9(4) . . ?
O1_11 Al1 O1_10 122.9(4) . . ?
O1_5 Al1 O1_8 102.28(17) . . ?
O1_6 Al1 O1_8 110.8(2) . . ?
O1_7 Al1 O1_8 134.7(2) . . ?
O1_3 Al2 O1_1 108.33(14) . . ?
O1_3 Al2 O1_4 106.84(12) . . ?
O1_1 Al2 O1_4 113.52(14) . . ?
O1_3 Al2 O1_2 112.57(14) . . ?
O1_1 Al2 O1_2 108.58(14) . . ?
O1_4 Al2 O1_2 107.08(12) . . ?
O1_21 Al2 O1_23 109.3(13) . . ?
O1_21 Al2 O1_22 103.5(14) . . ?
O1_23 Al2 O1_22 97.6(13) . . ?
C1_20 N1 Ga2 130.6(2) . . ?
C1_20 N1 H2 113(3) . . ?
Ga2 N1 H2 117(3) . . ?
C3 C4 P4 114.0(2) . . ?
C3 C4 H4A 108.8 . . ?
P4 C4 H4A 108.8 . . ?
C3 C4 H4B 108.8 . . ?
P4 C4 H4B 108.8 . . ?
H4A C4 H4B 107.6 . . ?
C2 C1 P1 111.38(18) . . ?
C2 C1 H1A 109.4 . . ?
P1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
P1 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C4 C3 P3 111.28(19) . . ?
C4 C3 H3A 109.4 . . ?
P3 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
P3 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C1 C2 P2 110.32(18) . . ?
C1 C2 H2A 109.6 . . ?
P2 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
P2 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C1_1 O1_1 Al2 147.5(3) . . ?
O1_1 C1_1 C3_1 108.8(3) . . ?
O1_1 C1_1 C4_1 108.7(3) . . ?
C3_1 C1_1 C4_1 109.7(3) . . ?
O1_1 C1_1 C2_1 112.1(3) . . ?
C3_1 C1_1 C2_1 108.7(3) . . ?
C4_1 C1_1 C2_1 108.9(3) . . ?
F3_1 C2_1 F2_1 107.8(3) . . ?
F3_1 C2_1 F1_1 107.5(3) . . ?
F2_1 C2_1 F1_1 107.7(3) . . ?
F3_1 C2_1 C1_1 110.0(3) . . ?
F2_1 C2_1 C1_1 112.7(3) . . ?
F1_1 C2_1 C1_1 111.0(3) . . ?
F4_1 C3_1 F5_1 108.6(3) . . ?
F4_1 C3_1 F6_1 107.9(3) . . ?
F5_1 C3_1 F6_1 107.0(3) . . ?
F4_1 C3_1 C1_1 110.9(3) . . ?
F5_1 C3_1 C1_1 110.4(3) . . ?
F6_1 C3_1 C1_1 112.0(3) . . ?
F7_1 C4_1 F9_1 108.1(4) . . ?
F7_1 C4_1 F8_1 107.8(3) . . ?
F9_1 C4_1 F8_1 107.5(4) . . ?
F7_1 C4_1 C1_1 111.1(3) . . ?
F9_1 C4_1 C1_1 110.5(3) . . ?
F8_1 C4_1 C1_1 111.7(3) . . ?
C1_2 O1_2 Al2 151.3(2) . . ?
O1_2 C1_2 C2_2 109.5(3) . . ?
O1_2 C1_2 C3_2 107.6(3) . . ?
C2_2 C1_2 C3_2 109.4(3) . . ?
O1_2 C1_2 C4_2 112.0(3) . . ?
C2_2 C1_2 C4_2 109.2(3) . . ?
C3_2 C1_2 C4_2 109.1(3) . . ?
F3_2 C2_2 F1_2 107.4(3) . . ?
F3_2 C2_2 F2_2 107.7(3) . . ?
F1_2 C2_2 F2_2 107.6(3) . . ?
F3_2 C2_2 C1_2 111.4(3) . . ?
F1_2 C2_2 C1_2 110.2(3) . . ?
F2_2 C2_2 C1_2 112.4(3) . . ?
F5_2 C3_2 F6_2 106.8(3) . . ?
F5_2 C3_2 F4_2 107.0(4) . . ?
F6_2 C3_2 F4_2 107.5(3) . . ?
F5_2 C3_2 C1_2 111.2(3) . . ?
F6_2 C3_2 C1_2 113.1(4) . . ?
F4_2 C3_2 C1_2 111.0(3) . . ?
F7_2 C4_2 F8_2 108.0(3) . . ?
F7_2 C4_2 F9_2 107.0(3) . . ?
F8_2 C4_2 F9_2 107.9(3) . . ?
F7_2 C4_2 C1_2 110.8(3) . . ?
F8_2 C4_2 C1_2 112.4(3) . . ?
F9_2 C4_2 C1_2 110.5(3) . . ?
C1_3 O1_3 Al2 146.5(3) . . ?
O1_3 C1_3 C4_3 111.3(3) . . ?
O1_3 C1_3 C3_3 111.2(3) . . ?
C4_3 C1_3 C3_3 108.2(3) . . ?
O1_3 C1_3 C2_3 107.9(3) . . ?
C4_3 C1_3 C2_3 110.4(3) . . ?
C3_3 C1_3 C2_3 107.8(3) . . ?
F1_3 C2_3 F3_3 108.1(4) . . ?
F1_3 C2_3 F2_3 107.5(4) . . ?
F3_3 C2_3 F2_3 107.9(4) . . ?
F1_3 C2_3 C1_3 110.6(4) . . ?
F3_3 C2_3 C1_3 110.5(3) . . ?
F2_3 C2_3 C1_3 112.1(4) . . ?
F4_3 C3_3 F6_3 108.3(3) . . ?
F4_3 C3_3 F5_3 106.5(3) . . ?
F6_3 C3_3 F5_3 107.5(3) . . ?
F4_3 C3_3 C1_3 110.7(3) . . ?
F6_3 C3_3 C1_3 113.2(3) . . ?
F5_3 C3_3 C1_3 110.4(3) . . ?
F9_3 C4_3 F8_3 107.7(4) . . ?
F9_3 C4_3 F7_3 107.7(4) . . ?
F8_3 C4_3 F7_3 108.0(4) . . ?
F9_3 C4_3 C1_3 109.8(3) . . ?
F8_3 C4_3 C1_3 112.0(4) . . ?
F7_3 C4_3 C1_3 111.5(3) . . ?
C1_4 O1_4 Al2 146.8(2) . . ?
O1_4 C1_4 C3_4 109.4(2) . . ?
O1_4 C1_4 C4_4 111.6(3) . . ?
C3_4 C1_4 C4_4 109.2(3) . . ?
O1_4 C1_4 C2_4 109.8(3) . . ?
C3_4 C1_4 C2_4 108.3(3) . . ?
C4_4 C1_4 C2_4 108.4(3) . . ?
F3_4 C2_4 F1_4 107.9(3) . . ?
F3_4 C2_4 F2_4 108.2(3) . . ?
F1_4 C2_4 F2_4 107.2(3) . . ?
F3_4 C2_4 C1_4 110.9(3) . . ?
F1_4 C2_4 C1_4 109.9(3) . . ?
F2_4 C2_4 C1_4 112.7(3) . . ?
F5_4 C3_4 F6_4 107.3(3) . . ?
F5_4 C3_4 F4_4 107.9(3) . . ?
F6_4 C3_4 F4_4 107.4(3) . . ?
F5_4 C3_4 C1_4 110.3(3) . . ?
F6_4 C3_4 C1_4 112.9(3) . . ?
F4_4 C3_4 C1_4 110.9(3) . . ?
F9_4 C4_4 F7_4 107.7(3) . . ?
F9_4 C4_4 F8_4 107.1(3) . . ?
F7_4 C4_4 F8_4 108.1(3) . . ?
F9_4 C4_4 C1_4 111.6(3) . . ?
F7_4 C4_4 C1_4 110.0(3) . . ?
F8_4 C4_4 C1_4 112.1(3) . . ?
C1_5 O1_5 Al1 148.7(2) . . ?
O1_5 C1_5 C2_5 109.4(3) . . ?
O1_5 C1_5 C3_5 107.9(2) . . ?
C2_5 C1_5 C3_5 109.2(3) . . ?
O1_5 C1_5 C4_5 111.5(2) . . ?
C2_5 C1_5 C4_5 109.6(3) . . ?
C3_5 C1_5 C4_5 109.3(2) . . ?
F3_5 C2_5 F2_5 107.8(4) . . ?
F3_5 C2_5 F1_5 108.3(3) . . ?
F2_5 C2_5 F1_5 107.3(3) . . ?
F3_5 C2_5 C1_5 111.6(3) . . ?
F2_5 C2_5 C1_5 111.8(3) . . ?
F1_5 C2_5 C1_5 109.8(3) . . ?
F4_5 C3_5 F5_5 107.1(3) . . ?
F4_5 C3_5 F6_5 107.3(3) . . ?
F5_5 C3_5 F6_5 108.2(3) . . ?
F4_5 C3_5 C1_5 111.3(3) . . ?
F5_5 C3_5 C1_5 110.8(3) . . ?
F6_5 C3_5 C1_5 112.0(3) . . ?
F9_5 C4_5 F7_5 106.9(3) . . ?
F9_5 C4_5 F8_5 107.3(2) . . ?
F7_5 C4_5 F8_5 107.1(2) . . ?
F9_5 C4_5 C1_5 110.8(2) . . ?
F7_5 C4_5 C1_5 111.2(2) . . ?
F8_5 C4_5 C1_5 113.1(3) . . ?
C1_6 O1_6 Al1 144.9(6) . . ?
O1_6 C1_6 C2_6 111.2(6) . . ?
O1_6 C1_6 C4_6 110.9(7) . . ?
C2_6 C1_6 C4_6 109.7(6) . . ?
O1_6 C1_6 C3_6 107.2(6) . . ?
C2_6 C1_6 C3_6 108.9(6) . . ?
C4_6 C1_6 C3_6 109.0(6) . . ?
F2_6 C2_6 F1_6 109.0(5) . . ?
F2_6 C2_6 F3_6 107.6(5) . . ?
F1_6 C2_6 F3_6 107.1(6) . . ?
F2_6 C2_6 C1_6 112.1(6) . . ?
F1_6 C2_6 C1_6 109.7(5) . . ?
F3_6 C2_6 C1_6 111.2(6) . . ?
F4_6 C3_6 F5_6 108.0(6) . . ?
F4_6 C3_6 F6_6 106.6(6) . . ?
F5_6 C3_6 F6_6 107.6(6) . . ?
F4_6 C3_6 C1_6 110.9(5) . . ?
F5_6 C3_6 C1_6 111.1(5) . . ?
F6_6 C3_6 C1_6 112.4(6) . . ?
F7_6 C4_6 F9_6 108.5(9) . . ?
F7_6 C4_6 F8_6 107.8(6) . . ?
F9_6 C4_6 F8_6 107.0(10) . . ?
F7_6 C4_6 C1_6 110.4(5) . . ?
F9_6 C4_6 C1_6 111.2(7) . . ?
F8_6 C4_6 C1_6 111.9(5) . . ?
C1_7 O1_7 Al1 145.7(5) . . ?
O1_7 C1_7 C4_7 111.3(6) . . ?
O1_7 C1_7 C3_7 107.0(6) . . ?
C4_7 C1_7 C3_7 109.4(6) . . ?
O1_7 C1_7 C2_7 117.9(7) . . ?
C4_7 C1_7 C2_7 94.3(7) . . ?
C3_7 C1_7 C2_7 116.1(7) . . ?
F1_7 C2_7 F2_7 109.7(9) . . ?
F1_7 C2_7 F3_7 104.0(8) . . ?
F2_7 C2_7 F3_7 104.7(10) . . ?
F1_7 C2_7 C1_7 125.3(8) . . ?
F2_7 C2_7 C1_7 112.2(10) . . ?
F3_7 C2_7 C1_7 97.7(8) . . ?
F6_7 C3_7 F4_7 109.1(7) . . ?
F6_7 C3_7 F5_7 108.0(7) . . ?
F4_7 C3_7 F5_7 107.4(7) . . ?
F6_7 C3_7 C1_7 112.5(7) . . ?
F4_7 C3_7 C1_7 109.5(6) . . ?
F5_7 C3_7 C1_7 110.2(6) . . ?
F7_7 C4_7 F9_7 109.0(7) . . ?
F7_7 C4_7 F8_7 107.1(9) . . ?
F9_7 C4_7 F8_7 106.6(7) . . ?
F7_7 C4_7 C1_7 111.8(6) . . ?
F9_7 C4_7 C1_7 110.4(7) . . ?
F8_7 C4_7 C1_7 111.7(8) . . ?
C1_8 O1_8 Al1 145.5(5) . . ?
O1_8 C1_8 C4_8 94.8(6) . . ?
O1_8 C1_8 C3_8 109.2(6) . . ?
C4_8 C1_8 C3_8 113.4(6) . . ?
O1_8 C1_8 C2_8 120.3(6) . . ?
C4_8 C1_8 C2_8 109.6(6) . . ?
C3_8 C1_8 C2_8 109.0(6) . . ?
F2_8 C2_8 F3_8 105.5(6) . . ?
F2_8 C2_8 F1_8 111.3(6) . . ?
F3_8 C2_8 F1_8 108.7(5) . . ?
F2_8 C2_8 C1_8 112.2(6) . . ?
F3_8 C2_8 C1_8 113.7(5) . . ?
F1_8 C2_8 C1_8 105.6(5) . . ?
F4_8 C3_8 F6_8 108.8(8) . . ?
F4_8 C3_8 F5_8 107.3(6) . . ?
F6_8 C3_8 F5_8 102.2(8) . . ?
F4_8 C3_8 C1_8 111.6(6) . . ?
F6_8 C3_8 C1_8 112.5(8) . . ?
F5_8 C3_8 C1_8 113.8(6) . . ?
F9_8 C4_8 F7_8 102.9(5) . . ?
F9_8 C4_8 C1_8 112.3(6) . . ?
F7_8 C4_8 C1_8 126.8(7) . . ?
F9_8 C4_8 F8_8 113.1(7) . . ?
F7_8 C4_8 F8_8 94.2(5) . . ?
C1_8 C4_8 F8_8 106.3(5) . . ?
C1_9 O1_9 Al1 139.2(7) . . ?
O1_9 C1_9 C2_9 104.6(9) . . ?
O1_9 C1_9 C3_9 97.2(9) . . ?
C2_9 C1_9 C3_9 109.5(11) . . ?
O1_9 C1_9 C4_9 135.4(12) . . ?
C2_9 C1_9 C4_9 108.2(10) . . ?
C3_9 C1_9 C4_9 99.4(10) . . ?
F2_9 C2_9 F1_9 109.1(11) . . ?
F2_9 C2_9 F3_9 98.0(10) . . ?
F1_9 C2_9 F3_9 111.8(11) . . ?
F2_9 C2_9 C1_9 111.8(12) . . ?
F1_9 C2_9 C1_9 108.7(10) . . ?
F3_9 C2_9 C1_9 116.8(10) . . ?
F4_9 C3_9 F6_9 113.3(17) . . ?
F4_9 C3_9 F5_9 110.7(10) . . ?
F6_9 C3_9 F5_9 111.7(16) . . ?
F4_9 C3_9 C1_9 106.7(10) . . ?
F6_9 C3_9 C1_9 112.4(17) . . ?
F5_9 C3_9 C1_9 101.3(9) . . ?
F8_9 C4_9 F7_9 119.7(11) . . ?
F8_9 C4_9 F9_9 112.6(11) . . ?
F7_9 C4_9 F9_9 109.9(10) . . ?
F8_9 C4_9 C1_9 106.0(10) . . ?
F7_9 C4_9 C1_9 116.6(11) . . ?
F9_9 C4_9 C1_9 87.6(8) . . ?
C1_10 O1_10 Al1 146.0(10) . . ?
O1_10 C1_10 C3_10 110.9(10) . . ?
O1_10 C1_10 C4_10 106.7(10) . . ?
C3_10 C1_10 C4_10 109.6(9) . . ?
O1_10 C1_10 C2_10 111.3(10) . . ?
C3_10 C1_10 C2_10 109.4(9) . . ?
C4_10 C1_10 C2_10 108.9(9) . . ?
F2_10 C2_10 F3_10 108.5(8) . . ?
F2_10 C2_10 F1_10 109.3(8) . . ?
F3_10 C2_10 F1_10 108.3(8) . . ?
F2_10 C2_10 C1_10 112.2(8) . . ?
F3_10 C2_10 C1_10 108.3(9) . . ?
F1_10 C2_10 C1_10 110.1(9) . . ?
F5_10 C3_10 F4_10 107.2(12) . . ?
F5_10 C3_10 F6_10 108.0(15) . . ?
F4_10 C3_10 F6_10 106.8(8) . . ?
F5_10 C3_10 C1_10 111.3(12) . . ?
F4_10 C3_10 C1_10 111.0(9) . . ?
F6_10 C3_10 C1_10 112.3(8) . . ?
F9_10 C4_10 F8_10 107.8(10) . . ?
F9_10 C4_10 F7_10 106.9(10) . . ?
F8_10 C4_10 F7_10 107.1(8) . . ?
F9_10 C4_10 C1_10 110.8(9) . . ?
F8_10 C4_10 C1_10 113.1(9) . . ?
F7_10 C4_10 C1_10 110.9(9) . . ?
C1_11 O1_11 Al1 149.7(4) . . ?
O1_11 C1_11 C4_11 112.4(6) . . ?
O1_11 C1_11 C2_11 109.5(6) . . ?
C4_11 C1_11 C2_11 112.0(6) . . ?
O1_11 C1_11 C3_11 103.8(6) . . ?
C4_11 C1_11 C3_11 98.1(6) . . ?
C2_11 C1_11 C3_11 120.5(7) . . ?
F1_11 C2_11 F3_11 104.0(8) . . ?
F1_11 C2_11 F2_11 108.4(9) . . ?
F3_11 C2_11 F2_11 110.4(9) . . ?
F1_11 C2_11 C1_11 110.3(7) . . ?
F3_11 C2_11 C1_11 112.5(7) . . ?
F2_11 C2_11 C1_11 110.9(8) . . ?
F5_11 C3_11 F6_11 108.5(9) . . ?
F5_11 C3_11 F4_11 107.9(7) . . ?
F6_11 C3_11 F4_11 109.1(9) . . ?
F5_11 C3_11 C1_11 102.8(7) . . ?
F6_11 C3_11 C1_11 105.8(9) . . ?
F4_11 C3_11 C1_11 122.0(8) . . ?
F7_11 C4_11 F8_11 110.1(8) . . ?
F7_11 C4_11 F9_11 107.0(8) . . ?
F8_11 C4_11 F9_11 107.2(7) . . ?
F7_11 C4_11 C1_11 112.6(7) . . ?
F8_11 C4_11 C1_11 113.4(7) . . ?
F9_11 C4_11 C1_11 106.1(7) . . ?
C6_12 C1_12 C2_12 110.8(2) . . ?
C6_12 C1_12 P1 114.70(19) . . ?
C2_12 C1_12 P1 110.11(18) . . ?
C6_12 C1_12 H1_12 106.9 . . ?
C2_12 C1_12 H1_12 106.9 . . ?
P1 C1_12 H1_12 106.9 . . ?
C3_12 C2_12 C1_12 110.8(2) . . ?
C3_12 C2_12 H2A_12 109.5 . . ?
C1_12 C2_12 H2A_12 109.5 . . ?
C3_12 C2_12 H2B_12 109.5 . . ?
C1_12 C2_12 H2B_12 109.5 . . ?
H2A_12 C2_12 H2B_12 108.1 . . ?
C4_12 C3_12 C2_12 110.9(3) . . ?
C4_12 C3_12 H3A_12 109.5 . . ?
C2_12 C3_12 H3A_12 109.5 . . ?
C4_12 C3_12 H3B_12 109.5 . . ?
C2_12 C3_12 H3B_12 109.5 . . ?
H3A_12 C3_12 H3B_12 108.1 . . ?
C5_12 C4_12 C3_12 110.5(3) . . ?
C5_12 C4_12 H4A_12 109.5 . . ?
C3_12 C4_12 H4A_12 109.5 . . ?
C5_12 C4_12 H4B_12 109.5 . . ?
C3_12 C4_12 H4B_12 109.5 . . ?
H4A_12 C4_12 H4B_12 108.1 . . ?
C4_12 C5_12 C6_12 111.9(3) . . ?
C4_12 C5_12 H5A_12 109.2 . . ?
C6_12 C5_12 H5A_12 109.2 . . ?
C4_12 C5_12 H5B_12 109.2 . . ?
C6_12 C5_12 H5B_12 109.2 . . ?
H5A_12 C5_12 H5B_12 107.9 . . ?
C1_12 C6_12 C5_12 110.3(3) . . ?
C1_12 C6_12 H6A_12 109.6 . . ?
C5_12 C6_12 H6A_12 109.6 . . ?
C1_12 C6_12 H6B_12 109.6 . . ?
C5_12 C6_12 H6B_12 109.6 . . ?
H6A_12 C6_12 H6B_12 108.1 . . ?
C6_13 C1_13 C2_13 110.7(2) . . ?
C6_13 C1_13 P3 116.71(18) . . ?
C2_13 C1_13 P3 111.63(19) . . ?
C6_13 C1_13 H1_13 105.6 . . ?
C2_13 C1_13 H1_13 105.6 . . ?
P3 C1_13 H1_13 105.6 . . ?
C3_13 C2_13 C1_13 110.0(2) . . ?
C3_13 C2_13 H2A_13 109.7 . . ?
C1_13 C2_13 H2A_13 109.7 . . ?
C3_13 C2_13 H2B_13 109.7 . . ?
C1_13 C2_13 H2B_13 109.7 . . ?
H2A_13 C2_13 H2B_13 108.2 . . ?
C4_13 C3_13 C2_13 111.8(2) . . ?
C4_13 C3_13 H3A_13 109.3 . . ?
C2_13 C3_13 H3A_13 109.3 . . ?
C4_13 C3_13 H3B_13 109.3 . . ?
C2_13 C3_13 H3B_13 109.3 . . ?
H3A_13 C3_13 H3B_13 107.9 . . ?
C5_13 C4_13 C3_13 111.8(2) . . ?
C5_13 C4_13 H4A_13 109.2 . . ?
C3_13 C4_13 H4A_13 109.2 . . ?
C5_13 C4_13 H4B_13 109.2 . . ?
C3_13 C4_13 H4B_13 109.2 . . ?
H4A_13 C4_13 H4B_13 107.9 . . ?
C4_13 C5_13 C6_13 111.1(2) . . ?
C4_13 C5_13 H5A_13 109.4 . . ?
C6_13 C5_13 H5A_13 109.4 . . ?
C4_13 C5_13 H5B_13 109.4 . . ?
C6_13 C5_13 H5B_13 109.4 . . ?
H5A_13 C5_13 H5B_13 108.0 . . ?
C5_13 C6_13 C1_13 109.1(2) . . ?
C5_13 C6_13 H6A_13 109.9 . . ?
C1_13 C6_13 H6A_13 109.9 . . ?
C5_13 C6_13 H6B_13 109.9 . . ?
C1_13 C6_13 H6B_13 109.9 . . ?
H6A_13 C6_13 H6B_13 108.3 . . ?
C6_14 C1_14 C2_14 111.3(2) . . ?
C6_14 C1_14 P3 113.8(2) . . ?
C2_14 C1_14 P3 111.58(19) . . ?
C6_14 C1_14 H1_14 106.5 . . ?
C2_14 C1_14 H1_14 106.5 . . ?
P3 C1_14 H1_14 106.5 . . ?
C3_14 C2_14 C1_14 110.9(2) . . ?
C3_14 C2_14 H2A_14 109.5 . . ?
C1_14 C2_14 H2A_14 109.5 . . ?
C3_14 C2_14 H2B_14 109.5 . . ?
C1_14 C2_14 H2B_14 109.5 . . ?
H2A_14 C2_14 H2B_14 108.0 . . ?
C4_14 C3_14 C2_14 112.1(3) . . ?
C4_14 C3_14 H3A_14 109.2 . . ?
C2_14 C3_14 H3A_14 109.2 . . ?
C4_14 C3_14 H3B_14 109.2 . . ?
C2_14 C3_14 H3B_14 109.2 . . ?
H3A_14 C3_14 H3B_14 107.9 . . ?
C3_14 C4_14 C5_14 110.4(3) . . ?
C3_14 C4_14 H4A_14 109.6 . . ?
C5_14 C4_14 H4A_14 109.6 . . ?
C3_14 C4_14 H4B_14 109.6 . . ?
C5_14 C4_14 H4B_14 109.6 . . ?
H4A_14 C4_14 H4B_14 108.1 . . ?
C4_14 C5_14 C6_14 111.5(3) . . ?
C4_14 C5_14 H5A_14 109.3 . . ?
C6_14 C5_14 H5A_14 109.3 . . ?
C4_14 C5_14 H5B_14 109.3 . . ?
C6_14 C5_14 H5B_14 109.3 . . ?
H5A_14 C5_14 H5B_14 108.0 . . ?
C5_14 C6_14 C1_14 109.7(3) . . ?
C5_14 C6_14 H6A_14 109.7 . . ?
C1_14 C6_14 H6A_14 109.7 . . ?
C5_14 C6_14 H6B_14 109.7 . . ?
C1_14 C6_14 H6B_14 109.7 . . ?
H6A_14 C6_14 H6B_14 108.2 . . ?
C2_15 C1_15 C6_15 110.6(2) . . ?
C2_15 C1_15 P4 111.81(19) . . ?
C6_15 C1_15 P4 112.8(2) . . ?
C2_15 C1_15 H1_15 107.1 . . ?
C6_15 C1_15 H1_15 107.1 . . ?
P4 C1_15 H1_15 107.1 . . ?
C3_15 C2_15 C1_15 111.2(2) . . ?
C3_15 C2_15 H2A_15 109.4 . . ?
C1_15 C2_15 H2A_15 109.4 . . ?
C3_15 C2_15 H2B_15 109.4 . . ?
C1_15 C2_15 H2B_15 109.4 . . ?
H2A_15 C2_15 H2B_15 108.0 . . ?
C4_15 C3_15 C2_15 110.6(3) . . ?
C4_15 C3_15 H3A_15 109.5 . . ?
C2_15 C3_15 H3A_15 109.5 . . ?
C4_15 C3_15 H3B_15 109.5 . . ?
C2_15 C3_15 H3B_15 109.5 . . ?
H3A_15 C3_15 H3B_15 108.1 . . ?
C3_15 C4_15 C5_15 110.4(3) . . ?
C3_15 C4_15 H4A_15 109.6 . . ?
C5_15 C4_15 H4A_15 109.6 . . ?
C3_15 C4_15 H4B_15 109.6 . . ?
C5_15 C4_15 H4B_15 109.6 . . ?
H4A_15 C4_15 H4B_15 108.1 . . ?
C4_15 C5_15 C6_15 111.1(2) . . ?
C4_15 C5_15 H5A_15 109.4 . . ?
C6_15 C5_15 H5A_15 109.4 . . ?
C4_15 C5_15 H5B_15 109.4 . . ?
C6_15 C5_15 H5B_15 109.4 . . ?
H5A_15 C5_15 H5B_15 108.0 . . ?
C5_15 C6_15 C1_15 110.7(2) . . ?
C5_15 C6_15 H6A_15 109.5 . . ?
C1_15 C6_15 H6A_15 109.5 . . ?
C5_15 C6_15 H6B_15 109.5 . . ?
C1_15 C6_15 H6B_15 109.5 . . ?
H6A_15 C6_15 H6B_15 108.1 . . ?
C2_16 C1_16 C6_16 111.8(2) . . ?
C2_16 C1_16 P1 110.23(19) . . ?
C6_16 C1_16 P1 115.61(19) . . ?
C2_16 C1_16 H1_16 106.2 . . ?
C6_16 C1_16 H1_16 106.2 . . ?
P1 C1_16 H1_16 106.2 . . ?
C3_16 C2_16 C1_16 110.6(3) . . ?
C3_16 C2_16 H2A_16 109.5 . . ?
C1_16 C2_16 H2A_16 109.5 . . ?
C3_16 C2_16 H2B_16 109.5 . . ?
C1_16 C2_16 H2B_16 109.5 . . ?
H2A_16 C2_16 H2B_16 108.1 . . ?
C4_16 C3_16 C2_16 111.2(3) . . ?
C4_16 C3_16 H3A_16 109.4 . . ?
C2_16 C3_16 H3A_16 109.4 . . ?
C4_16 C3_16 H3B_16 109.4 . . ?
C2_16 C3_16 H3B_16 109.4 . . ?
H3A_16 C3_16 H3B_16 108.0 . . ?
C3_16 C4_16 C5_16 111.1(3) . . ?
C3_16 C4_16 H4A_16 109.4 . . ?
C5_16 C4_16 H4A_16 109.4 . . ?
C3_16 C4_16 H4B_16 109.4 . . ?
C5_16 C4_16 H4B_16 109.4 . . ?
H4A_16 C4_16 H4B_16 108.0 . . ?
C4_16 C5_16 C6_16 111.3(3) . . ?
C4_16 C5_16 H5A_16 109.4 . . ?
C6_16 C5_16 H5A_16 109.4 . . ?
C4_16 C5_16 H5B_16 109.4 . . ?
C6_16 C5_16 H5B_16 109.4 . . ?
H5A_16 C5_16 H5B_16 108.0 . . ?
C5_16 C6_16 C1_16 109.8(3) . . ?
C5_16 C6_16 H6A_16 109.7 . . ?
C1_16 C6_16 H6A_16 109.7 . . ?
C5_16 C6_16 H6B_16 109.7 . . ?
C1_16 C6_16 H6B_16 109.7 . . ?
H6A_16 C6_16 H6B_16 108.2 . . ?
C2_17 C1_17 C6_17 112.1(3) . . ?
C2_17 C1_17 P4 111.4(2) . . ?
C6_17 C1_17 P4 109.7(2) . . ?
C2_17 C1_17 H1_17 107.9 . . ?
C6_17 C1_17 H1_17 107.9 . . ?
P4 C1_17 H1_17 107.9 . . ?
C3_17 C2_17 C1_17 111.4(3) . . ?
C3_17 C2_17 H2A_17 109.4 . . ?
C1_17 C2_17 H2A_17 109.4 . . ?
C3_17 C2_17 H2B_17 109.4 . . ?
C1_17 C2_17 H2B_17 109.4 . . ?
H2A_17 C2_17 H2B_17 108.0 . . ?
C4_17 C3_17 C2_17 110.8(3) . . ?
C4_17 C3_17 H3A_17 109.5 . . ?
C2_17 C3_17 H3A_17 109.5 . . ?
C4_17 C3_17 H3B_17 109.5 . . ?
C2_17 C3_17 H3B_17 109.5 . . ?
H3A_17 C3_17 H3B_17 108.1 . . ?
C5_17 C4_17 C3_17 111.8(4) . . ?
C5_17 C4_17 H4A_17 109.3 . . ?
C3_17 C4_17 H4A_17 109.3 . . ?
C5_17 C4_17 H4B_17 109.3 . . ?
C3_17 C4_17 H4B_17 109.3 . . ?
H4A_17 C4_17 H4B_17 107.9 . . ?
C4_17 C5_17 C6_17 111.5(3) . . ?
C4_17 C5_17 H5A_17 109.3 . . ?
C6_17 C5_17 H5A_17 109.3 . . ?
C4_17 C5_17 H5B_17 109.3 . . ?
C6_17 C5_17 H5B_17 109.3 . . ?
H5A_17 C5_17 H5B_17 108.0 . . ?
C5_17 C6_17 C1_17 111.1(4) . . ?
C5_17 C6_17 H6A_17 109.4 . . ?
C1_17 C6_17 H6A_17 109.4 . . ?
C5_17 C6_17 H6B_17 109.4 . . ?
C1_17 C6_17 H6B_17 109.4 . . ?
H6A_17 C6_17 H6B_17 108.0 . . ?
C2_18 C1_18 C6_18 110.8(2) . . ?
C2_18 C1_18 P2 111.2(2) . . ?
C6_18 C1_18 P2 114.8(2) . . ?
C2_18 C1_18 H1_18 106.5 . . ?
C6_18 C1_18 H1_18 106.5 . . ?
P2 C1_18 H1_18 106.5 . . ?
C3_18 C2_18 C1_18 109.9(3) . . ?
C3_18 C2_18 H2A_18 109.7 . . ?
C1_18 C2_18 H2A_18 109.7 . . ?
C3_18 C2_18 H2B_18 109.7 . . ?
C1_18 C2_18 H2B_18 109.7 . . ?
H2A_18 C2_18 H2B_18 108.2 . . ?
C4_18 C3_18 C2_18 111.4(3) . . ?
C4_18 C3_18 H3A_18 109.3 . . ?
C2_18 C3_18 H3A_18 109.3 . . ?
C4_18 C3_18 H3B_18 109.3 . . ?
C2_18 C3_18 H3B_18 109.3 . . ?
H3A_18 C3_18 H3B_18 108.0 . . ?
C3_18 C4_18 C5_18 110.9(3) . . ?
C3_18 C4_18 H4A_18 109.5 . . ?
C5_18 C4_18 H4A_18 109.5 . . ?
C3_18 C4_18 H4B_18 109.5 . . ?
C5_18 C4_18 H4B_18 109.5 . . ?
H4A_18 C4_18 H4B_18 108.1 . . ?
C4_18 C5_18 C6_18 111.1(3) . . ?
C4_18 C5_18 H5A_18 109.4 . . ?
C6_18 C5_18 H5A_18 109.4 . . ?
C4_18 C5_18 H5B_18 109.4 . . ?
C6_18 C5_18 H5B_18 109.4 . . ?
H5A_18 C5_18 H5B_18 108.0 . . ?
C5_18 C6_18 C1_18 110.1(3) . . ?
C5_18 C6_18 H6A_18 109.6 . . ?
C1_18 C6_18 H6A_18 109.6 . . ?
C5_18 C6_18 H6B_18 109.6 . . ?
C1_18 C6_18 H6B_18 109.6 . . ?
H6A_18 C6_18 H6B_18 108.2 . . ?
C6_19 C1_19 C2_19 110.7(2) . . ?
C6_19 C1_19 P2 114.6(2) . . ?
C2_19 C1_19 P2 109.96(18) . . ?
C6_19 C1_19 H1_19 107.0 . . ?
C2_19 C1_19 H1_19 107.0 . . ?
P2 C1_19 H1_19 107.0 . . ?
C3_19 C2_19 C1_19 111.3(2) . . ?
C3_19 C2_19 H2A_19 109.4 . . ?
C1_19 C2_19 H2A_19 109.4 . . ?
C3_19 C2_19 H2B_19 109.4 . . ?
C1_19 C2_19 H2B_19 109.4 . . ?
H2A_19 C2_19 H2B_19 108.0 . . ?
C4_19 C3_19 C2_19 110.9(3) . . ?
C4_19 C3_19 H3A_19 109.5 . . ?
C2_19 C3_19 H3A_19 109.5 . . ?
C4_19 C3_19 H3B_19 109.5 . . ?
C2_19 C3_19 H3B_19 109.5 . . ?
H3A_19 C3_19 H3B_19 108.1 . . ?
C3_19 C4_19 C5_19 110.4(3) . . ?
C3_19 C4_19 H4A_19 109.6 . . ?
C5_19 C4_19 H4A_19 109.6 . . ?
C3_19 C4_19 H4B_19 109.6 . . ?
C5_19 C4_19 H4B_19 109.6 . . ?
H4A_19 C4_19 H4B_19 108.1 . . ?
C6_19 C5_19 C4_19 111.0(3) . . ?
C6_19 C5_19 H5A_19 109.4 . . ?
C4_19 C5_19 H5A_19 109.4 . . ?
C6_19 C5_19 H5B_19 109.4 . . ?
C4_19 C5_19 H5B_19 109.4 . . ?
H5A_19 C5_19 H5B_19 108.0 . . ?
C1_19 C6_19 C5_19 110.1(3) . . ?
C1_19 C6_19 H6A_19 109.6 . . ?
C5_19 C6_19 H6A_19 109.6 . . ?
C1_19 C6_19 H6B_19 109.6 . . ?
C5_19 C6_19 H6B_19 109.6 . . ?
H6A_19 C6_19 H6B_19 108.2 . . ?
C2_20 C1_20 N1 121.8(3) . . ?
C2_20 C1_20 C6_20 118.0(3) . . ?
N1 C1_20 C6_20 120.3(3) . . ?
C1_20 C2_20 C3_20 120.2(3) . . ?
C1_20 C2_20 H2_20 119.9 . . ?
C3_20 C2_20 H2_20 119.9 . . ?
C4_20 C3_20 C2_20 121.0(4) . . ?
C4_20 C3_20 H3_20 119.5 . . ?
C2_20 C3_20 H3_20 119.5 . . ?
C5_20 C4_20 C3_20 119.1(4) . . ?
C5_20 C4_20 H4_20 120.5 . . ?
C3_20 C4_20 H4_20 120.5 . . ?
C4_20 C5_20 C6_20 121.0(4) . . ?
C4_20 C5_20 H5_20 119.5 . . ?
C6_20 C5_20 H5_20 119.5 . . ?
C5_20 C6_20 C1_20 120.7(3) . . ?
C5_20 C6_20 H6_20 119.7 . . ?
C1_20 C6_20 H6_20 119.7 . . ?
C1_21 O1_21 Al2 150(2) . . ?
O1_21 C1_21 C4_21 109.4(18) . . ?
O1_21 C1_21 C3_21 107.8(19) . . ?
C4_21 C1_21 C3_21 112.8(16) . . ?
O1_21 C1_21 C2_21 109.6(19) . . ?
C4_21 C1_21 C2_21 108.3(15) . . ?
C3_21 C1_21 C2_21 108.9(16) . . ?
F1_21 C2_21 F2_21 105(2) . . ?
F1_21 C2_21 F3_21 111(2) . . ?
F2_21 C2_21 F3_21 111(2) . . ?
F1_21 C2_21 C1_21 112.9(19) . . ?
F2_21 C2_21 C1_21 107(2) . . ?
F3_21 C2_21 C1_21 109.5(18) . . ?
F4_21 C3_21 F5_21 108(2) . . ?
F4_21 C3_21 F6_21 110(2) . . ?
F5_21 C3_21 F6_21 110(2) . . ?
F4_21 C3_21 C1_21 109.5(19) . . ?
F5_21 C3_21 C1_21 110.5(19) . . ?
F6_21 C3_21 C1_21 108(2) . . ?
F8_21 C4_21 F9_21 111(2) . . ?
F8_21 C4_21 F7_21 107(2) . . ?
F9_21 C4_21 F7_21 108(2) . . ?
F8_21 C4_21 C1_21 111.0(18) . . ?
F9_21 C4_21 C1_21 109.4(17) . . ?
F7_21 C4_21 C1_21 109.9(16) . . ?
C1_22 O1_22 Al2 156(2) . . ?
O1_22 C1_22 C4_22 112.8(18) . . ?
O1_22 C1_22 C3_22 111.3(18) . . ?
C4_22 C1_22 C3_22 108.2(15) . . ?
O1_22 C1_22 C2_22 110.8(18) . . ?
C4_22 C1_22 C2_22 107.2(15) . . ?
C3_22 C1_22 C2_22 106.3(15) . . ?
F2_22 C2_22 F3_22 108(2) . . ?
F2_22 C2_22 F1_22 106(2) . . ?
F3_22 C2_22 F1_22 111(2) . . ?
F2_22 C2_22 C1_22 109.1(17) . . ?
F3_22 C2_22 C1_22 113.3(17) . . ?
F1_22 C2_22 C1_22 108.1(18) . . ?
F4_22 C3_22 F5_22 117(2) . . ?
F4_22 C3_22 F6_22 109(2) . . ?
F5_22 C3_22 F6_22 103(2) . . ?
F4_22 C3_22 C1_22 112.6(17) . . ?
F5_22 C3_22 C1_22 104.0(18) . . ?
F6_22 C3_22 C1_22 111(2) . . ?
F8_22 C4_22 F7_22 112(2) . . ?
F8_22 C4_22 F9_22 109(2) . . ?
F7_22 C4_22 F9_22 108(2) . . ?
F8_22 C4_22 C1_22 108.0(18) . . ?
F7_22 C4_22 C1_22 110.3(17) . . ?
F9_22 C4_22 C1_22 109.6(17) . . ?
C1_23 O1_23 Al2 145(2) . . ?
O1_23 C1_23 C3_23 109.2(18) . . ?
O1_23 C1_23 C2_23 107.0(17) . . ?
C3_23 C1_23 C2_23 110.7(15) . . ?
O1_23 C1_23 C4_23 109.2(17) . . ?
C3_23 C1_23 C4_23 110.8(15) . . ?
C2_23 C1_23 C4_23 109.9(15) . . ?
F1_23 C2_23 F2_23 107(2) . . ?
F1_23 C2_23 F3_23 108(2) . . ?
F2_23 C2_23 F3_23 110(2) . . ?
F1_23 C2_23 C1_23 109.8(18) . . ?
F2_23 C2_23 C1_23 110.6(18) . . ?
F3_23 C2_23 C1_23 111.6(18) . . ?
F4_23 C3_23 F6_23 113(2) . . ?
F4_23 C3_23 F5_23 106(2) . . ?
F6_23 C3_23 F5_23 107(2) . . ?
F4_23 C3_23 C1_23 109.4(19) . . ?
F6_23 C3_23 C1_23 111.5(18) . . ?
F5_23 C3_23 C1_23 109.2(18) . . ?
F9_23 C4_23 F7_23 112(2) . . ?
F9_23 C4_23 F8_23 107(2) . . ?
F7_23 C4_23 F8_23 108(2) . . ?
F9_23 C4_23 C1_23 110.8(18) . . ?
F7_23 C4_23 C1_23 109.9(18) . . ?
F8_23 C4_23 C1_23 109.6(18) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P3 Ga2 N1 C1_20 -170.2(2) . . . . ?
Ga1 Ga2 N1 C1_20 -41.7(3) . . . . ?
P4 Ga2 N1 C1_20 101.2(3) . . . . ?
C1_17 P4 C4 C3 94.6(2) . . . . ?
C1_15 P4 C4 C3 -151.3(2) . . . . ?
Ga2 P4 C4 C3 -25.9(2) . . . . ?
C1_16 P1 C1 C2 79.7(2) . . . . ?
C1_12 P1 C1 C2 -160.61(18) . . . . ?
Ga1 P1 C1 C2 -37.49(19) . . . . ?
P4 C4 C3 P3 49.9(3) . . . . ?
C1_14 P3 C3 C4 -177.67(19) . . . . ?
C1_13 P3 C3 C4 63.5(2) . . . . ?
Ga2 P3 C3 C4 -47.6(2) . . . . ?
P1 C1 C2 P2 57.4(2) . . . . ?
C1_18 P2 C2 C1 64.4(2) . . . . ?
C1_19 P2 C2 C1 179.70(18) . . . . ?
Ga1 P2 C2 C1 -46.54(19) . . . . ?
O1_3 Al2 O1_1 C1_1 162.7(5) . . . . ?
O1_4 Al2 O1_1 C1_1 -78.8(5) . . . . ?
O1_2 Al2 O1_1 C1_1 40.1(5) . . . . ?
Al2 O1_1 C1_1 C3_1 115.9(5) . . . . ?
Al2 O1_1 C1_1 C4_1 -124.7(5) . . . . ?
Al2 O1_1 C1_1 C2_1 -4.4(6) . . . . ?
O1_1 C1_1 C2_1 F3_1 40.7(4) . . . . ?
C3_1 C1_1 C2_1 F3_1 -79.6(4) . . . . ?
C4_1 C1_1 C2_1 F3_1 160.9(3) . . . . ?
O1_1 C1_1 C2_1 F2_1 160.9(3) . . . . ?
C3_1 C1_1 C2_1 F2_1 40.6(4) . . . . ?
C4_1 C1_1 C2_1 F2_1 -78.8(4) . . . . ?
O1_1 C1_1 C2_1 F1_1 -78.2(4) . . . . ?
C3_1 C1_1 C2_1 F1_1 161.5(3) . . . . ?
C4_1 C1_1 C2_1 F1_1 42.1(4) . . . . ?
O1_1 C1_1 C3_1 F4_1 44.6(4) . . . . ?
C4_1 C1_1 C3_1 F4_1 -74.2(4) . . . . ?
C2_1 C1_1 C3_1 F4_1 166.9(3) . . . . ?
O1_1 C1_1 C3_1 F5_1 -75.7(4) . . . . ?
C4_1 C1_1 C3_1 F5_1 165.5(3) . . . . ?
C2_1 C1_1 C3_1 F5_1 46.6(4) . . . . ?
O1_1 C1_1 C3_1 F6_1 165.2(3) . . . . ?
C4_1 C1_1 C3_1 F6_1 46.4(4) . . . . ?
C2_1 C1_1 C3_1 F6_1 -72.5(4) . . . . ?
O1_1 C1_1 C4_1 F7_1 -73.7(4) . . . . ?
C3_1 C1_1 C4_1 F7_1 45.1(4) . . . . ?
C2_1 C1_1 C4_1 F7_1 164.0(3) . . . . ?
O1_1 C1_1 C4_1 F9_1 46.3(5) . . . . ?
C3_1 C1_1 C4_1 F9_1 165.1(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 -76.0(4) . . . . ?
O1_1 C1_1 C4_1 F8_1 165.9(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 -75.3(4) . . . . ?
C2_1 C1_1 C4_1 F8_1 43.6(4) . . . . ?
O1_3 Al2 O1_2 C1_2 76.2(5) . . . . ?
O1_1 Al2 O1_2 C1_2 -163.9(5) . . . . ?
O1_4 Al2 O1_2 C1_2 -40.9(5) . . . . ?
Al2 O1_2 C1_2 C2_2 94.6(5) . . . . ?
Al2 O1_2 C1_2 C3_2 -146.6(4) . . . . ?
Al2 O1_2 C1_2 C4_2 -26.7(7) . . . . ?
O1_2 C1_2 C2_2 F3_2 70.9(4) . . . . ?
C3_2 C1_2 C2_2 F3_2 -46.8(4) . . . . ?
C4_2 C1_2 C2_2 F3_2 -166.1(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 -48.1(4) . . . . ?
C3_2 C1_2 C2_2 F1_2 -165.8(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 74.9(4) . . . . ?
O1_2 C1_2 C2_2 F2_2 -168.1(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 74.2(4) . . . . ?
C4_2 C1_2 C2_2 F2_2 -45.1(4) . . . . ?
O1_2 C1_2 C3_2 F5_2 -40.3(4) . . . . ?
C2_2 C1_2 C3_2 F5_2 78.6(4) . . . . ?
C4_2 C1_2 C3_2 F5_2 -162.1(3) . . . . ?
O1_2 C1_2 C3_2 F6_2 -160.5(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -41.6(4) . . . . ?
C4_2 C1_2 C3_2 F6_2 77.8(4) . . . . ?
O1_2 C1_2 C3_2 F4_2 78.6(4) . . . . ?
C2_2 C1_2 C3_2 F4_2 -162.5(3) . . . . ?
C4_2 C1_2 C3_2 F4_2 -43.1(4) . . . . ?
O1_2 C1_2 C4_2 F7_2 -42.3(4) . . . . ?
C2_2 C1_2 C4_2 F7_2 -163.8(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 76.7(4) . . . . ?
O1_2 C1_2 C4_2 F8_2 -163.2(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 75.3(4) . . . . ?
C3_2 C1_2 C4_2 F8_2 -44.2(4) . . . . ?
O1_2 C1_2 C4_2 F9_2 76.2(4) . . . . ?
C2_2 C1_2 C4_2 F9_2 -45.3(4) . . . . ?
C3_2 C1_2 C4_2 F9_2 -164.8(3) . . . . ?
O1_1 Al2 O1_3 C1_3 -42.0(5) . . . . ?
O1_4 Al2 O1_3 C1_3 -164.7(4) . . . . ?
O1_2 Al2 O1_3 C1_3 78.1(5) . . . . ?
Al2 O1_3 C1_3 C4_3 71.5(5) . . . . ?
Al2 O1_3 C1_3 C3_3 -49.3(6) . . . . ?
Al2 O1_3 C1_3 C2_3 -167.3(4) . . . . ?
O1_3 C1_3 C2_3 F1_3 -78.3(4) . . . . ?
C4_3 C1_3 C2_3 F1_3 43.5(4) . . . . ?
C3_3 C1_3 C2_3 F1_3 161.6(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 41.4(4) . . . . ?
C4_3 C1_3 C2_3 F3_3 163.2(3) . . . . ?
C3_3 C1_3 C2_3 F3_3 -78.8(4) . . . . ?
O1_3 C1_3 C2_3 F2_3 161.8(4) . . . . ?
C4_3 C1_3 C2_3 F2_3 -76.4(5) . . . . ?
C3_3 C1_3 C2_3 F2_3 41.6(5) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.5(4) . . . . ?
C4_3 C1_3 C3_3 F4_3 -78.0(4) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.6(3) . . . . ?
O1_3 C1_3 C3_3 F6_3 166.4(3) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.8(4) . . . . ?
C2_3 C1_3 C3_3 F6_3 -75.6(4) . . . . ?
O1_3 C1_3 C3_3 F5_3 -73.2(4) . . . . ?
C4_3 C1_3 C3_3 F5_3 164.3(3) . . . . ?
C2_3 C1_3 C3_3 F5_3 44.9(4) . . . . ?
O1_3 C1_3 C4_3 F9_3 41.0(5) . . . . ?
C3_3 C1_3 C4_3 F9_3 163.5(3) . . . . ?
C2_3 C1_3 C4_3 F9_3 -78.8(4) . . . . ?
O1_3 C1_3 C4_3 F8_3 160.6(3) . . . . ?
C3_3 C1_3 C4_3 F8_3 -77.0(4) . . . . ?
C2_3 C1_3 C4_3 F8_3 40.8(5) . . . . ?
O1_3 C1_3 C4_3 F7_3 -78.3(4) . . . . ?
C3_3 C1_3 C4_3 F7_3 44.2(4) . . . . ?
C2_3 C1_3 C4_3 F7_3 162.0(3) . . . . ?
O1_3 Al2 O1_4 C1_4 33.1(4) . . . . ?
O1_1 Al2 O1_4 C1_4 -86.3(4) . . . . ?
O1_2 Al2 O1_4 C1_4 153.9(4) . . . . ?
Al2 O1_4 C1_4 C3_4 -167.2(3) . . . . ?
Al2 O1_4 C1_4 C4_4 -46.1(5) . . . . ?
Al2 O1_4 C1_4 C2_4 74.1(4) . . . . ?
O1_4 C1_4 C2_4 F3_4 72.5(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -46.9(3) . . . . ?
C4_4 C1_4 C2_4 F3_4 -165.3(3) . . . . ?
O1_4 C1_4 C2_4 F1_4 -46.7(3) . . . . ?
C3_4 C1_4 C2_4 F1_4 -166.1(3) . . . . ?
C4_4 C1_4 C2_4 F1_4 75.4(3) . . . . ?
O1_4 C1_4 C2_4 F2_4 -166.1(3) . . . . ?
C3_4 C1_4 C2_4 F2_4 74.4(3) . . . . ?
C4_4 C1_4 C2_4 F2_4 -44.0(4) . . . . ?
O1_4 C1_4 C3_4 F5_4 -44.5(4) . . . . ?
C4_4 C1_4 C3_4 F5_4 -167.0(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 75.1(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 -164.6(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 72.9(4) . . . . ?
C2_4 C1_4 C3_4 F6_4 -44.9(4) . . . . ?
O1_4 C1_4 C3_4 F4_4 74.9(3) . . . . ?
C4_4 C1_4 C3_4 F4_4 -47.6(4) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.5(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 75.3(3) . . . . ?
C3_4 C1_4 C4_4 F9_4 -163.5(3) . . . . ?
C2_4 C1_4 C4_4 F9_4 -45.7(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -44.2(4) . . . . ?
C3_4 C1_4 C4_4 F7_4 77.0(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 -165.2(3) . . . . ?
O1_4 C1_4 C4_4 F8_4 -164.5(3) . . . . ?
C3_4 C1_4 C4_4 F8_4 -43.3(4) . . . . ?
C2_4 C1_4 C4_4 F8_4 74.5(3) . . . . ?
O1_6 Al1 O1_5 C1_5 177.8(5) . . . . ?
O1_7 Al1 O1_5 C1_5 74.2(5) . . . . ?
O1_8 Al1 O1_5 C1_5 -64.4(6) . . . . ?
Al1 O1_5 C1_5 C2_5 100.3(5) . . . . ?
Al1 O1_5 C1_5 C3_5 -141.0(5) . . . . ?
Al1 O1_5 C1_5 C4_5 -21.0(6) . . . . ?
O1_5 C1_5 C2_5 F3_5 40.6(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 -77.2(4) . . . . ?
C4_5 C1_5 C2_5 F3_5 163.1(3) . . . . ?
O1_5 C1_5 C2_5 F2_5 161.5(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 43.7(4) . . . . ?
C4_5 C1_5 C2_5 F2_5 -76.0(4) . . . . ?
O1_5 C1_5 C2_5 F1_5 -79.5(4) . . . . ?
C3_5 C1_5 C2_5 F1_5 162.6(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 42.9(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 45.7(4) . . . . ?
C2_5 C1_5 C3_5 F4_5 164.4(3) . . . . ?
C4_5 C1_5 C3_5 F4_5 -75.7(3) . . . . ?
O1_5 C1_5 C3_5 F5_5 -73.4(3) . . . . ?
C2_5 C1_5 C3_5 F5_5 45.4(4) . . . . ?
C4_5 C1_5 C3_5 F5_5 165.2(3) . . . . ?
O1_5 C1_5 C3_5 F6_5 165.8(3) . . . . ?
C2_5 C1_5 C3_5 F6_5 -75.5(4) . . . . ?
C4_5 C1_5 C3_5 F6_5 44.4(4) . . . . ?
O1_5 C1_5 C4_5 F9_5 42.6(4) . . . . ?
C2_5 C1_5 C4_5 F9_5 -78.6(3) . . . . ?
C3_5 C1_5 C4_5 F9_5 161.8(3) . . . . ?
O1_5 C1_5 C4_5 F7_5 -76.2(3) . . . . ?
C2_5 C1_5 C4_5 F7_5 162.6(3) . . . . ?
C3_5 C1_5 C4_5 F7_5 43.0(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 163.1(3) . . . . ?
C2_5 C1_5 C4_5 F8_5 41.9(4) . . . . ?
C3_5 C1_5 C4_5 F8_5 -77.7(3) . . . . ?
O1_5 Al1 O1_6 C1_6 23.1(10) . . . . ?
O1_7 Al1 O1_6 C1_6 124.0(9) . . . . ?
O1_8 Al1 O1_6 C1_6 -89.2(10) . . . . ?
Al1 O1_6 C1_6 C2_6 66.8(11) . . . . ?
Al1 O1_6 C1_6 C4_6 -55.4(11) . . . . ?
Al1 O1_6 C1_6 C3_6 -174.3(7) . . . . ?
O1_6 C1_6 C2_6 F2_6 -165.9(6) . . . . ?
C4_6 C1_6 C2_6 F2_6 -42.9(8) . . . . ?
C3_6 C1_6 C2_6 F2_6 76.3(7) . . . . ?
O1_6 C1_6 C2_6 F1_6 -44.6(8) . . . . ?
C4_6 C1_6 C2_6 F1_6 78.4(7) . . . . ?
C3_6 C1_6 C2_6 F1_6 -162.4(6) . . . . ?
O1_6 C1_6 C2_6 F3_6 73.7(8) . . . . ?
C4_6 C1_6 C2_6 F3_6 -163.3(6) . . . . ?
C3_6 C1_6 C2_6 F3_6 -44.2(7) . . . . ?
O1_6 C1_6 C3_6 F4_6 75.5(7) . . . . ?
C2_6 C1_6 C3_6 F4_6 -164.1(6) . . . . ?
C4_6 C1_6 C3_6 F4_6 -44.6(8) . . . . ?
O1_6 C1_6 C3_6 F5_6 -44.7(8) . . . . ?
C2_6 C1_6 C3_6 F5_6 75.6(7) . . . . ?
C4_6 C1_6 C3_6 F5_6 -164.8(6) . . . . ?
O1_6 C1_6 C3_6 F6_6 -165.3(6) . . . . ?
C2_6 C1_6 C3_6 F6_6 -45.0(8) . . . . ?
C4_6 C1_6 C3_6 F6_6 74.6(7) . . . . ?
O1_6 C1_6 C4_6 F7_6 -36.2(9) . . . . ?
C2_6 C1_6 C4_6 F7_6 -159.4(7) . . . . ?
C3_6 C1_6 C4_6 F7_6 81.5(8) . . . . ?
O1_6 C1_6 C4_6 F9_6 84.2(11) . . . . ?
C2_6 C1_6 C4_6 F9_6 -38.9(11) . . . . ?
C3_6 C1_6 C4_6 F9_6 -158.0(10) . . . . ?
O1_6 C1_6 C4_6 F8_6 -156.2(6) . . . . ?
C2_6 C1_6 C4_6 F8_6 80.6(7) . . . . ?
C3_6 C1_6 C4_6 F8_6 -38.5(8) . . . . ?
O1_5 Al1 O1_7 C1_7 -167.5(8) . . . . ?
O1_6 Al1 O1_7 C1_7 80.8(9) . . . . ?
O1_8 Al1 O1_7 C1_7 -53.1(9) . . . . ?
Al1 O1_7 C1_7 C4_7 -14.0(12) . . . . ?
Al1 O1_7 C1_7 C3_7 -133.5(7) . . . . ?
Al1 O1_7 C1_7 C2_7 93.4(10) . . . . ?
O1_7 C1_7 C2_7 F1_7 -48.2(13) . . . . ?
C4_7 C1_7 C2_7 F1_7 68.7(11) . . . . ?
C3_7 C1_7 C2_7 F1_7 -177.2(9) . . . . ?
O1_7 C1_7 C2_7 F2_7 174.5(10) . . . . ?
C4_7 C1_7 C2_7 F2_7 -68.6(12) . . . . ?
C3_7 C1_7 C2_7 F2_7 45.5(13) . . . . ?
O1_7 C1_7 C2_7 F3_7 65.1(9) . . . . ?
C4_7 C1_7 C2_7 F3_7 -178.0(7) . . . . ?
C3_7 C1_7 C2_7 F3_7 -63.9(9) . . . . ?
O1_7 C1_7 C3_7 F6_7 -162.4(6) . . . . ?
C4_7 C1_7 C3_7 F6_7 76.9(8) . . . . ?
C2_7 C1_7 C3_7 F6_7 -28.3(10) . . . . ?
O1_7 C1_7 C3_7 F4_7 76.2(8) . . . . ?
C4_7 C1_7 C3_7 F4_7 -44.6(9) . . . . ?
C2_7 C1_7 C3_7 F4_7 -149.7(8) . . . . ?
O1_7 C1_7 C3_7 F5_7 -41.8(8) . . . . ?
C4_7 C1_7 C3_7 F5_7 -162.5(7) . . . . ?
C2_7 C1_7 C3_7 F5_7 92.3(9) . . . . ?
O1_7 C1_7 C4_7 F7_7 -40.1(10) . . . . ?
C3_7 C1_7 C4_7 F7_7 78.0(9) . . . . ?
C2_7 C1_7 C4_7 F7_7 -162.3(8) . . . . ?
O1_7 C1_7 C4_7 F9_7 81.4(8) . . . . ?
C3_7 C1_7 C4_7 F9_7 -160.5(7) . . . . ?
C2_7 C1_7 C4_7 F9_7 -40.8(8) . . . . ?
O1_7 C1_7 C4_7 F8_7 -160.1(9) . . . . ?
C3_7 C1_7 C4_7 F8_7 -42.0(10) . . . . ?
C2_7 C1_7 C4_7 F8_7 77.7(10) . . . . ?
O1_5 Al1 O1_8 C1_8 163.7(7) . . . . ?
O1_6 Al1 O1_8 C1_8 -79.1(8) . . . . ?
O1_7 Al1 O1_8 C1_8 51.6(8) . . . . ?
Al1 O1_8 C1_8 C4_8 -178.1(5) . . . . ?
Al1 O1_8 C1_8 C3_8 65.1(10) . . . . ?
Al1 O1_8 C1_8 C2_8 -62.0(10) . . . . ?
O1_8 C1_8 C2_8 F2_8 -148.9(7) . . . . ?
C4_8 C1_8 C2_8 F2_8 -40.8(8) . . . . ?
C3_8 C1_8 C2_8 F2_8 83.9(7) . . . . ?
O1_8 C1_8 C2_8 F3_8 91.5(8) . . . . ?
C4_8 C1_8 C2_8 F3_8 -160.3(6) . . . . ?
C3_8 C1_8 C2_8 F3_8 -35.6(8) . . . . ?
O1_8 C1_8 C2_8 F1_8 -27.5(8) . . . . ?
C4_8 C1_8 C2_8 F1_8 80.6(7) . . . . ?
C3_8 C1_8 C2_8 F1_8 -154.7(6) . . . . ?
O1_8 C1_8 C3_8 F4_8 58.5(8) . . . . ?
C4_8 C1_8 C3_8 F4_8 -45.9(8) . . . . ?
C2_8 C1_8 C3_8 F4_8 -168.3(6) . . . . ?
O1_8 C1_8 C3_8 F6_8 -178.9(8) . . . . ?
C4_8 C1_8 C3_8 F6_8 76.8(10) . . . . ?
C2_8 C1_8 C3_8 F6_8 -45.7(10) . . . . ?
O1_8 C1_8 C3_8 F5_8 -63.2(9) . . . . ?
C4_8 C1_8 C3_8 F5_8 -167.5(7) . . . . ?
C2_8 C1_8 C3_8 F5_8 70.0(8) . . . . ?
O1_8 C1_8 C4_8 F9_8 80.1(7) . . . . ?
C3_8 C1_8 C4_8 F9_8 -166.6(6) . . . . ?
C2_8 C1_8 C4_8 F9_8 -44.5(8) . . . . ?
O1_8 C1_8 C4_8 F7_8 -47.4(8) . . . . ?
C3_8 C1_8 C4_8 F7_8 65.9(9) . . . . ?
C2_8 C1_8 C4_8 F7_8 -172.0(5) . . . . ?
O1_8 C1_8 C4_8 F8_8 -155.8(5) . . . . ?
C3_8 C1_8 C4_8 F8_8 -42.4(8) . . . . ?
C2_8 C1_8 C4_8 F8_8 79.7(7) . . . . ?
O1_11 Al1 O1_9 C1_9 172.6(11) . . . . ?
O1_10 Al1 O1_9 C1_9 52.2(11) . . . . ?
Al1 O1_9 C1_9 C2_9 138.2(8) . . . . ?
Al1 O1_9 C1_9 C3_9 -109.4(10) . . . . ?
Al1 O1_9 C1_9 C4_9 2(2) . . . . ?
O1_9 C1_9 C2_9 F2_9 137.7(11) . . . . ?
C3_9 C1_9 C2_9 F2_9 34.4(14) . . . . ?
C4_9 C1_9 C2_9 F2_9 -73.0(14) . . . . ?
O1_9 C1_9 C2_9 F1_9 -101.8(11) . . . . ?
C3_9 C1_9 C2_9 F1_9 155.0(10) . . . . ?
C4_9 C1_9 C2_9 F1_9 47.5(13) . . . . ?
O1_9 C1_9 C2_9 F3_9 25.9(15) . . . . ?
C3_9 C1_9 C2_9 F3_9 -77.4(14) . . . . ?
C4_9 C1_9 C2_9 F3_9 175.2(11) . . . . ?
O1_9 C1_9 C3_9 F4_9 61.1(12) . . . . ?
C2_9 C1_9 C3_9 F4_9 169.4(10) . . . . ?
C4_9 C1_9 C3_9 F4_9 -77.3(12) . . . . ?
O1_9 C1_9 C3_9 F6_9 -174.2(17) . . . . ?
C2_9 C1_9 C3_9 F6_9 -65.9(19) . . . . ?
C4_9 C1_9 C3_9 F6_9 47.4(19) . . . . ?
O1_9 C1_9 C3_9 F5_9 -54.8(10) . . . . ?
C2_9 C1_9 C3_9 F5_9 53.5(11) . . . . ?
C4_9 C1_9 C3_9 F5_9 166.8(9) . . . . ?
O1_9 C1_9 C4_9 F8_9 148.9(14) . . . . ?
C2_9 C1_9 C4_9 F8_9 13.5(14) . . . . ?
C3_9 C1_9 C4_9 F8_9 -100.7(11) . . . . ?
O1_9 C1_9 C4_9 F7_9 -75.0(18) . . . . ?
C2_9 C1_9 C4_9 F7_9 149.6(11) . . . . ?
C3_9 C1_9 C4_9 F7_9 35.4(14) . . . . ?
O1_9 C1_9 C4_9 F9_9 36.1(16) . . . . ?
C2_9 C1_9 C4_9 F9_9 -99.3(10) . . . . ?
C3_9 C1_9 C4_9 F9_9 146.4(9) . . . . ?
O1_9 Al1 O1_10 C1_10 -164.3(14) . . . . ?
O1_11 Al1 O1_10 C1_10 110.3(15) . . . . ?
Al1 O1_10 C1_10 C3_10 63.9(18) . . . . ?
Al1 O1_10 C1_10 C4_10 -176.8(11) . . . . ?
Al1 O1_10 C1_10 C2_10 -58.2(19) . . . . ?
O1_10 C1_10 C2_10 F2_10 166.0(10) . . . . ?
C3_10 C1_10 C2_10 F2_10 43.1(12) . . . . ?
C4_10 C1_10 C2_10 F2_10 -76.7(11) . . . . ?
O1_10 C1_10 C2_10 F3_10 46.2(13) . . . . ?
C3_10 C1_10 C2_10 F3_10 -76.7(11) . . . . ?
C4_10 C1_10 C2_10 F3_10 163.5(9) . . . . ?
O1_10 C1_10 C2_10 F1_10 -72.0(12) . . . . ?
C3_10 C1_10 C2_10 F1_10 165.1(8) . . . . ?
C4_10 C1_10 C2_10 F1_10 45.3(11) . . . . ?
O1_10 C1_10 C3_10 F5_10 -79.5(17) . . . . ?
C4_10 C1_10 C3_10 F5_10 163.0(15) . . . . ?
C2_10 C1_10 C3_10 F5_10 43.6(17) . . . . ?
O1_10 C1_10 C3_10 F4_10 39.8(12) . . . . ?
C4_10 C1_10 C3_10 F4_10 -77.7(11) . . . . ?
C2_10 C1_10 C3_10 F4_10 162.9(8) . . . . ?
O1_10 C1_10 C3_10 F6_10 159.3(10) . . . . ?
C4_10 C1_10 C3_10 F6_10 41.8(12) . . . . ?
C2_10 C1_10 C3_10 F6_10 -77.5(11) . . . . ?
O1_10 C1_10 C4_10 F9_10 45.0(12) . . . . ?
C3_10 C1_10 C4_10 F9_10 165.1(10) . . . . ?
C2_10 C1_10 C4_10 F9_10 -75.2(12) . . . . ?
O1_10 C1_10 C4_10 F8_10 166.1(10) . . . . ?
C3_10 C1_10 C4_10 F8_10 -73.7(12) . . . . ?
C2_10 C1_10 C4_10 F8_10 45.9(12) . . . . ?
O1_10 C1_10 C4_10 F7_10 -73.6(12) . . . . ?
C3_10 C1_10 C4_10 F7_10 46.6(13) . . . . ?
C2_10 C1_10 C4_10 F7_10 166.2(9) . . . . ?
O1_9 Al1 O1_11 C1_11 -147.8(9) . . . . ?
O1_10 Al1 O1_11 C1_11 -44.0(10) . . . . ?
Al1 O1_11 C1_11 C4_11 -28.8(12) . . . . ?
Al1 O1_11 C1_11 C2_11 96.4(9) . . . . ?
Al1 O1_11 C1_11 C3_11 -133.7(8) . . . . ?
O1_11 C1_11 C2_11 F1_11 -42.2(9) . . . . ?
C4_11 C1_11 C2_11 F1_11 83.2(9) . . . . ?
C3_11 C1_11 C2_11 F1_11 -162.4(8) . . . . ?
O1_11 C1_11 C2_11 F3_11 73.4(8) . . . . ?
C4_11 C1_11 C2_11 F3_11 -161.2(7) . . . . ?
C3_11 C1_11 C2_11 F3_11 -46.8(10) . . . . ?
O1_11 C1_11 C2_11 F2_11 -162.3(8) . . . . ?
C4_11 C1_11 C2_11 F2_11 -36.9(10) . . . . ?
C3_11 C1_11 C2_11 F2_11 77.5(11) . . . . ?
O1_11 C1_11 C3_11 F5_11 -30.8(8) . . . . ?
C4_11 C1_11 C3_11 F5_11 -146.4(7) . . . . ?
C2_11 C1_11 C3_11 F5_11 92.2(9) . . . . ?
O1_11 C1_11 C3_11 F6_11 -144.6(8) . . . . ?
C4_11 C1_11 C3_11 F6_11 99.9(9) . . . . ?
C2_11 C1_11 C3_11 F6_11 -21.6(12) . . . . ?
O1_11 C1_11 C3_11 F4_11 90.1(9) . . . . ?
C4_11 C1_11 C3_11 F4_11 -25.5(10) . . . . ?
C2_11 C1_11 C3_11 F4_11 -146.9(8) . . . . ?
O1_11 C1_11 C4_11 F7_11 -36.8(9) . . . . ?
C2_11 C1_11 C4_11 F7_11 -160.6(7) . . . . ?
C3_11 C1_11 C4_11 F7_11 71.8(8) . . . . ?
O1_11 C1_11 C4_11 F8_11 -162.7(7) . . . . ?
C2_11 C1_11 C4_11 F8_11 73.5(9) . . . . ?
C3_11 C1_11 C4_11 F8_11 -54.0(9) . . . . ?
O1_11 C1_11 C4_11 F9_11 79.9(8) . . . . ?
C2_11 C1_11 C4_11 F9_11 -43.9(8) . . . . ?
C3_11 C1_11 C4_11 F9_11 -171.4(7) . . . . ?
C1_16 P1 C1_12 C6_12 55.5(2) . . . . ?
C1 P1 C1_12 C6_12 -61.9(2) . . . . ?
Ga1 P1 C1_12 C6_12 -177.67(17) . . . . ?
C1_16 P1 C1_12 C2_12 -178.66(18) . . . . ?
C1 P1 C1_12 C2_12 64.0(2) . . . . ?
Ga1 P1 C1_12 C2_12 -51.8(2) . . . . ?
C6_12 C1_12 C2_12 C3_12 -56.6(3) . . . . ?
P1 C1_12 C2_12 C3_12 175.4(2) . . . . ?
C1_12 C2_12 C3_12 C4_12 57.1(3) . . . . ?
C2_12 C3_12 C4_12 C5_12 -56.7(4) . . . . ?
C3_12 C4_12 C5_12 C6_12 56.5(4) . . . . ?
C2_12 C1_12 C6_12 C5_12 55.4(3) . . . . ?
P1 C1_12 C6_12 C5_12 -179.1(2) . . . . ?
C4_12 C5_12 C6_12 C1_12 -55.9(4) . . . . ?
C3 P3 C1_13 C6_13 34.7(2) . . . . ?
C1_14 P3 C1_13 C6_13 -82.6(2) . . . . ?
Ga2 P3 C1_13 C6_13 144.60(18) . . . . ?
C3 P3 C1_13 C2_13 163.45(19) . . . . ?
C1_14 P3 C1_13 C2_13 46.1(2) . . . . ?
Ga2 P3 C1_13 C2_13 -86.66(18) . . . . ?
C6_13 C1_13 C2_13 C3_13 -57.9(3) . . . . ?
P3 C1_13 C2_13 C3_13 170.28(18) . . . . ?
C1_13 C2_13 C3_13 C4_13 54.6(3) . . . . ?
C2_13 C3_13 C4_13 C5_13 -54.0(3) . . . . ?
C3_13 C4_13 C5_13 C6_13 55.8(3) . . . . ?
C4_13 C5_13 C6_13 C1_13 -58.1(3) . . . . ?
C2_13 C1_13 C6_13 C5_13 59.5(3) . . . . ?
P3 C1_13 C6_13 C5_13 -171.36(19) . . . . ?
C3 P3 C1_14 C6_14 -57.3(2) . . . . ?
C1_13 P3 C1_14 C6_14 58.5(2) . . . . ?
Ga2 P3 C1_14 C6_14 -177.05(17) . . . . ?
C3 P3 C1_14 C2_14 69.7(2) . . . . ?
C1_13 P3 C1_14 C2_14 -174.5(2) . . . . ?
Ga2 P3 C1_14 C2_14 -50.1(2) . . . . ?
C6_14 C1_14 C2_14 C3_14 -54.9(3) . . . . ?
P3 C1_14 C2_14 C3_14 176.8(2) . . . . ?
C1_14 C2_14 C3_14 C4_14 54.5(4) . . . . ?
C2_14 C3_14 C4_14 C5_14 -55.5(4) . . . . ?
C3_14 C4_14 C5_14 C6_14 57.4(4) . . . . ?
C4_14 C5_14 C6_14 C1_14 -57.9(4) . . . . ?
C2_14 C1_14 C6_14 C5_14 56.4(3) . . . . ?
P3 C1_14 C6_14 C5_14 -176.5(2) . . . . ?
C1_17 P4 C1_15 C2_15 -174.39(19) . . . . ?
C4 P4 C1_15 C2_15 71.7(2) . . . . ?
Ga2 P4 C1_15 C2_15 -45.7(2) . . . . ?
C1_17 P4 C1_15 C6_15 60.3(2) . . . . ?
C4 P4 C1_15 C6_15 -53.6(2) . . . . ?
Ga2 P4 C1_15 C6_15 -171.09(16) . . . . ?
C6_15 C1_15 C2_15 C3_15 -55.5(3) . . . . ?
P4 C1_15 C2_15 C3_15 177.9(2) . . . . ?
C1_15 C2_15 C3_15 C4_15 56.9(3) . . . . ?
C2_15 C3_15 C4_15 C5_15 -57.6(4) . . . . ?
C3_15 C4_15 C5_15 C6_15 58.0(4) . . . . ?
C4_15 C5_15 C6_15 C1_15 -56.8(3) . . . . ?
C2_15 C1_15 C6_15 C5_15 55.3(3) . . . . ?
P4 C1_15 C6_15 C5_15 -178.7(2) . . . . ?
C1 P1 C1_16 C2_16 164.00(18) . . . . ?
C1_12 P1 C1_16 C2_16 46.3(2) . . . . ?
Ga1 P1 C1_16 C2_16 -83.20(19) . . . . ?
C1 P1 C1_16 C6_16 36.0(2) . . . . ?
C1_12 P1 C1_16 C6_16 -81.7(2) . . . . ?
Ga1 P1 C1_16 C6_16 148.79(18) . . . . ?
C6_16 C1_16 C2_16 C3_16 -54.6(3) . . . . ?
P1 C1_16 C2_16 C3_16 175.3(2) . . . . ?
C1_16 C2_16 C3_16 C4_16 54.9(4) . . . . ?
C2_16 C3_16 C4_16 C5_16 -56.9(4) . . . . ?
C3_16 C4_16 C5_16 C6_16 58.3(4) . . . . ?
C4_16 C5_16 C6_16 C1_16 -56.9(4) . . . . ?
C2_16 C1_16 C6_16 C5_16 55.5(3) . . . . ?
P1 C1_16 C6_16 C5_16 -177.3(2) . . . . ?
C4 P4 C1_17 C2_17 -50.9(3) . . . . ?
C1_15 P4 C1_17 C2_17 -164.2(2) . . . . ?
Ga2 P4 C1_17 C2_17 64.6(2) . . . . ?
C4 P4 C1_17 C6_17 -175.5(2) . . . . ?
C1_15 P4 C1_17 C6_17 71.2(2) . . . . ?
Ga2 P4 C1_17 C6_17 -60.1(2) . . . . ?
C6_17 C1_17 C2_17 C3_17 -53.7(4) . . . . ?
P4 C1_17 C2_17 C3_17 -177.0(3) . . . . ?
C1_17 C2_17 C3_17 C4_17 55.2(5) . . . . ?
C2_17 C3_17 C4_17 C5_17 -56.8(5) . . . . ?
C3_17 C4_17 C5_17 C6_17 56.5(6) . . . . ?
C4_17 C5_17 C6_17 C1_17 -53.9(6) . . . . ?
C2_17 C1_17 C6_17 C5_17 52.8(4) . . . . ?
P4 C1_17 C6_17 C5_17 177.0(3) . . . . ?
C2 P2 C1_18 C2_18 178.38(19) . . . . ?
C1_19 P2 C1_18 C2_18 61.4(2) . . . . ?
Ga1 P2 C1_18 C2_18 -72.86(19) . . . . ?
C2 P2 C1_18 C6_18 51.7(3) . . . . ?
C1_19 P2 C1_18 C6_18 -65.3(2) . . . . ?
Ga1 P2 C1_18 C6_18 160.5(2) . . . . ?
C6_18 C1_18 C2_18 C3_18 -57.6(3) . . . . ?
P2 C1_18 C2_18 C3_18 173.5(2) . . . . ?
C1_18 C2_18 C3_18 C4_18 57.3(4) . . . . ?
C2_18 C3_18 C4_18 C5_18 -56.6(4) . . . . ?
C3_18 C4_18 C5_18 C6_18 56.0(5) . . . . ?
C4_18 C5_18 C6_18 C1_18 -56.3(5) . . . . ?
C2_18 C1_18 C6_18 C5_18 57.4(4) . . . . ?
P2 C1_18 C6_18 C5_18 -175.8(3) . . . . ?
C2 P2 C1_19 C6_19 17.8(3) . . . . ?
C1_18 P2 C1_19 C6_19 132.4(2) . . . . ?
Ga1 P2 C1_19 C6_19 -103.9(2) . . . . ?
C2 P2 C1_19 C2_19 143.3(2) . . . . ?
C1_18 P2 C1_19 C2_19 -102.1(2) . . . . ?
Ga1 P2 C1_19 C2_19 21.6(3) . . . . ?
C6_19 C1_19 C2_19 C3_19 -56.2(3) . . . . ?
P2 C1_19 C2_19 C3_19 176.1(2) . . . . ?
C1_19 C2_19 C3_19 C4_19 56.3(4) . . . . ?
C2_19 C3_19 C4_19 C5_19 -56.6(4) . . . . ?
C3_19 C4_19 C5_19 C6_19 57.6(4) . . . . ?
C2_19 C1_19 C6_19 C5_19 56.4(4) . . . . ?
P2 C1_19 C6_19 C5_19 -178.5(2) . . . . ?
C4_19 C5_19 C6_19 C1_19 -57.3(4) . . . . ?
Ga2 N1 C1_20 C2_20 -4.1(4) . . . . ?
Ga2 N1 C1_20 C6_20 174.9(2) . . . . ?
N1 C1_20 C2_20 C3_20 178.4(3) . . . . ?
C6_20 C1_20 C2_20 C3_20 -0.6(5) . . . . ?
C1_20 C2_20 C3_20 C4_20 -0.1(6) . . . . ?
C2_20 C3_20 C4_20 C5_20 0.7(8) . . . . ?
C3_20 C4_20 C5_20 C6_20 -0.7(8) . . . . ?
C4_20 C5_20 C6_20 C1_20 0.0(7) . . . . ?
C2_20 C1_20 C6_20 C5_20 0.6(5) . . . . ?
N1 C1_20 C6_20 C5_20 -178.4(4) . . . . ?
O1_23 Al2 O1_21 C1_21 167(4) . . . . ?
O1_22 Al2 O1_21 C1_21 -89(5) . . . . ?
Al2 O1_21 C1_21 C4_21 51(5) . . . . ?
Al2 O1_21 C1_21 C3_21 -72(5) . . . . ?
Al2 O1_21 C1_21 C2_21 169(4) . . . . ?
O1_21 C1_21 C2_21 F1_21 -157(3) . . . . ?
C4_21 C1_21 C2_21 F1_21 -38(3) . . . . ?
C3_21 C1_21 C2_21 F1_21 85(3) . . . . ?
O1_21 C1_21 C2_21 F2_21 -42(3) . . . . ?
C4_21 C1_21 C2_21 F2_21 77(2) . . . . ?
C3_21 C1_21 C2_21 F2_21 -160(2) . . . . ?
O1_21 C1_21 C2_21 F3_21 78(3) . . . . ?
C4_21 C1_21 C2_21 F3_21 -162(2) . . . . ?
C3_21 C1_21 C2_21 F3_21 -39(2) . . . . ?
O1_21 C1_21 C3_21 F4_21 -165(2) . . . . ?
C4_21 C1_21 C3_21 F4_21 74(2) . . . . ?
C2_21 C1_21 C3_21 F4_21 -46(2) . . . . ?
O1_21 C1_21 C3_21 F5_21 -47(3) . . . . ?
C4_21 C1_21 C3_21 F5_21 -167(2) . . . . ?
C2_21 C1_21 C3_21 F5_21 72(3) . . . . ?
O1_21 C1_21 C3_21 F6_21 75(3) . . . . ?
C4_21 C1_21 C3_21 F6_21 -46(3) . . . . ?
C2_21 C1_21 C3_21 F6_21 -167(2) . . . . ?
O1_21 C1_21 C4_21 F8_21 -164(2) . . . . ?
C3_21 C1_21 C4_21 F8_21 -44(2) . . . . ?
C2_21 C1_21 C4_21 F8_21 76(2) . . . . ?
O1_21 C1_21 C4_21 F9_21 73(3) . . . . ?
C3_21 C1_21 C4_21 F9_21 -167(2) . . . . ?
C2_21 C1_21 C4_21 F9_21 -46(2) . . . . ?
O1_21 C1_21 C4_21 F7_21 -46(3) . . . . ?
C3_21 C1_21 C4_21 F7_21 74(2) . . . . ?
C2_21 C1_21 C4_21 F7_21 -165(2) . . . . ?
Al2 O1_22 C1_22 C4_22 59(6) . . . . ?
Al2 O1_22 C1_22 C3_22 -63(6) . . . . ?
Al2 O1_22 C1_22 C2_22 179(5) . . . . ?
O1_22 C1_22 C2_22 F2_22 72(2) . . . . ?
C4_22 C1_22 C2_22 F2_22 -164.5(19) . . . . ?
C3_22 C1_22 C2_22 F2_22 -49(2) . . . . ?
O1_22 C1_22 C2_22 F3_22 -167(2) . . . . ?
C4_22 C1_22 C2_22 F3_22 -43(2) . . . . ?
C3_22 C1_22 C2_22 F3_22 72(2) . . . . ?
O1_22 C1_22 C2_22 F1_22 -43(3) . . . . ?
C4_22 C1_22 C2_22 F1_22 81(2) . . . . ?
C3_22 C1_22 C2_22 F1_22 -164(2) . . . . ?
O1_22 C1_22 C3_22 F4_22 74(2) . . . . ?
C4_22 C1_22 C3_22 F4_22 -50(2) . . . . ?
C2_22 C1_22 C3_22 F4_22 -165.1(19) . . . . ?
O1_22 C1_22 C3_22 F5_22 -53(3) . . . . ?
C4_22 C1_22 C3_22 F5_22 -178(2) . . . . ?
C2_22 C1_22 C3_22 F5_22 67(2) . . . . ?
O1_22 C1_22 C3_22 F6_22 -164(2) . . . . ?
C4_22 C1_22 C3_22 F6_22 72(2) . . . . ?
C2_22 C1_22 C3_22 F6_22 -43(2) . . . . ?
O1_22 C1_22 C4_22 F8_22 -164(2) . . . . ?
C3_22 C1_22 C4_22 F8_22 -41(2) . . . . ?
C2_22 C1_22 C4_22 F8_22 73(2) . . . . ?
O1_22 C1_22 C4_22 F7_22 -41(3) . . . . ?
C3_22 C1_22 C4_22 F7_22 82(2) . . . . ?
C2_22 C1_22 C4_22 F7_22 -163.3(19) . . . . ?
O1_22 C1_22 C4_22 F9_22 78(2) . . . . ?
C3_22 C1_22 C4_22 F9_22 -159.0(19) . . . . ?
C2_22 C1_22 C4_22 F9_22 -45(2) . . . . ?
O1_21 Al2 O1_23 C1_23 -47(4) . . . . ?
O1_22 Al2 O1_23 C1_23 -154(3) . . . . ?
Al2 O1_23 C1_23 C3_23 -60(4) . . . . ?
Al2 O1_23 C1_23 C2_23 180(3) . . . . ?
Al2 O1_23 C1_23 C4_23 61(4) . . . . ?
O1_23 C1_23 C2_23 F1_23 -75(2) . . . . ?
C3_23 C1_23 C2_23 F1_23 165.9(19) . . . . ?
C4_23 C1_23 C2_23 F1_23 43(2) . . . . ?
O1_23 C1_23 C2_23 F2_23 167(2) . . . . ?
C3_23 C1_23 C2_23 F2_23 48(2) . . . . ?
C4_23 C1_23 C2_23 F2_23 -75(2) . . . . ?
O1_23 C1_23 C2_23 F3_23 44(2) . . . . ?
C3_23 C1_23 C2_23 F3_23 -75(2) . . . . ?
C4_23 C1_23 C2_23 F3_23 162.3(19) . . . . ?
O1_23 C1_23 C3_23 F4_23 40(3) . . . . ?
C2_23 C1_23 C3_23 F4_23 157(2) . . . . ?
C4_23 C1_23 C3_23 F4_23 -81(2) . . . . ?
O1_23 C1_23 C3_23 F6_23 166(2) . . . . ?
C2_23 C1_23 C3_23 F6_23 -77(2) . . . . ?
C4_23 C1_23 C3_23 F6_23 46(2) . . . . ?
O1_23 C1_23 C3_23 F5_23 -76(2) . . . . ?
C2_23 C1_23 C3_23 F5_23 42(2) . . . . ?
C4_23 C1_23 C3_23 F5_23 164(2) . . . . ?
O1_23 C1_23 C4_23 F9_23 43(3) . . . . ?
C3_23 C1_23 C4_23 F9_23 163(2) . . . . ?
C2_23 C1_23 C4_23 F9_23 -74(2) . . . . ?
O1_23 C1_23 C4_23 F7_23 -81(2) . . . . ?
C3_23 C1_23 C4_23 F7_23 39(2) . . . . ?
C2_23 C1_23 C4_23 F7_23 161.6(19) . . . . ?
O1_23 C1_23 C4_23 F8_23 160(2) . . . . ?
C3_23 C1_23 C4_23 F8_23 -80(2) . . . . ?
C2_23 C1_23 C4_23 F8_23 43(2) . . . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P-1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2488260'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs university Freiburg
Germany
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C96 H107 Al2 F72 Ga2 N O8 P4'
_chemical_formula_moiety         '2(C16 Al F36 O4), C64 H107 Ga2 N P4'
_chemical_formula_weight         3088.10
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.468(5)
_cell_length_b                   18.034(4)
_cell_length_c                   22.835(5)
_cell_angle_alpha                81.311(12)
_cell_angle_beta                 72.120(5)
_cell_angle_gamma                86.298(8)
_cell_volume                     5992(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9972
_cell_measurement_theta_min      2.5545
_cell_measurement_theta_max      27.5195
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated solution of the compounds in oDFB with n-pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_F_000             3100
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.263
_exptl_crystal_size_min          0.214
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6343
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            412837
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_theta_min         1.383
_diffrn_reflns_theta_max         27.590
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             27702
_reflns_number_gt                24309
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS 8.5.5.6/2024-10-24 and APEX6 2024.9-1'
_computing_cell_refinement       'SAINT V8.41'
_computing_data_reduction        'SAINT V8.41'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0588P)²+8.3371P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         27702
_refine_ls_number_parameters     2160
_refine_ls_number_restraints     24108
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1171
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      0.910
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.579
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.63548(2) 0.74652(2) 0.72691(2) 0.01931(6) Uani 1 1 d . . . . .
H1 H 0.6643(19) 0.8222(16) 0.7015(13) 0.029 Uiso 1 1 d . U . . .
Ga2 Ga 0.49224(2) 0.73993(2) 0.81469(2) 0.01957(6) Uani 1 1 d . . . . .
P1 P 0.77595(4) 0.68279(3) 0.73812(2) 0.01955(10) Uani 1 1 d D . . . .
P2 P 0.66295(4) 0.68286(3) 0.63550(3) 0.02091(11) Uani 1 1 d D . . . .
P4 P 0.45726(4) 0.84507(3) 0.87912(3) 0.02062(11) Uani 1 1 d D . . . .
P3 P 0.35236(4) 0.78385(3) 0.78813(3) 0.02261(11) Uani 1 1 d D . . . .
Al1 Al 0.76416(4) 0.25986(4) 0.57348(3) 0.02165(13) Uani 1 1 d . . . . .
Al2 Al 0.13192(5) 0.21963(4) 0.84916(4) 0.03017(16) Uani 1 1 d . . . . .
N1 N 0.46897(14) 0.65641(11) 0.87994(9) 0.0278(4) Uani 1 1 d . . . . .
C4 C 0.35184(15) 0.88853(13) 0.86717(11) 0.0248(4) Uani 1 1 d . . . . .
H4A H 0.316890 0.910711 0.904761 0.030 Uiso 1 1 calc R U . . .
H4B H 0.367696 0.929730 0.831980 0.030 Uiso 1 1 calc R U . . .
C3 C 0.29155(14) 0.83287(13) 0.85370(10) 0.0240(4) Uani 1 1 d . . . . .
H3A H 0.238532 0.860344 0.844719 0.029 Uiso 1 1 calc R U . . .
H3B H 0.268534 0.795580 0.891137 0.029 Uiso 1 1 calc R U . . .
C1 C 0.81839(15) 0.63398(14) 0.66930(11) 0.0277(5) Uani 1 1 d . . . . .
H1A H 0.858082 0.668260 0.634995 0.033 Uiso 1 1 calc R U . . .
H1B H 0.856042 0.590157 0.679014 0.033 Uiso 1 1 calc R U . . .
C2 C 0.74377(17) 0.60704(14) 0.64710(12) 0.0307(5) Uani 1 1 d . . . . .
H2A H 0.710615 0.566006 0.678123 0.037 Uiso 1 1 calc R U . . .
H2B H 0.771839 0.586657 0.607499 0.037 Uiso 1 1 calc R U . . .
O1_1 O 0.8177(7) 0.3192(5) 0.5067(5) 0.0267(14) Uani 0.712(3) 1 d D U P A 1
C1_1 C 0.8713(3) 0.3790(3) 0.4806(2) 0.0250(8) Uani 0.712(3) 1 d D U P A 1
C2_1 C 0.8226(3) 0.4529(2) 0.50194(19) 0.0352(7) Uani 0.712(3) 1 d D U P A 1
F1_1 F 0.7357(3) 0.4531(4) 0.5047(2) 0.0491(10) Uani 0.712(3) 1 d D U P A 1
F2_1 F 0.8596(6) 0.5140(4) 0.4647(3) 0.0449(12) Uani 0.712(3) 1 d D U P A 1
F3_1 F 0.82646(18) 0.45999(13) 0.55844(11) 0.0455(6) Uani 0.712(3) 1 d D U P A
1
C3_1 C 0.9625(3) 0.3681(3) 0.4968(2) 0.0332(8) Uani 0.712(3) 1 d D U P A 1
F4_1 F 1.01524(16) 0.31668(14) 0.46577(12) 0.0448(6) Uani 0.712(3) 1 d D U P A
1
F5_1 F 0.94732(19) 0.34495(19) 0.55681(12) 0.0445(7) Uani 0.712(3) 1 d D U P A
1
F6_1 F 1.0105(5) 0.4306(4) 0.4818(3) 0.0515(14) Uani 0.712(3) 1 d D U P A 1
C4_1 C 0.8921(3) 0.3845(2) 0.40874(17) 0.0337(8) Uani 0.712(3) 1 d D U P A 1
F7_1 F 0.9145(2) 0.31773(16) 0.39003(11) 0.0479(7) Uani 0.712(3) 1 d D U P A 1
F8_1 F 0.9606(4) 0.4306(3) 0.3773(3) 0.0462(12) Uani 0.712(3) 1 d D U P A 1
F9_1 F 0.81938(17) 0.40994(15) 0.39179(11) 0.0453(6) Uani 0.712(3) 1 d D U P A
1
O1_2 O 0.83368(12) 0.18668(10) 0.59072(8) 0.0302(4) Uani 1 1 d D U . B 1
C1_2 C 0.87382(17) 0.12044(13) 0.57614(11) 0.0297(5) Uani 1 1 d D U . B 1
C2_2 C 0.92767(19) 0.12659(14) 0.50596(12) 0.0344(5) Uani 1 1 d D U . B 1
F1_2 F 0.87931(12) 0.16476(9) 0.47176(7) 0.0412(4) Uani 1 1 d D U . B 1
F2_2 F 0.94925(14) 0.06011(10) 0.48630(8) 0.0495(4) Uani 1 1 d D U . B 1
F3_2 F 1.00474(12) 0.16325(11) 0.49325(8) 0.0478(4) Uani 1 1 d D U . B 1
C3_2 C 0.94002(18) 0.09973(14) 0.61598(12) 0.0338(5) Uani 1 1 d D U . B 1
F4_2 F 0.89368(12) 0.07345(10) 0.67417(8) 0.0431(4) Uani 1 1 d D U . B 1
F5_2 F 0.98383(11) 0.15948(9) 0.61779(7) 0.0373(3) Uani 1 1 d D U . B 1
F6_2 F 1.00224(12) 0.04774(10) 0.59388(9) 0.0469(4) Uani 1 1 d D U . B 1
C4_2 C 0.8031(2) 0.05724(15) 0.59143(15) 0.0424(6) Uani 1 1 d D U . B 1
F7_2 F 0.73844(13) 0.06418(12) 0.64358(9) 0.0555(5) Uani 1 1 d D U . B 1
F8_2 F 0.84181(15) -0.01152(9) 0.59675(10) 0.0566(5) Uani 1 1 d D U . B 1
F9_2 F 0.76382(13) 0.06014(10) 0.54657(10) 0.0515(4) Uani 1 1 d D U . B 1
O1_3 O 0.67288(12) 0.21851(10) 0.56379(8) 0.0302(4) Uani 1 1 d D U . C 1
C1_3 C 0.59992(18) 0.22605(15) 0.54268(13) 0.0360(6) Uani 1 1 d D U . C 1
C2_3 C 0.6299(2) 0.24982(16) 0.47115(14) 0.0402(6) Uani 1 1 d D U . C 1
F1_3 F 0.64753(11) 0.32260(9) 0.45668(8) 0.0424(4) Uani 1 1 d D U . C 1
F2_3 F 0.56559(15) 0.23726(12) 0.44550(10) 0.0624(6) Uani 1 1 d D U . C 1
F3_3 F 0.70408(14) 0.21290(11) 0.44345(8) 0.0514(4) Uani 1 1 d D U . C 1
C3_3 C 0.5536(2) 0.14854(19) 0.55817(19) 0.0589(10) Uani 1 1 d D U . C 1
F4_3 F 0.54927(15) 0.11733(12) 0.61544(11) 0.0694(7) Uani 1 1 d D U . C 1
F5_3 F 0.59932(18) 0.10136(11) 0.51940(13) 0.0720(7) Uani 1 1 d D U . C 1
F6_3 F 0.46880(15) 0.15396(14) 0.55420(13) 0.0817(8) Uani 1 1 d D U . C 1
C4_3 C 0.5310(2) 0.28491(19) 0.57499(15) 0.0500(8) Uani 1 1 d D U . C 1
F7_3 F 0.48852(14) 0.25865(14) 0.63354(10) 0.0704(7) Uani 1 1 d D U . C 1
F8_3 F 0.46761(13) 0.30531(13) 0.54635(11) 0.0674(6) Uani 1 1 d D U . C 1
F9_3 F 0.57414(14) 0.34632(11) 0.57469(9) 0.0548(5) Uani 1 1 d D U . C 1
O1_4 O 0.7342(4) 0.3154(4) 0.63413(19) 0.0225(9) Uani 0.791(4) 1 d D U P A 1
C1_4 C 0.7120(3) 0.3125(2) 0.6966(2) 0.0254(7) Uani 0.791(4) 1 d D U P A 1
C2_4 C 0.6796(2) 0.23328(17) 0.73129(13) 0.0296(6) Uani 0.791(4) 1 d D U P A 1
F1_4 F 0.6341(5) 0.2027(3) 0.7001(4) 0.0353(11) Uani 0.791(4) 1 d D U P A 1
F2_4 F 0.6248(4) 0.2353(3) 0.78918(17) 0.0367(9) Uani 0.791(4) 1 d D U P A 1
F3_4 F 0.7491(2) 0.18759(15) 0.73525(18) 0.0361(7) Uani 0.791(4) 1 d D U P A 1
C3_4 C 0.7957(2) 0.33424(19) 0.71436(14) 0.0339(7) Uani 0.791(4) 1 d D U P A 1
F4_4 F 0.8121(3) 0.4070(3) 0.6975(3) 0.0440(10) Uani 0.791(4) 1 d D U P A 1
F5_4 F 0.8695(3) 0.2978(3) 0.6859(3) 0.0429(10) Uani 0.791(4) 1 d D U P A 1
F6_4 F 0.7830(2) 0.31992(19) 0.77557(11) 0.0464(7) Uani 0.791(4) 1 d D U P A 1
C4_4 C 0.6329(2) 0.37053(18) 0.71680(15) 0.0337(7) Uani 0.791(4) 1 d D U P A 1
F7_4 F 0.6490(4) 0.4338(4) 0.6783(3) 0.0419(10) Uani 0.791(4) 1 d D U P A 1
F8_4 F 0.6216(2) 0.38732(18) 0.77406(12) 0.0471(7) Uani 0.791(4) 1 d D U P A 1
F9_4 F 0.55564(18) 0.34509(16) 0.71556(14) 0.0414(6) Uani 0.791(4) 1 d D U P A
1
O1_5 O 0.08204(19) 0.27627(15) 0.90459(12) 0.0312(6) Uani 0.861(4) 1 d D U P D
1
C1_5 C 0.0267(2) 0.27967(18) 0.96279(16) 0.0342(7) Uani 0.861(4) 1 d D U P D 1
C2_5 C 0.0631(3) 0.2287(2) 1.01136(18) 0.0571(9) Uani 0.861(4) 1 d D U P D 1
F1_5 F 0.0883(3) 0.16207(16) 0.99296(14) 0.0820(10) Uani 0.861(4) 1 d D U P D 1
F2_5 F -0.0001(3) 0.21740(16) 1.06696(12) 0.0740(9) Uani 0.861(4) 1 d D U P D 1
F3_5 F 0.1351(2) 0.2585(2) 1.01840(16) 0.0804(9) Uani 0.861(4) 1 d D U P D 1
C3_5 C 0.0228(3) 0.36192(19) 0.97496(16) 0.0451(8) Uani 0.861(4) 1 d D U P D 1
F4_5 F -0.0253(3) 0.40556(16) 0.94501(16) 0.0664(9) Uani 0.861(4) 1 d D U P D 1
F5_5 F 0.1048(3) 0.3901(2) 0.95555(18) 0.0680(10) Uani 0.861(4) 1 d D U P D 1
F6_5 F -0.0127(3) 0.3702(2) 1.03478(13) 0.0563(8) Uani 0.861(4) 1 d D U P D 1
C4_5 C -0.0706(3) 0.2567(3) 0.96885(19) 0.0567(9) Uani 0.861(4) 1 d D U P D 1
F7_5 F -0.0905(4) 0.2843(3) 0.9164(2) 0.0855(14) Uani 0.861(4) 1 d D U P D 1
F8_5 F -0.1342(2) 0.2838(2) 1.01559(17) 0.0680(11) Uani 0.861(4) 1 d D U P D 1
F9_5 F -0.0786(3) 0.1832(2) 0.97770(18) 0.0907(13) Uani 0.861(4) 1 d D U P D 1
O1_6 O 0.22740(12) 0.17327(10) 0.86079(9) 0.0350(4) Uani 1 1 d D U . E 1
C1_6 C 0.31657(18) 0.17316(14) 0.85430(15) 0.0393(6) Uani 1 1 d D U . E 1
C2_6 C 0.3346(2) 0.12167(18) 0.91014(17) 0.0528(8) Uani 1 1 d D U . E 1
F1_6 F 0.31085(17) 0.15708(13) 0.96014(11) 0.0683(6) Uani 1 1 d D U . E 1
F2_6 F 0.42192(15) 0.10020(13) 0.90024(13) 0.0744(7) Uani 1 1 d D U . E 1
F3_6 F 0.28612(16) 0.05986(11) 0.92451(11) 0.0622(5) Uani 1 1 d D U . E 1
C3_6 C 0.37070(18) 0.14126(16) 0.79296(16) 0.0452(7) Uani 1 1 d D U . E 1
F4_6 F 0.34256(13) 0.17236(11) 0.74576(9) 0.0520(4) Uani 1 1 d D U . E 1
F5_6 F 0.35777(13) 0.06728(10) 0.80010(10) 0.0542(5) Uani 1 1 d D U . E 1
F6_6 F 0.46026(12) 0.15149(11) 0.77790(12) 0.0617(6) Uani 1 1 d D U . E 1
C4_6 C 0.35133(19) 0.25415(16) 0.85092(17) 0.0465(7) Uani 1 1 d D U . E 1
F7_6 F 0.36534(13) 0.29198(10) 0.79459(11) 0.0571(5) Uani 1 1 d D U . E 1
F8_6 F 0.42852(13) 0.25269(12) 0.86555(13) 0.0653(6) Uani 1 1 d D U . E 1
F9_6 F 0.28928(12) 0.29161(10) 0.89031(11) 0.0564(5) Uani 1 1 d D U . E 1
O1_7 O 0.16760(14) 0.27782(11) 0.77875(10) 0.0422(4) Uani 1 1 d D U . F 1
C1_7 C 0.1511(2) 0.33583(16) 0.73914(14) 0.0408(6) Uani 1 1 d D U . F 1
C2_7 C 0.1543(3) 0.41126(19) 0.76279(17) 0.0562(8) Uani 1 1 d D U . F 1
F1_7 F 0.07708(18) 0.42411(13) 0.80672(11) 0.0760(7) Uani 1 1 d D U . F 1
F2_7 F 0.1664(2) 0.46916(12) 0.71763(12) 0.0803(7) Uani 1 1 d D U . F 1
F3_7 F 0.22180(18) 0.41056(12) 0.78742(12) 0.0711(6) Uani 1 1 d D U . F 1
C3_7 C 0.2286(2) 0.3353(2) 0.67544(17) 0.0543(8) Uani 1 1 d D U . F 1
F4_7 F 0.24415(16) 0.26615(13) 0.66118(10) 0.0646(5) Uani 1 1 d D U . F 1
F5_7 F 0.30632(14) 0.35873(13) 0.68030(11) 0.0664(6) Uani 1 1 d D U . F 1
F6_7 F 0.20899(18) 0.37787(16) 0.62888(10) 0.0788(7) Uani 1 1 d D U . F 1
C4_7 C 0.0583(2) 0.3292(2) 0.72773(18) 0.0618(9) Uani 1 1 d D U . F 1
F7_7 F 0.06203(17) 0.27704(17) 0.69172(13) 0.0827(8) Uani 1 1 d D U . F 1
F8_7 F 0.03137(18) 0.39331(17) 0.70078(13) 0.0871(8) Uani 1 1 d D U . F 1
F9_7 F -0.00466(14) 0.30991(17) 0.78155(12) 0.0790(7) Uani 1 1 d D U . F 1
O1_8 O 0.05623(12) 0.15273(11) 0.85062(10) 0.0381(4) Uani 1 1 d D U . G 1
C1_8 C 0.04427(19) 0.08528(16) 0.83613(15) 0.0442(7) Uani 1 1 d D U . G 1
C2_8 C -0.0583(2) 0.0760(2) 0.8469(2) 0.0644(10) Uani 1 1 d D U . G 1
F1_8 F -0.10104(14) 0.06221(14) 0.90897(13) 0.0778(7) Uani 1 1 d D U . G 1
F2_8 F -0.07591(14) 0.02011(16) 0.82051(15) 0.0911(10) Uani 1 1 d D U . G 1
F3_8 F -0.09493(13) 0.13849(14) 0.82467(12) 0.0696(6) Uani 1 1 d D U . G 1
C3_8 C 0.0960(2) 0.0792(2) 0.76619(17) 0.0556(8) Uani 1 1 d D U . G 1
F4_8 F 0.17796(12) 0.10699(12) 0.75084(10) 0.0589(5) Uani 1 1 d D U . G 1
F5_8 F 0.05150(17) 0.11755(16) 0.72948(12) 0.0789(7) Uani 1 1 d D U . G 1
F6_8 F 0.10544(15) 0.00800(14) 0.75484(13) 0.0789(8) Uani 1 1 d D U . G 1
C4_8 C 0.0804(3) 0.02092(18) 0.8761(2) 0.0614(9) Uani 1 1 d D U . G 1
F7_8 F 0.17031(14) 0.01261(11) 0.85471(12) 0.0630(6) Uani 1 1 d D U . G 1
F8_8 F 0.04520(19) -0.04533(13) 0.87723(16) 0.0946(9) Uani 1 1 d D U . G 1
F9_8 F 0.0592(2) 0.03534(13) 0.93412(12) 0.0797(7) Uani 1 1 d D U . G 1
C1_10 C 0.53944(15) 0.92095(12) 0.86005(11) 0.0267(5) Uani 1 1 d D U . H 1
H1_10 H 0.513396 0.958541 0.889156 0.032 Uiso 1 1 calc R U . H 1
C2_10 C 0.55913(17) 0.96210(13) 0.79413(12) 0.0316(5) Uani 1 1 d D U . H 1
H2A_10 H 0.501865 0.982560 0.786740 0.038 Uiso 1 1 calc R U . H 1
H2B_10 H 0.586943 0.926962 0.763825 0.038 Uiso 1 1 calc R U . H 1
C3_10 C 0.62442(18) 1.02624(15) 0.78578(16) 0.0406(6) Uani 1 1 d D U . H 1
H3A_10 H 0.637357 1.053536 0.743099 0.049 Uiso 1 1 calc R U . H 1
H3B_10 H 0.595317 1.062028 0.815262 0.049 Uiso 1 1 calc R U . H 1
C4_10 C 0.7129(2) 0.99634(17) 0.7970(2) 0.0610(10) Uani 1 1 d D U . H 1
H4A_10 H 0.744559 0.964086 0.765163 0.073 Uiso 1 1 calc R U . H 1
H4B_10 H 0.752733 1.038876 0.792880 0.073 Uiso 1 1 calc R U . H 1
C5_10 C 0.6965(2) 0.95173(17) 0.8607(2) 0.0590(10) Uani 1 1 d D U . H 1
H5A_10 H 0.673460 0.985745 0.892513 0.071 Uiso 1 1 calc R U . H 1
H5B_10 H 0.754729 0.929093 0.864862 0.071 Uiso 1 1 calc R U . H 1
C6_10 C 0.62815(17) 0.88973(14) 0.87198(16) 0.0394(6) Uani 1 1 d D U . H 1
H6A_10 H 0.614696 0.864843 0.915438 0.047 Uiso 1 1 calc R U . H 1
H6B_10 H 0.655056 0.851606 0.844237 0.047 Uiso 1 1 calc R U . H 1
C1_11 C 0.42828(16) 0.81786(14) 0.96442(10) 0.0284(5) Uani 1 1 d D U . I 1
H1_11 H 0.478492 0.784165 0.972516 0.034 Uiso 1 1 calc R U . I 1
C2_11 C 0.34095(18) 0.77220(18) 0.98844(12) 0.0395(6) Uani 1 1 d D U . I 1
H2A_11 H 0.290138 0.803429 0.979694 0.047 Uiso 1 1 calc R U . I 1
H2B_11 H 0.348880 0.728035 0.966149 0.047 Uiso 1 1 calc R U . I 1
C3_11 C 0.3173(2) 0.7458(2) 1.05848(14) 0.0594(10) Uani 1 1 d D U . I 1
H3A_11 H 0.260131 0.717392 1.072881 0.071 Uiso 1 1 calc R U . I 1
H3B_11 H 0.366227 0.712104 1.067338 0.071 Uiso 1 1 calc R U . I 1
C4_11 C 0.3063(3) 0.8131(3) 1.09244(14) 0.0746(13) Uani 1 1 d D U . I 1
H4A_11 H 0.290674 0.796345 1.137707 0.089 Uiso 1 1 calc R U . I 1
H4B_11 H 0.256117 0.845901 1.084481 0.089 Uiso 1 1 calc R U . I 1
C5_11 C 0.3936(3) 0.8567(2) 1.07075(15) 0.0657(11) Uani 1 1 d D U . I 1
H5A_11 H 0.442945 0.824214 1.080304 0.079 Uiso 1 1 calc R U . I 1
H5B_11 H 0.385646 0.900231 1.093787 0.079 Uiso 1 1 calc R U . I 1
C6_11 C 0.4212(2) 0.88491(18) 1.00024(13) 0.0451(7) Uani 1 1 d D U . I 1
H6A_11 H 0.375274 0.921690 0.990869 0.054 Uiso 1 1 calc R U . I 1
H6B_11 H 0.480423 0.910120 0.987215 0.054 Uiso 1 1 calc R U . I 1
C1_12 C 0.3609(3) 0.8460(3) 0.7140(2) 0.0219(9) Uani 0.484(4) 1 d D U P J 1
H1_12 H 0.369880 0.812729 0.681269 0.026 Uiso 0.484(4) 1 calc R U P J 1
C2_12 C 0.2763(3) 0.8946(3) 0.7138(2) 0.0263(10) Uani 0.484(4) 1 d D U P J 1
H2A_12 H 0.265399 0.929135 0.745263 0.032 Uiso 0.484(4) 1 calc R U P J 1
H2B_12 H 0.222778 0.862216 0.724842 0.032 Uiso 0.484(4) 1 calc R U P J 1
C3_12 C 0.2888(4) 0.9406(3) 0.6487(2) 0.0327(11) Uani 0.484(4) 1 d D U P J 1
H3A_12 H 0.293768 0.905973 0.618007 0.039 Uiso 0.484(4) 1 calc R U P J 1
H3B_12 H 0.234902 0.973710 0.649807 0.039 Uiso 0.484(4) 1 calc R U P J 1
C4_12 C 0.3734(4) 0.9878(3) 0.6288(3) 0.0340(12) Uani 0.484(4) 1 d D U P J 1
H4A_12 H 0.381867 1.014188 0.586148 0.041 Uiso 0.484(4) 1 calc R U P J 1
H4B_12 H 0.365536 1.026197 0.656856 0.041 Uiso 0.484(4) 1 calc R U P J 1
C5_12 C 0.4571(4) 0.9398(3) 0.6302(3) 0.0320(11) Uani 0.484(4) 1 d D U P J 1
H5A_12 H 0.510622 0.972329 0.618787 0.038 Uiso 0.484(4) 1 calc R U P J 1
H5B_12 H 0.468357 0.904557 0.599262 0.038 Uiso 0.484(4) 1 calc R U P J 1
C6_12 C 0.4452(3) 0.8954(3) 0.6948(2) 0.0279(10) Uani 0.484(4) 1 d D U P J 1
H6A_12 H 0.438317 0.930594 0.725370 0.033 Uiso 0.484(4) 1 calc R U P J 1
H6B_12 H 0.499874 0.863475 0.694312 0.033 Uiso 0.484(4) 1 calc R U P J 1
C1_14 C 0.3944(4) 0.8645(2) 0.7255(2) 0.0245(9) Uani 0.516(4) 1 d D U P J 2
H1_14 H 0.445021 0.886650 0.735422 0.029 Uiso 0.516(4) 1 calc R U P J 2
C2_14 C 0.3242(3) 0.9276(2) 0.7238(2) 0.0301(10) Uani 0.516(4) 1 d D U P J 2
H2A_14 H 0.304053 0.946669 0.764395 0.036 Uiso 0.516(4) 1 calc R U P J 2
H2B_14 H 0.270470 0.907511 0.717014 0.036 Uiso 0.516(4) 1 calc R U P J 2
C3_14 C 0.3622(4) 0.9927(3) 0.6722(2) 0.0364(11) Uani 0.516(4) 1 d D U P J 2
H3A_14 H 0.313705 1.031044 0.671060 0.044 Uiso 0.516(4) 1 calc R U P J 2
H3B_14 H 0.411864 1.016493 0.681071 0.044 Uiso 0.516(4) 1 calc R U P J 2
C4_14 C 0.3981(4) 0.9642(3) 0.6093(3) 0.0360(12) Uani 0.516(4) 1 d D U P J 2
H4A_14 H 0.347968 0.942343 0.599477 0.043 Uiso 0.516(4) 1 calc R U P J 2
H4B_14 H 0.423100 1.006340 0.576390 0.043 Uiso 0.516(4) 1 calc R U P J 2
C5_14 C 0.4719(3) 0.9050(3) 0.6114(2) 0.0293(10) Uani 0.516(4) 1 d D U P J 2
H5A_14 H 0.522880 0.927728 0.619597 0.035 Uiso 0.516(4) 1 calc R U P J 2
H5B_14 H 0.495368 0.886761 0.570553 0.035 Uiso 0.516(4) 1 calc R U P J 2
C6_14 C 0.4362(3) 0.8383(2) 0.66210(18) 0.0235(9) Uani 0.516(4) 1 d D U P J 2
H6A_14 H 0.389830 0.812070 0.651559 0.028 Uiso 0.516(4) 1 calc R U P J 2
H6B_14 H 0.486761 0.802352 0.663845 0.028 Uiso 0.516(4) 1 calc R U P J 2
C1_13 C 0.2659(3) 0.7102(3) 0.7915(2) 0.0210(10) Uani 0.526(4) 1 d D U P J 1
H1_13 H 0.281337 0.663902 0.816726 0.025 Uiso 0.526(4) 1 calc R U P J 1
C2_13 C 0.2770(3) 0.6885(2) 0.72678(19) 0.0252(9) Uani 0.526(4) 1 d D U P J 1
H2A_13 H 0.258538 0.731559 0.700512 0.030 Uiso 0.526(4) 1 calc R U P J 1
H2B_13 H 0.341693 0.676332 0.706606 0.030 Uiso 0.526(4) 1 calc R U P J 1
C3_13 C 0.2190(3) 0.6208(3) 0.7321(2) 0.0303(10) Uani 0.526(4) 1 d D U P J 1
H3A_13 H 0.227110 0.607506 0.690162 0.036 Uiso 0.526(4) 1 calc R U P J 1
H3B_13 H 0.238835 0.577187 0.757070 0.036 Uiso 0.526(4) 1 calc R U P J 1
C4_13 C 0.1194(4) 0.6390(4) 0.7626(3) 0.0293(13) Uani 0.526(4) 1 d D U P J 1
H4A_13 H 0.082519 0.594574 0.766632 0.035 Uiso 0.526(4) 1 calc R U P J 1
H4B_13 H 0.098705 0.680569 0.736189 0.035 Uiso 0.526(4) 1 calc R U P J 1
C5_13 C 0.1056(3) 0.6613(3) 0.8265(2) 0.0287(9) Uani 0.526(4) 1 d D U P J 1
H5A_13 H 0.120860 0.618003 0.853990 0.034 Uiso 0.526(4) 1 calc R U P J 1
H5B_13 H 0.040842 0.675043 0.844774 0.034 Uiso 0.526(4) 1 calc R U P J 1
C6_13 C 0.1652(3) 0.7282(3) 0.8231(2) 0.0274(9) Uani 0.526(4) 1 d D U P J 1
H6A_13 H 0.145613 0.773238 0.799387 0.033 Uiso 0.526(4) 1 calc R U P J 1
H6B_13 H 0.157406 0.739389 0.865616 0.033 Uiso 0.526(4) 1 calc R U P J 1
C1_15 C 0.2823(4) 0.7240(3) 0.7683(3) 0.0247(12) Uani 0.474(4) 1 d D U P J 2
H1_15 H 0.322399 0.693346 0.737146 0.030 Uiso 0.474(4) 1 calc R U P J 2
C2_15 C 0.2114(3) 0.7647(3) 0.7403(2) 0.0269(10) Uani 0.474(4) 1 d D U P J 2
H2A_15 H 0.241820 0.798688 0.702102 0.032 Uiso 0.474(4) 1 calc R U P J 2
H2B_15 H 0.169959 0.795131 0.770241 0.032 Uiso 0.474(4) 1 calc R U P J 2
C3_15 C 0.1577(4) 0.7061(3) 0.7248(3) 0.0345(11) Uani 0.474(4) 1 d D U P J 2
H3A_15 H 0.199353 0.678058 0.692961 0.041 Uiso 0.474(4) 1 calc R U P J 2
H3B_15 H 0.111125 0.731880 0.706979 0.041 Uiso 0.474(4) 1 calc R U P J 2
C4_15 C 0.1111(5) 0.6507(4) 0.7820(4) 0.0347(16) Uani 0.474(4) 1 d D U P J 2
H4A_15 H 0.065063 0.677711 0.812333 0.042 Uiso 0.474(4) 1 calc R U P J 2
H4B_15 H 0.079512 0.612495 0.769507 0.042 Uiso 0.474(4) 1 calc R U P J 2
C5_15 C 0.1804(4) 0.6121(3) 0.8121(3) 0.0368(12) Uani 0.474(4) 1 d D U P J 2
H5A_15 H 0.148699 0.579215 0.850555 0.044 Uiso 0.474(4) 1 calc R U P J 2
H5B_15 H 0.222165 0.580266 0.783392 0.044 Uiso 0.474(4) 1 calc R U P J 2
C6_15 C 0.2350(3) 0.6696(3) 0.8275(3) 0.0324(11) Uani 0.474(4) 1 d D U P J 2
H6A_15 H 0.281358 0.643435 0.845349 0.039 Uiso 0.474(4) 1 calc R U P J 2
H6B_15 H 0.194033 0.698485 0.858993 0.039 Uiso 0.474(4) 1 calc R U P J 2
C1_16 C 0.40785(18) 0.59825(14) 0.88385(12) 0.0348(5) Uani 1 1 d D U . K 1
C2_16 C 0.3239(3) 0.5900(2) 0.92973(18) 0.0709(13) Uani 1 1 d D U . K 1
H2_16 H 0.306228 0.623024 0.960250 0.085 Uiso 1 1 calc R U . K 1
C3_16 C 0.2660(3) 0.5335(2) 0.9308(2) 0.0817(15) Uani 1 1 d D U . K 1
H3_16 H 0.209261 0.528140 0.962462 0.098 Uiso 1 1 calc R U . K 1
C4_16 C 0.2898(2) 0.48515(18) 0.88672(15) 0.0537(8) Uani 1 1 d D U . K 1
H4_16 H 0.249401 0.447286 0.887433 0.064 Uiso 1 1 calc R U . K 1
C5_16 C 0.3726(2) 0.49260(15) 0.84183(13) 0.0401(6) Uani 1 1 d D U . K 1
H5_16 H 0.389869 0.459421 0.811422 0.048 Uiso 1 1 calc R U . K 1
C6_16 C 0.43150(18) 0.54848(14) 0.84057(12) 0.0313(5) Uani 1 1 d D U . K 1
H6_16 H 0.488874 0.552541 0.809504 0.038 Uiso 1 1 calc R U . K 1
C1_17 C 0.51845(17) 0.64925(12) 0.92241(11) 0.0282(5) Uani 1 1 d D U . L 1
C2_17 C 0.59497(16) 0.69348(12) 0.91030(10) 0.0255(4) Uani 1 1 d D U . L 1
H2_17 H 0.613937 0.726027 0.872078 0.031 Uiso 1 1 calc R U . L 1
C3_17 C 0.64379(18) 0.69121(14) 0.95233(11) 0.0322(5) Uani 1 1 d D U . L 1
H3_17 H 0.694491 0.722721 0.943125 0.039 Uiso 1 1 calc R U . L 1
C4_17 C 0.6185(2) 0.64285(17) 1.00789(13) 0.0453(7) Uani 1 1 d D U . L 1
H4_17 H 0.651275 0.641118 1.037114 0.054 Uiso 1 1 calc R U . L 1
C5_17 C 0.5448(3) 0.59726(17) 1.01990(13) 0.0494(7) Uani 1 1 d D U . L 1
H5_17 H 0.527979 0.563278 1.057421 0.059 Uiso 1 1 calc R U . L 1
C6_17 C 0.4951(2) 0.59994(15) 0.97862(12) 0.0422(6) Uani 1 1 d D U . L 1
H6_17 H 0.444555 0.568139 0.988298 0.051 Uiso 1 1 calc R U . L 1
O1_18 O 0.8076(16) 0.3172(12) 0.5043(13) 0.023(3) Uani 0.288(3) 1 d D U P A 2
C1_18 C 0.8641(8) 0.3734(7) 0.4734(5) 0.0278(17) Uani 0.288(3) 1 d D U P A 2
C2_18 C 0.8057(6) 0.4467(5) 0.4690(4) 0.0386(16) Uani 0.288(3) 1 d D U P A 2
F1_18 F 0.7615(4) 0.4461(3) 0.4275(3) 0.0494(16) Uani 0.288(3) 1 d D U P A 2
F2_18 F 0.8567(15) 0.5074(10) 0.4513(8) 0.049(3) Uani 0.288(3) 1 d D U P A 2
F3_18 F 0.7453(9) 0.4504(10) 0.5244(5) 0.060(3) Uani 0.288(3) 1 d D U P A 2
C3_18 C 0.9350(7) 0.3843(6) 0.5059(5) 0.0405(19) Uani 0.288(3) 1 d D U P A 2
F4_18 F 0.9648(5) 0.3197(4) 0.5292(5) 0.0535(19) Uani 0.288(3) 1 d D U P A 2
F5_18 F 0.9006(5) 0.4225(4) 0.5543(3) 0.0557(18) Uani 0.288(3) 1 d D U P A 2
F6_18 F 1.0064(13) 0.4228(12) 0.4682(8) 0.055(3) Uani 0.288(3) 1 d D U P A 2
C4_18 C 0.9135(6) 0.3546(6) 0.4064(4) 0.0347(16) Uani 0.288(3) 1 d D U P A 2
F7_18 F 0.9804(4) 0.3052(3) 0.4083(3) 0.0463(15) Uani 0.288(3) 1 d D U P A 2
F8_18 F 0.9502(12) 0.4149(8) 0.3676(7) 0.052(3) Uani 0.288(3) 1 d D U P A 2
F9_18 F 0.8570(5) 0.3244(4) 0.3846(3) 0.0423(13) Uani 0.288(3) 1 d D U P A 2
O1_19 O 0.7451(19) 0.3045(16) 0.6320(7) 0.028(3) Uani 0.209(4) 1 d D U P A 2
C1_19 C 0.7197(8) 0.3052(7) 0.6941(7) 0.0271(18) Uani 0.209(4) 1 d D U P A 2
C2_19 C 0.7945(7) 0.2622(6) 0.7200(5) 0.0333(18) Uani 0.209(4) 1 d D U P A 2
F1_19 F 0.7842(7) 0.1893(6) 0.7266(7) 0.037(2) Uani 0.209(4) 1 d D U P A 2
F2_19 F 0.7912(8) 0.2812(6) 0.7752(4) 0.043(2) Uani 0.209(4) 1 d D U P A 2
F3_19 F 0.8757(10) 0.2787(10) 0.6810(10) 0.039(3) Uani 0.209(4) 1 d D U P A 2
C3_19 C 0.7114(8) 0.3874(6) 0.7077(5) 0.0370(19) Uani 0.209(4) 1 d D U P A 2
F4_19 F 0.6689(16) 0.4322(13) 0.6728(12) 0.044(4) Uani 0.209(4) 1 d D U P A 2
F5_19 F 0.7920(10) 0.4188(10) 0.6943(11) 0.040(3) Uani 0.209(4) 1 d D U P A 2
F6_19 F 0.6681(9) 0.3915(7) 0.7669(4) 0.053(3) Uani 0.209(4) 1 d D U P A 2
C4_19 C 0.6265(7) 0.2672(6) 0.7266(5) 0.0333(18) Uani 0.209(4) 1 d D U P A 2
F7_19 F 0.5581(6) 0.3105(6) 0.7176(6) 0.043(2) Uani 0.209(4) 1 d D U P A 2
F8_19 F 0.6117(17) 0.2513(14) 0.7880(6) 0.042(4) Uani 0.209(4) 1 d D U P A 2
F9_19 F 0.623(2) 0.2030(12) 0.7061(16) 0.040(4) Uani 0.209(4) 1 d D U P A 2
C1_9 C 0.72369(17) 0.74839(15) 0.56847(11) 0.0324(5) Uani 1 1 d D U . M 1
H1_9 H 0.773917 0.768410 0.580239 0.039 Uiso 1 1 calc R U . M 1
C2_9 C 0.6630(2) 0.81577(16) 0.55749(13) 0.0455(7) Uani 1 1 d D U . M 1
H2A_9 H 0.635276 0.836780 0.596830 0.055 Uiso 1 1 calc R U . M 1
H2B_9 H 0.613473 0.799629 0.543555 0.055 Uiso 1 1 calc R U . M 1
C3_9 C 0.7188(4) 0.8764(2) 0.50794(15) 0.0735(13) Uani 1 1 d D U . M 1
H3A_9 H 0.678050 0.918431 0.499339 0.088 Uiso 1 1 calc R U . M 1
H3B_9 H 0.764269 0.896269 0.523738 0.088 Uiso 1 1 calc R U . M 1
C4_9 C 0.7671(3) 0.8440(2) 0.44808(14) 0.0702(12) Uani 1 1 d D U . M 1
H4A_9 H 0.721310 0.829818 0.429742 0.084 Uiso 1 1 calc R U . M 1
H4B_9 H 0.805879 0.882812 0.417896 0.084 Uiso 1 1 calc R U . M 1
C5_9 C 0.8253(2) 0.7757(3) 0.45944(14) 0.0701(12) Uani 1 1 d D U . M 1
H5A_9 H 0.853126 0.754774 0.420064 0.084 Uiso 1 1 calc R U . M 1
H5B_9 H 0.874938 0.790674 0.473902 0.084 Uiso 1 1 calc R U . M 1
C6_9 C 0.76908(19) 0.7163(2) 0.50761(12) 0.0461(7) Uani 1 1 d D U . M 1
H6A_9 H 0.808513 0.672815 0.515190 0.055 Uiso 1 1 calc R U . M 1
H6B_9 H 0.721963 0.698826 0.492034 0.055 Uiso 1 1 calc R U . M 1
C1_20 C 0.86847(14) 0.74559(12) 0.73213(10) 0.0223(4) Uani 1 1 d D U . N 1
H1_20 H 0.925410 0.714205 0.726251 0.027 Uiso 1 1 calc R U . N 1
C2_20 C 0.85270(16) 0.77979(14) 0.79236(11) 0.0281(5) Uani 1 1 d D U . N 1
H2A_20 H 0.796553 0.811259 0.799853 0.034 Uiso 1 1 calc R U . N 1
H2B_20 H 0.844560 0.739104 0.827836 0.034 Uiso 1 1 calc R U . N 1
C3_20 C 0.93329(18) 0.82766(15) 0.78800(13) 0.0345(5) Uani 1 1 d D U . N 1
H3A_20 H 0.919868 0.851860 0.826043 0.041 Uiso 1 1 calc R U . N 1
H3B_20 H 0.987800 0.794902 0.785584 0.041 Uiso 1 1 calc R U . N 1
C4_20 C 0.95313(18) 0.88801(14) 0.73123(14) 0.0367(6) Uani 1 1 d D U . N 1
H4A_20 H 0.902061 0.924937 0.736480 0.044 Uiso 1 1 calc R U . N 1
H4B_20 H 1.008638 0.914804 0.727998 0.044 Uiso 1 1 calc R U . N 1
C5_20 C 0.96641(17) 0.85452(15) 0.67163(12) 0.0339(5) Uani 1 1 d D U . N 1
H5A_20 H 1.022025 0.822401 0.663577 0.041 Uiso 1 1 calc R U . N 1
H5B_20 H 0.974687 0.895434 0.636319 0.041 Uiso 1 1 calc R U . N 1
C6_20 C 0.88513(17) 0.80795(14) 0.67612(12) 0.0310(5) Uani 1 1 d D U . N 1
H6A_20 H 0.896590 0.785270 0.637502 0.037 Uiso 1 1 calc R U . N 1
H6B_20 H 0.830359 0.840834 0.680614 0.037 Uiso 1 1 calc R U . N 1
C1_21 C 0.57210(15) 0.63690(13) 0.61849(10) 0.0251(4) Uani 1 1 d D U . O 1
H1_21 H 0.538042 0.676748 0.598591 0.030 Uiso 1 1 calc R U . O 1
C2_21 C 0.50497(18) 0.60020(17) 0.67888(12) 0.0376(6) Uani 1 1 d D U . O 1
H2A_21 H 0.537403 0.561786 0.700538 0.045 Uiso 1 1 calc R U . O 1
H2B_21 H 0.479407 0.638668 0.706543 0.045 Uiso 1 1 calc R U . O 1
C3_21 C 0.4276(2) 0.5635(2) 0.66558(16) 0.0627(10) Uani 1 1 d D U . O 1
H3A_21 H 0.386851 0.538481 0.705124 0.075 Uiso 1 1 calc R U . O 1
H3B_21 H 0.391699 0.602793 0.647690 0.075 Uiso 1 1 calc R U . O 1
C4_21 C 0.4624(3) 0.5063(2) 0.62107(17) 0.0653(11) Uani 1 1 d D U . O 1
H4A_21 H 0.492355 0.463894 0.640741 0.078 Uiso 1 1 calc R U . O 1
H4B_21 H 0.410744 0.486480 0.611625 0.078 Uiso 1 1 calc R U . O 1
C5_21 C 0.5294(2) 0.54154(16) 0.56149(14) 0.0422(7) Uani 1 1 d D U . O 1
H5A_21 H 0.497267 0.579673 0.539347 0.051 Uiso 1 1 calc R U . O 1
H5B_21 H 0.554519 0.502458 0.534372 0.051 Uiso 1 1 calc R U . O 1
C6_21 C 0.60734(18) 0.57857(14) 0.57358(13) 0.0334(5) Uani 1 1 d D U . O 1
H6A_21 H 0.647505 0.603361 0.533718 0.040 Uiso 1 1 calc R U . O 1
H6B_21 H 0.643744 0.539548 0.591363 0.040 Uiso 1 1 calc R U . O 1
C1_22 C 0.77095(14) 0.61136(12) 0.80571(10) 0.0228(4) Uani 1 1 d D U . P 1
H1_22 H 0.747573 0.637580 0.843266 0.027 Uiso 1 1 calc R U . P 1
C2_22 C 0.86398(16) 0.57673(15) 0.80694(13) 0.0344(5) Uani 1 1 d D U . P 1
H2A_22 H 0.889666 0.549120 0.770909 0.041 Uiso 1 1 calc R U . P 1
H2B_22 H 0.906335 0.617011 0.803895 0.041 Uiso 1 1 calc R U . P 1
C3_22 C 0.8536(2) 0.52312(16) 0.86723(14) 0.0428(7) Uani 1 1 d D U . P 1
H3A_22 H 0.913349 0.499497 0.866838 0.051 Uiso 1 1 calc R U . P 1
H3B_22 H 0.833071 0.551789 0.902932 0.051 Uiso 1 1 calc R U . P 1
C4_22 C 0.7855(2) 0.46225(15) 0.87513(14) 0.0454(7) Uani 1 1 d D U . P 1
H4A_22 H 0.777734 0.430236 0.915559 0.054 Uiso 1 1 calc R U . P 1
H4B_22 H 0.809240 0.430176 0.841877 0.054 Uiso 1 1 calc R U . P 1
C5_22 C 0.6935(2) 0.49598(15) 0.87243(13) 0.0397(6) Uani 1 1 d D U . P 1
H5A_22 H 0.666357 0.522920 0.908701 0.048 Uiso 1 1 calc R U . P 1
H5B_22 H 0.652263 0.455139 0.874816 0.048 Uiso 1 1 calc R U . P 1
C6_22 C 0.70229(17) 0.55037(14) 0.81264(12) 0.0319(5) Uani 1 1 d D U . P 1
H6A_22 H 0.642334 0.573986 0.813731 0.038 Uiso 1 1 calc R U . P 1
H6B_22 H 0.722631 0.522503 0.776445 0.038 Uiso 1 1 calc R U . P 1
O1_23 O 0.0837(12) 0.2595(11) 0.9262(8) 0.042(3) Uani 0.139(4) 1 d D U P D 2
C1_23 C 0.0212(10) 0.2739(8) 0.9787(7) 0.046(2) Uani 0.139(4) 1 d D U P D 2
C2_23 C 0.0628(11) 0.3213(9) 1.0143(7) 0.056(3) Uani 0.139(4) 1 d D U P D 2
F1_23 F 0.1102(14) 0.2778(12) 1.0465(9) 0.086(5) Uani 0.139(4) 1 d D U P D 2
F2_23 F -0.0008(14) 0.3547(12) 1.0556(9) 0.065(5) Uani 0.139(4) 1 d D U P D 2
F3_23 F 0.1182(16) 0.3722(13) 0.9765(10) 0.069(5) Uani 0.139(4) 1 d D U P D 2
C3_23 C -0.0644(10) 0.3116(10) 0.9641(8) 0.057(3) Uani 0.139(4) 1 d D U P D 2
F4_23 F -0.095(2) 0.2694(17) 0.9313(13) 0.077(5) Uani 0.139(4) 1 d D U P D 2
F5_23 F -0.0501(15) 0.3811(10) 0.9370(10) 0.071(5) Uani 0.139(4) 1 d D U P D 2
F6_23 F -0.1317(15) 0.3137(15) 1.0171(10) 0.074(6) Uani 0.139(4) 1 d D U P D 2
C4_23 C -0.0158(11) 0.2006(8) 1.0227(8) 0.065(3) Uani 0.139(4) 1 d D U P D 2
F7_23 F -0.0764(17) 0.1685(14) 1.0049(11) 0.093(6) Uani 0.139(4) 1 d D U P D 2
F8_23 F -0.0570(12) 0.2161(9) 1.0797(7) 0.062(4) Uani 0.139(4) 1 d D U P D 2
F9_23 F 0.0507(13) 0.1527(10) 1.0219(11) 0.092(5) Uani 0.139(4) 1 d D U P D 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 P2 2.4437(7) . ?
Ga1 P1 2.4572(8) . ?
Ga1 Ga2 2.4853(6) . ?
Ga1 H1 1.44(3) . ?
Ga2 N1 1.919(2) . ?
Ga2 P3 2.4732(9) . ?
Ga2 P4 2.5050(7) . ?
P1 C1 1.840(2) . ?
P1 C1_22 1.840(2) . ?
P1 C1_20 1.842(2) . ?
P2 C1_9 1.826(2) . ?
P2 C2 1.837(2) . ?
P2 C1_21 1.843(2) . ?
P4 C1_10 1.839(2) . ?
P4 C4 1.842(2) . ?
P4 C1_11 1.854(2) . ?
P3 C1_15 1.774(6) . ?
P3 C3 1.827(2) . ?
P3 C1_12 1.857(4) . ?
P3 C1_14 1.873(4) . ?
P3 C1_13 1.922(5) . ?
Al1 O1_19 1.603(19) . ?
Al1 O1_18 1.72(2) . ?
Al1 O1_2 1.7242(18) . ?
Al1 O1_3 1.7254(18) . ?
Al1 O1_1 1.733(8) . ?
Al1 O1_4 1.760(5) . ?
Al2 O1_5 1.712(3) . ?
Al2 O1_6 1.7220(19) . ?
Al2 O1_8 1.7244(19) . ?
Al2 O1_7 1.735(2) . ?
Al2 O1_23 1.917(16) . ?
N1 C1_17 1.396(3) . ?
N1 C1_16 1.432(3) . ?
C4 C3 1.537(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C1 C2 1.527(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
O1_1 C1_1 1.351(5) . ?
C1_1 C2_1 1.556(5) . ?
C1_1 C3_1 1.558(6) . ?
C1_1 C4_1 1.560(5) . ?
C2_1 F1_1 1.326(6) . ?
C2_1 F2_1 1.328(6) . ?
C2_1 F3_1 1.335(5) . ?
C3_1 F5_1 1.323(5) . ?
C3_1 F6_1 1.332(6) . ?
C3_1 F4_1 1.333(5) . ?
C4_1 F7_1 1.328(5) . ?
C4_1 F9_1 1.332(5) . ?
C4_1 F8_1 1.340(5) . ?
O1_2 C1_2 1.349(3) . ?
C1_2 C2_2 1.553(4) . ?
C1_2 C4_2 1.557(4) . ?
C1_2 C3_2 1.561(3) . ?
C2_2 F2_2 1.330(3) . ?
C2_2 F1_2 1.332(3) . ?
C2_2 F3_2 1.332(3) . ?
C3_2 F5_2 1.322(3) . ?
C3_2 F4_2 1.332(3) . ?
C3_2 F6_2 1.337(3) . ?
C4_2 F7_2 1.316(4) . ?
C4_2 F9_2 1.335(3) . ?
C4_2 F8_2 1.347(3) . ?
O1_3 C1_3 1.349(3) . ?
C1_3 C2_3 1.554(4) . ?
C1_3 C3_3 1.554(4) . ?
C1_3 C4_3 1.554(4) . ?
C2_3 F3_3 1.320(3) . ?
C2_3 F1_3 1.329(3) . ?
C2_3 F2_3 1.346(3) . ?
C3_3 F4_3 1.327(4) . ?
C3_3 F5_3 1.332(5) . ?
C3_3 F6_3 1.339(4) . ?
C4_3 F7_3 1.324(4) . ?
C4_3 F9_3 1.328(4) . ?
C4_3 F8_3 1.341(4) . ?
O1_4 C1_4 1.354(4) . ?
C1_4 C3_4 1.558(5) . ?
C1_4 C2_4 1.559(5) . ?
C1_4 C4_4 1.561(5) . ?
C2_4 F3_4 1.329(4) . ?
C2_4 F1_4 1.336(6) . ?
C2_4 F2_4 1.337(5) . ?
C3_4 F5_4 1.317(5) . ?
C3_4 F4_4 1.328(6) . ?
C3_4 F6_4 1.337(4) . ?
C4_4 F9_4 1.318(4) . ?
C4_4 F7_4 1.318(6) . ?
C4_4 F8_4 1.343(4) . ?
O1_5 C1_5 1.350(4) . ?
C1_5 C3_5 1.544(4) . ?
C1_5 C4_5 1.546(5) . ?
C1_5 C2_5 1.549(5) . ?
C2_5 F1_5 1.327(5) . ?
C2_5 F3_5 1.331(5) . ?
C2_5 F2_5 1.339(5) . ?
C3_5 F4_5 1.310(5) . ?
C3_5 F5_5 1.317(5) . ?
C3_5 F6_5 1.334(4) . ?
C4_5 F9_5 1.319(6) . ?
C4_5 F8_5 1.341(5) . ?
C4_5 F7_5 1.343(6) . ?
O1_6 C1_6 1.341(3) . ?
C1_6 C2_6 1.547(4) . ?
C1_6 C3_6 1.567(4) . ?
C1_6 C4_6 1.572(4) . ?
C2_6 F3_6 1.327(4) . ?
C2_6 F1_6 1.334(4) . ?
C2_6 F2_6 1.340(4) . ?
C3_6 F4_6 1.319(4) . ?
C3_6 F6_6 1.339(3) . ?
C3_6 F5_6 1.340(3) . ?
C4_6 F7_6 1.323(4) . ?
C4_6 F9_6 1.325(4) . ?
C4_6 F8_6 1.333(3) . ?
O1_7 C1_7 1.341(3) . ?
C1_7 C2_7 1.546(4) . ?
C1_7 C4_7 1.550(4) . ?
C1_7 C3_7 1.576(4) . ?
C2_7 F3_7 1.328(4) . ?
C2_7 F2_7 1.330(4) . ?
C2_7 F1_7 1.336(4) . ?
C3_7 F6_7 1.317(4) . ?
C3_7 F4_7 1.324(4) . ?
C3_7 F5_7 1.341(4) . ?
C4_7 F9_7 1.327(4) . ?
C4_7 F7_7 1.328(5) . ?
C4_7 F8_7 1.330(4) . ?
O1_8 C1_8 1.346(3) . ?
C1_8 C2_8 1.545(4) . ?
C1_8 C4_8 1.550(5) . ?
C1_8 C3_8 1.568(5) . ?
C2_8 F3_8 1.331(5) . ?
C2_8 F2_8 1.331(4) . ?
C2_8 F1_8 1.359(5) . ?
C3_8 F4_8 1.319(4) . ?
C3_8 F5_8 1.331(4) . ?
C3_8 F6_8 1.338(4) . ?
C4_8 F9_8 1.326(5) . ?
C4_8 F7_8 1.332(4) . ?
C4_8 F8_8 1.338(4) . ?
C1_10 C2_10 1.523(3) . ?
C1_10 C6_10 1.535(3) . ?
C1_10 H1_10 1.0000 . ?
C2_10 C3_10 1.536(3) . ?
C2_10 H2A_10 0.9900 . ?
C2_10 H2B_10 0.9900 . ?
C3_10 C4_10 1.520(4) . ?
C3_10 H3A_10 0.9900 . ?
C3_10 H3B_10 0.9900 . ?
C4_10 C5_10 1.506(5) . ?
C4_10 H4A_10 0.9900 . ?
C4_10 H4B_10 0.9900 . ?
C5_10 C6_10 1.528(4) . ?
C5_10 H5A_10 0.9900 . ?
C5_10 H5B_10 0.9900 . ?
C6_10 H6A_10 0.9900 . ?
C6_10 H6B_10 0.9900 . ?
C1_11 C2_11 1.535(4) . ?
C1_11 C6_11 1.539(3) . ?
C1_11 H1_11 1.0000 . ?
C2_11 C3_11 1.534(4) . ?
C2_11 H2A_11 0.9900 . ?
C2_11 H2B_11 0.9900 . ?
C3_11 C4_11 1.511(6) . ?
C3_11 H3A_11 0.9900 . ?
C3_11 H3B_11 0.9900 . ?
C4_11 C5_11 1.515(6) . ?
C4_11 H4A_11 0.9900 . ?
C4_11 H4B_11 0.9900 . ?
C5_11 C6_11 1.546(4) . ?
C5_11 H5A_11 0.9900 . ?
C5_11 H5B_11 0.9900 . ?
C6_11 H6A_11 0.9900 . ?
C6_11 H6B_11 0.9900 . ?
C1_12 C2_12 1.527(6) . ?
C1_12 C6_12 1.539(6) . ?
C1_12 H1_12 1.0000 . ?
C2_12 C3_12 1.551(6) . ?
C2_12 H2A_12 0.9900 . ?
C2_12 H2B_12 0.9900 . ?
C3_12 C4_12 1.519(7) . ?
C3_12 H3A_12 0.9900 . ?
C3_12 H3B_12 0.9900 . ?
C4_12 C5_12 1.517(7) . ?
C4_12 H4A_12 0.9900 . ?
C4_12 H4B_12 0.9900 . ?
C5_12 C6_12 1.531(6) . ?
C5_12 H5A_12 0.9900 . ?
C5_12 H5B_12 0.9900 . ?
C6_12 H6A_12 0.9900 . ?
C6_12 H6B_12 0.9900 . ?
C1_14 C6_14 1.526(6) . ?
C1_14 C2_14 1.527(6) . ?
C1_14 H1_14 1.0000 . ?
C2_14 C3_14 1.535(6) . ?
C2_14 H2A_14 0.9900 . ?
C2_14 H2B_14 0.9900 . ?
C3_14 C4_14 1.528(7) . ?
C3_14 H3A_14 0.9900 . ?
C3_14 H3B_14 0.9900 . ?
C4_14 C5_14 1.518(7) . ?
C4_14 H4A_14 0.9900 . ?
C4_14 H4B_14 0.9900 . ?
C5_14 C6_14 1.537(6) . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5B_14 0.9900 . ?
C6_14 H6A_14 0.9900 . ?
C6_14 H6B_14 0.9900 . ?
C1_13 C6_13 1.539(6) . ?
C1_13 C2_13 1.541(6) . ?
C1_13 H1_13 1.0000 . ?
C2_13 C3_13 1.531(6) . ?
C2_13 H2A_13 0.9900 . ?
C2_13 H2B_13 0.9900 . ?
C3_13 C4_13 1.520(7) . ?
C3_13 H3A_13 0.9900 . ?
C3_13 H3B_13 0.9900 . ?
C4_13 C5_13 1.520(6) . ?
C4_13 H4A_13 0.9900 . ?
C4_13 H4B_13 0.9900 . ?
C5_13 C6_13 1.544(6) . ?
C5_13 H5A_13 0.9900 . ?
C5_13 H5B_13 0.9900 . ?
C6_13 H6A_13 0.9900 . ?
C6_13 H6B_13 0.9900 . ?
C1_15 C2_15 1.528(7) . ?
C1_15 C6_15 1.553(7) . ?
C1_15 H1_15 1.0000 . ?
C2_15 C3_15 1.530(6) . ?
C2_15 H2A_15 0.9900 . ?
C2_15 H2B_15 0.9900 . ?
C3_15 C4_15 1.531(9) . ?
C3_15 H3A_15 0.9900 . ?
C3_15 H3B_15 0.9900 . ?
C4_15 C5_15 1.523(8) . ?
C4_15 H4A_15 0.9900 . ?
C4_15 H4B_15 0.9900 . ?
C5_15 C6_15 1.523(6) . ?
C5_15 H5A_15 0.9900 . ?
C5_15 H5B_15 0.9900 . ?
C6_15 H6A_15 0.9900 . ?
C6_15 H6B_15 0.9900 . ?
C1_16 C6_16 1.386(4) . ?
C1_16 C2_16 1.396(4) . ?
C2_16 C3_16 1.391(4) . ?
C2_16 H2_16 0.9500 . ?
C3_16 C4_16 1.381(5) . ?
C3_16 H3_16 0.9500 . ?
C4_16 C5_16 1.373(4) . ?
C4_16 H4_16 0.9500 . ?
C5_16 C6_16 1.393(3) . ?
C5_16 H5_16 0.9500 . ?
C6_16 H6_16 0.9500 . ?
C1_17 C2_17 1.403(3) . ?
C1_17 C6_17 1.407(3) . ?
C2_17 C3_17 1.386(3) . ?
C2_17 H2_17 0.9500 . ?
C3_17 C4_17 1.389(4) . ?
C3_17 H3_17 0.9500 . ?
C4_17 C5_17 1.383(5) . ?
C4_17 H4_17 0.9500 . ?
C5_17 C6_17 1.382(4) . ?
C5_17 H5_17 0.9500 . ?
C6_17 H6_17 0.9500 . ?
O1_18 C1_18 1.345(12) . ?
C1_18 C3_18 1.538(10) . ?
C1_18 C2_18 1.560(10) . ?
C1_18 C4_18 1.564(11) . ?
C2_18 F2_18 1.329(11) . ?
C2_18 F1_18 1.330(10) . ?
C2_18 F3_18 1.330(11) . ?
C3_18 F4_18 1.322(10) . ?
C3_18 F6_18 1.333(12) . ?
C3_18 F5_18 1.343(10) . ?
C4_18 F9_18 1.311(10) . ?
C4_18 F7_18 1.328(10) . ?
C4_18 F8_18 1.330(11) . ?
O1_19 C1_19 1.353(13) . ?
C1_19 C3_19 1.551(11) . ?
C1_19 C4_19 1.554(11) . ?
C1_19 C2_19 1.566(11) . ?
C2_19 F1_19 1.316(11) . ?
C2_19 F3_19 1.319(12) . ?
C2_19 F2_19 1.339(10) . ?
C3_19 F6_19 1.321(10) . ?
C3_19 F5_19 1.331(12) . ?
C3_19 F4_19 1.333(12) . ?
C4_19 F7_19 1.324(11) . ?
C4_19 F9_19 1.325(13) . ?
C4_19 F8_19 1.337(12) . ?
C1_9 C2_9 1.525(4) . ?
C1_9 C6_9 1.533(3) . ?
C1_9 H1_9 1.0000 . ?
C2_9 C3_9 1.539(4) . ?
C2_9 H2A_9 0.9900 . ?
C2_9 H2B_9 0.9900 . ?
C3_9 C4_9 1.525(5) . ?
C3_9 H3A_9 0.9900 . ?
C3_9 H3B_9 0.9900 . ?
C4_9 C5_9 1.516(6) . ?
C4_9 H4A_9 0.9900 . ?
C4_9 H4B_9 0.9900 . ?
C5_9 C6_9 1.513(4) . ?
C5_9 H5A_9 0.9900 . ?
C5_9 H5B_9 0.9900 . ?
C6_9 H6A_9 0.9900 . ?
C6_9 H6B_9 0.9900 . ?
C1_20 C2_20 1.537(3) . ?
C1_20 C6_20 1.539(3) . ?
C1_20 H1_20 1.0000 . ?
C2_20 C3_20 1.532(3) . ?
C2_20 H2A_20 0.9900 . ?
C2_20 H2B_20 0.9900 . ?
C3_20 C4_20 1.527(4) . ?
C3_20 H3A_20 0.9900 . ?
C3_20 H3B_20 0.9900 . ?
C4_20 C5_20 1.523(4) . ?
C4_20 H4A_20 0.9900 . ?
C4_20 H4B_20 0.9900 . ?
C5_20 C6_20 1.526(3) . ?
C5_20 H5A_20 0.9900 . ?
C5_20 H5B_20 0.9900 . ?
C6_20 H6A_20 0.9900 . ?
C6_20 H6B_20 0.9900 . ?
C1_21 C2_21 1.533(3) . ?
C1_21 C6_21 1.538(3) . ?
C1_21 H1_21 1.0000 . ?
C2_21 C3_21 1.533(4) . ?
C2_21 H2A_21 0.9900 . ?
C2_21 H2B_21 0.9900 . ?
C3_21 C4_21 1.514(6) . ?
C3_21 H3A_21 0.9900 . ?
C3_21 H3B_21 0.9900 . ?
C4_21 C5_21 1.512(5) . ?
C4_21 H4A_21 0.9900 . ?
C4_21 H4B_21 0.9900 . ?
C5_21 C6_21 1.530(3) . ?
C5_21 H5A_21 0.9900 . ?
C5_21 H5B_21 0.9900 . ?
C6_21 H6A_21 0.9900 . ?
C6_21 H6B_21 0.9900 . ?
C1_22 C6_22 1.535(3) . ?
C1_22 C2_22 1.538(3) . ?
C1_22 H1_22 1.0000 . ?
C2_22 C3_22 1.529(4) . ?
C2_22 H2A_22 0.9900 . ?
C2_22 H2B_22 0.9900 . ?
C3_22 C4_22 1.524(4) . ?
C3_22 H3A_22 0.9900 . ?
C3_22 H3B_22 0.9900 . ?
C4_22 C5_22 1.526(4) . ?
C4_22 H4A_22 0.9900 . ?
C4_22 H4B_22 0.9900 . ?
C5_22 C6_22 1.531(4) . ?
C5_22 H5A_22 0.9900 . ?
C5_22 H5B_22 0.9900 . ?
C6_22 H6A_22 0.9900 . ?
C6_22 H6B_22 0.9900 . ?
O1_23 C1_23 1.338(13) . ?
C1_23 C2_23 1.552(12) . ?
C1_23 C3_23 1.553(12) . ?
C1_23 C4_23 1.558(12) . ?
C2_23 F3_23 1.316(13) . ?
C2_23 F2_23 1.320(13) . ?
C2_23 F1_23 1.333(13) . ?
C3_23 F5_23 1.311(13) . ?
C3_23 F6_23 1.336(13) . ?
C3_23 F4_23 1.341(13) . ?
C4_23 F9_23 1.297(13) . ?
C4_23 F7_23 1.324(13) . ?
C4_23 F8_23 1.325(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ga1 P1 85.47(2) . . ?
P2 Ga1 Ga2 124.70(2) . . ?
P1 Ga1 Ga2 121.67(2) . . ?
P2 Ga1 H1 104.0(11) . . ?
P1 Ga1 H1 102.9(11) . . ?
Ga2 Ga1 H1 113.3(11) . . ?
N1 Ga2 P3 111.41(7) . . ?
N1 Ga2 Ga1 121.11(6) . . ?
P3 Ga2 Ga1 116.26(2) . . ?
N1 Ga2 P4 99.32(6) . . ?
P3 Ga2 P4 84.32(2) . . ?
Ga1 Ga2 P4 117.452(19) . . ?
C1 P1 C1_22 106.18(11) . . ?
C1 P1 C1_20 104.43(10) . . ?
C1_22 P1 C1_20 105.99(10) . . ?
C1 P1 Ga1 104.15(8) . . ?
C1_22 P1 Ga1 119.67(7) . . ?
C1_20 P1 Ga1 115.03(7) . . ?
C1_9 P2 C2 107.01(13) . . ?
C1_9 P2 C1_21 110.75(11) . . ?
C2 P2 C1_21 105.16(11) . . ?
C1_9 P2 Ga1 106.82(8) . . ?
C2 P2 Ga1 103.35(8) . . ?
C1_21 P2 Ga1 122.58(8) . . ?
C1_10 P4 C4 106.43(11) . . ?
C1_10 P4 C1_11 105.55(11) . . ?
C4 P4 C1_11 104.29(11) . . ?
C1_10 P4 Ga2 118.52(8) . . ?
C4 P4 Ga2 104.36(7) . . ?
C1_11 P4 Ga2 116.36(8) . . ?
C1_15 P3 C3 113.3(2) . . ?
C3 P3 C1_12 109.83(17) . . ?
C1_15 P3 C1_14 112.2(3) . . ?
C3 P3 C1_14 101.26(15) . . ?
C3 P3 C1_13 101.90(17) . . ?
C1_12 P3 C1_13 103.8(2) . . ?
C1_15 P3 Ga2 123.3(2) . . ?
C3 P3 Ga2 101.94(8) . . ?
C1_12 P3 Ga2 119.68(15) . . ?
C1_14 P3 Ga2 102.05(17) . . ?
C1_13 P3 Ga2 118.14(17) . . ?
O1_19 Al1 O1_18 111.9(13) . . ?
O1_2 Al1 O1_3 105.53(9) . . ?
O1_2 Al1 O1_1 112.7(4) . . ?
O1_3 Al1 O1_1 110.1(4) . . ?
O1_2 Al1 O1_4 108.9(2) . . ?
O1_3 Al1 O1_4 113.8(2) . . ?
O1_1 Al1 O1_4 106.0(5) . . ?
O1_5 Al2 O1_6 112.46(12) . . ?
O1_5 Al2 O1_8 109.65(12) . . ?
O1_6 Al2 O1_8 107.57(10) . . ?
O1_5 Al2 O1_7 106.76(12) . . ?
O1_6 Al2 O1_7 106.68(10) . . ?
O1_8 Al2 O1_7 113.78(11) . . ?
C1_17 N1 C1_16 118.8(2) . . ?
C1_17 N1 Ga2 118.70(15) . . ?
C1_16 N1 Ga2 122.37(17) . . ?
C3 C4 P4 113.18(15) . . ?
C3 C4 H4A 108.9 . . ?
P4 C4 H4A 108.9 . . ?
C3 C4 H4B 108.9 . . ?
P4 C4 H4B 108.9 . . ?
H4A C4 H4B 107.8 . . ?
C4 C3 P3 112.42(15) . . ?
C4 C3 H3A 109.1 . . ?
P3 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
P3 C3 H3B 109.1 . . ?
H3A C3 H3B 107.9 . . ?
C2 C1 P1 114.15(16) . . ?
C2 C1 H1A 108.7 . . ?
P1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
P1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 P2 112.05(17) . . ?
C1 C2 H2A 109.2 . . ?
P2 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
P2 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C1_1 O1_1 Al1 147.8(9) . . ?
O1_1 C1_1 C2_1 111.3(6) . . ?
O1_1 C1_1 C3_1 110.5(6) . . ?
C2_1 C1_1 C3_1 109.9(3) . . ?
O1_1 C1_1 C4_1 107.3(6) . . ?
C2_1 C1_1 C4_1 108.8(4) . . ?
C3_1 C1_1 C4_1 108.9(4) . . ?
F1_1 C2_1 F2_1 107.9(5) . . ?
F1_1 C2_1 F3_1 107.7(3) . . ?
F2_1 C2_1 F3_1 106.5(4) . . ?
F1_1 C2_1 C1_1 110.7(4) . . ?
F2_1 C2_1 C1_1 113.1(5) . . ?
F3_1 C2_1 C1_1 110.7(3) . . ?
F5_1 C3_1 F6_1 108.6(5) . . ?
F5_1 C3_1 F4_1 107.7(4) . . ?
F6_1 C3_1 F4_1 106.4(5) . . ?
F5_1 C3_1 C1_1 110.7(3) . . ?
F6_1 C3_1 C1_1 112.7(5) . . ?
F4_1 C3_1 C1_1 110.6(3) . . ?
F7_1 C4_1 F9_1 107.5(3) . . ?
F7_1 C4_1 F8_1 107.3(4) . . ?
F9_1 C4_1 F8_1 107.5(4) . . ?
F7_1 C4_1 C1_1 111.1(3) . . ?
F9_1 C4_1 C1_1 110.6(3) . . ?
F8_1 C4_1 C1_1 112.6(4) . . ?
C1_2 O1_2 Al1 146.41(16) . . ?
O1_2 C1_2 C2_2 111.0(2) . . ?
O1_2 C1_2 C4_2 111.7(2) . . ?
C2_2 C1_2 C4_2 108.2(2) . . ?
O1_2 C1_2 C3_2 106.8(2) . . ?
C2_2 C1_2 C3_2 109.9(2) . . ?
C4_2 C1_2 C3_2 109.2(2) . . ?
F2_2 C2_2 F1_2 107.5(2) . . ?
F2_2 C2_2 F3_2 107.4(2) . . ?
F1_2 C2_2 F3_2 106.9(2) . . ?
F2_2 C2_2 C1_2 113.0(2) . . ?
F1_2 C2_2 C1_2 110.5(2) . . ?
F3_2 C2_2 C1_2 111.2(2) . . ?
F5_2 C3_2 F4_2 107.6(2) . . ?
F5_2 C3_2 F6_2 107.6(2) . . ?
F4_2 C3_2 F6_2 108.0(2) . . ?
F5_2 C3_2 C1_2 110.8(2) . . ?
F4_2 C3_2 C1_2 110.1(2) . . ?
F6_2 C3_2 C1_2 112.6(2) . . ?
F7_2 C4_2 F9_2 107.6(2) . . ?
F7_2 C4_2 F8_2 108.5(2) . . ?
F9_2 C4_2 F8_2 106.8(2) . . ?
F7_2 C4_2 C1_2 110.8(2) . . ?
F9_2 C4_2 C1_2 111.0(2) . . ?
F8_2 C4_2 C1_2 111.8(2) . . ?
C1_3 O1_3 Al1 148.13(17) . . ?
O1_3 C1_3 C2_3 110.3(2) . . ?
O1_3 C1_3 C3_3 107.7(2) . . ?
C2_3 C1_3 C3_3 109.2(2) . . ?
O1_3 C1_3 C4_3 110.8(2) . . ?
C2_3 C1_3 C4_3 109.7(2) . . ?
C3_3 C1_3 C4_3 109.1(3) . . ?
F3_3 C2_3 F1_3 107.5(2) . . ?
F3_3 C2_3 F2_3 107.2(2) . . ?
F1_3 C2_3 F2_3 106.8(2) . . ?
F3_3 C2_3 C1_3 111.4(2) . . ?
F1_3 C2_3 C1_3 111.2(2) . . ?
F2_3 C2_3 C1_3 112.4(2) . . ?
F4_3 C3_3 F5_3 107.8(3) . . ?
F4_3 C3_3 F6_3 107.6(3) . . ?
F5_3 C3_3 F6_3 106.9(3) . . ?
F4_3 C3_3 C1_3 110.7(3) . . ?
F5_3 C3_3 C1_3 111.5(3) . . ?
F6_3 C3_3 C1_3 112.2(3) . . ?
F7_3 C4_3 F9_3 107.9(3) . . ?
F7_3 C4_3 F8_3 107.7(2) . . ?
F9_3 C4_3 F8_3 107.6(3) . . ?
F7_3 C4_3 C1_3 111.3(2) . . ?
F9_3 C4_3 C1_3 109.9(2) . . ?
F8_3 C4_3 C1_3 112.2(3) . . ?
C1_4 O1_4 Al1 143.6(5) . . ?
O1_4 C1_4 C3_4 109.6(4) . . ?
O1_4 C1_4 C2_4 112.0(4) . . ?
C3_4 C1_4 C2_4 109.4(3) . . ?
O1_4 C1_4 C4_4 107.7(4) . . ?
C3_4 C1_4 C4_4 109.4(3) . . ?
C2_4 C1_4 C4_4 108.7(3) . . ?
F3_4 C2_4 F1_4 107.8(4) . . ?
F3_4 C2_4 F2_4 107.2(3) . . ?
F1_4 C2_4 F2_4 108.0(5) . . ?
F3_4 C2_4 C1_4 111.7(3) . . ?
F1_4 C2_4 C1_4 109.2(4) . . ?
F2_4 C2_4 C1_4 112.8(4) . . ?
F5_4 C3_4 F4_4 107.0(4) . . ?
F5_4 C3_4 F6_4 108.4(4) . . ?
F4_4 C3_4 F6_4 107.2(4) . . ?
F5_4 C3_4 C1_4 111.0(4) . . ?
F4_4 C3_4 C1_4 110.9(3) . . ?
F6_4 C3_4 C1_4 112.1(3) . . ?
F9_4 C4_4 F7_4 107.3(4) . . ?
F9_4 C4_4 F8_4 108.3(3) . . ?
F7_4 C4_4 F8_4 107.2(4) . . ?
F9_4 C4_4 C1_4 110.8(3) . . ?
F7_4 C4_4 C1_4 110.4(4) . . ?
F8_4 C4_4 C1_4 112.8(3) . . ?
C1_5 O1_5 Al2 146.0(2) . . ?
O1_5 C1_5 C3_5 107.7(3) . . ?
O1_5 C1_5 C4_5 110.5(3) . . ?
C3_5 C1_5 C4_5 108.2(3) . . ?
O1_5 C1_5 C2_5 111.1(3) . . ?
C3_5 C1_5 C2_5 109.4(3) . . ?
C4_5 C1_5 C2_5 109.9(3) . . ?
F1_5 C2_5 F3_5 107.8(4) . . ?
F1_5 C2_5 F2_5 107.7(4) . . ?
F3_5 C2_5 F2_5 108.2(4) . . ?
F1_5 C2_5 C1_5 110.2(3) . . ?
F3_5 C2_5 C1_5 111.0(3) . . ?
F2_5 C2_5 C1_5 111.8(3) . . ?
F4_5 C3_5 F5_5 105.8(4) . . ?
F4_5 C3_5 F6_5 106.4(3) . . ?
F5_5 C3_5 F6_5 107.6(4) . . ?
F4_5 C3_5 C1_5 112.6(3) . . ?
F5_5 C3_5 C1_5 110.5(3) . . ?
F6_5 C3_5 C1_5 113.5(3) . . ?
F9_5 C4_5 F8_5 107.4(3) . . ?
F9_5 C4_5 F7_5 108.3(4) . . ?
F8_5 C4_5 F7_5 106.8(4) . . ?
F9_5 C4_5 C1_5 111.8(4) . . ?
F8_5 C4_5 C1_5 113.1(3) . . ?
F7_5 C4_5 C1_5 109.1(4) . . ?
C1_6 O1_6 Al2 149.44(18) . . ?
O1_6 C1_6 C2_6 108.6(2) . . ?
O1_6 C1_6 C3_6 109.3(2) . . ?
C2_6 C1_6 C3_6 108.9(2) . . ?
O1_6 C1_6 C4_6 112.0(2) . . ?
C2_6 C1_6 C4_6 109.6(2) . . ?
C3_6 C1_6 C4_6 108.4(2) . . ?
F3_6 C2_6 F1_6 107.3(3) . . ?
F3_6 C2_6 F2_6 107.3(3) . . ?
F1_6 C2_6 F2_6 107.2(3) . . ?
F3_6 C2_6 C1_6 111.2(3) . . ?
F1_6 C2_6 C1_6 110.1(3) . . ?
F2_6 C2_6 C1_6 113.5(3) . . ?
F4_6 C3_6 F6_6 108.3(3) . . ?
F4_6 C3_6 F5_6 107.5(3) . . ?
F6_6 C3_6 F5_6 107.4(2) . . ?
F4_6 C3_6 C1_6 111.4(2) . . ?
F6_6 C3_6 C1_6 112.4(3) . . ?
F5_6 C3_6 C1_6 109.6(3) . . ?
F7_6 C4_6 F9_6 107.8(2) . . ?
F7_6 C4_6 F8_6 108.1(3) . . ?
F9_6 C4_6 F8_6 108.1(3) . . ?
F7_6 C4_6 C1_6 111.1(3) . . ?
F9_6 C4_6 C1_6 109.5(2) . . ?
F8_6 C4_6 C1_6 112.2(2) . . ?
C1_7 O1_7 Al2 149.6(2) . . ?
O1_7 C1_7 C2_7 111.1(2) . . ?
O1_7 C1_7 C4_7 111.9(3) . . ?
C2_7 C1_7 C4_7 109.6(3) . . ?
O1_7 C1_7 C3_7 107.4(2) . . ?
C2_7 C1_7 C3_7 108.1(3) . . ?
C4_7 C1_7 C3_7 108.5(3) . . ?
F3_7 C2_7 F2_7 107.7(3) . . ?
F3_7 C2_7 F1_7 107.6(3) . . ?
F2_7 C2_7 F1_7 107.5(3) . . ?
F3_7 C2_7 C1_7 110.7(3) . . ?
F2_7 C2_7 C1_7 112.3(3) . . ?
F1_7 C2_7 C1_7 110.9(3) . . ?
F6_7 C3_7 F4_7 107.8(3) . . ?
F6_7 C3_7 F5_7 108.6(3) . . ?
F4_7 C3_7 F5_7 107.0(3) . . ?
F6_7 C3_7 C1_7 113.0(3) . . ?
F4_7 C3_7 C1_7 110.3(3) . . ?
F5_7 C3_7 C1_7 109.8(3) . . ?
F9_7 C4_7 F7_7 108.0(3) . . ?
F9_7 C4_7 F8_7 107.9(3) . . ?
F7_7 C4_7 F8_7 107.7(3) . . ?
F9_7 C4_7 C1_7 109.5(3) . . ?
F7_7 C4_7 C1_7 111.1(3) . . ?
F8_7 C4_7 C1_7 112.4(3) . . ?
C1_8 O1_8 Al2 147.19(18) . . ?
O1_8 C1_8 C2_8 108.3(2) . . ?
O1_8 C1_8 C4_8 111.3(3) . . ?
C2_8 C1_8 C4_8 110.1(3) . . ?
O1_8 C1_8 C3_8 111.1(3) . . ?
C2_8 C1_8 C3_8 108.4(3) . . ?
C4_8 C1_8 C3_8 107.5(3) . . ?
F3_8 C2_8 F2_8 107.6(3) . . ?
F3_8 C2_8 F1_8 107.6(3) . . ?
F2_8 C2_8 F1_8 108.2(3) . . ?
F3_8 C2_8 C1_8 110.9(3) . . ?
F2_8 C2_8 C1_8 113.2(3) . . ?
F1_8 C2_8 C1_8 109.1(3) . . ?
F4_8 C3_8 F5_8 108.3(3) . . ?
F4_8 C3_8 F6_8 107.7(3) . . ?
F5_8 C3_8 F6_8 108.2(3) . . ?
F4_8 C3_8 C1_8 110.1(3) . . ?
F5_8 C3_8 C1_8 110.5(3) . . ?
F6_8 C3_8 C1_8 111.9(3) . . ?
F9_8 C4_8 F7_8 108.1(3) . . ?
F9_8 C4_8 F8_8 107.9(3) . . ?
F7_8 C4_8 F8_8 106.7(3) . . ?
F9_8 C4_8 C1_8 109.8(3) . . ?
F7_8 C4_8 C1_8 111.8(3) . . ?
F8_8 C4_8 C1_8 112.3(3) . . ?
C2_10 C1_10 C6_10 110.1(2) . . ?
C2_10 C1_10 P4 114.42(16) . . ?
C6_10 C1_10 P4 109.58(16) . . ?
C2_10 C1_10 H1_10 107.5 . . ?
C6_10 C1_10 H1_10 107.5 . . ?
P4 C1_10 H1_10 107.5 . . ?
C1_10 C2_10 C3_10 108.8(2) . . ?
C1_10 C2_10 H2A_10 109.9 . . ?
C3_10 C2_10 H2A_10 109.9 . . ?
C1_10 C2_10 H2B_10 109.9 . . ?
C3_10 C2_10 H2B_10 109.9 . . ?
H2A_10 C2_10 H2B_10 108.3 . . ?
C4_10 C3_10 C2_10 111.0(2) . . ?
C4_10 C3_10 H3A_10 109.4 . . ?
C2_10 C3_10 H3A_10 109.4 . . ?
C4_10 C3_10 H3B_10 109.4 . . ?
C2_10 C3_10 H3B_10 109.4 . . ?
H3A_10 C3_10 H3B_10 108.0 . . ?
C5_10 C4_10 C3_10 111.5(3) . . ?
C5_10 C4_10 H4A_10 109.3 . . ?
C3_10 C4_10 H4A_10 109.3 . . ?
C5_10 C4_10 H4B_10 109.3 . . ?
C3_10 C4_10 H4B_10 109.3 . . ?
H4A_10 C4_10 H4B_10 108.0 . . ?
C4_10 C5_10 C6_10 111.6(3) . . ?
C4_10 C5_10 H5A_10 109.3 . . ?
C6_10 C5_10 H5A_10 109.3 . . ?
C4_10 C5_10 H5B_10 109.3 . . ?
C6_10 C5_10 H5B_10 109.3 . . ?
H5A_10 C5_10 H5B_10 108.0 . . ?
C5_10 C6_10 C1_10 111.5(2) . . ?
C5_10 C6_10 H6A_10 109.3 . . ?
C1_10 C6_10 H6A_10 109.3 . . ?
C5_10 C6_10 H6B_10 109.3 . . ?
C1_10 C6_10 H6B_10 109.3 . . ?
H6A_10 C6_10 H6B_10 108.0 . . ?
C2_11 C1_11 C6_11 111.3(2) . . ?
C2_11 C1_11 P4 110.10(17) . . ?
C6_11 C1_11 P4 113.42(19) . . ?
C2_11 C1_11 H1_11 107.2 . . ?
C6_11 C1_11 H1_11 107.2 . . ?
P4 C1_11 H1_11 107.2 . . ?
C3_11 C2_11 C1_11 111.5(3) . . ?
C3_11 C2_11 H2A_11 109.3 . . ?
C1_11 C2_11 H2A_11 109.3 . . ?
C3_11 C2_11 H2B_11 109.3 . . ?
C1_11 C2_11 H2B_11 109.3 . . ?
H2A_11 C2_11 H2B_11 108.0 . . ?
C4_11 C3_11 C2_11 109.3(3) . . ?
C4_11 C3_11 H3A_11 109.8 . . ?
C2_11 C3_11 H3A_11 109.8 . . ?
C4_11 C3_11 H3B_11 109.8 . . ?
C2_11 C3_11 H3B_11 109.8 . . ?
H3A_11 C3_11 H3B_11 108.3 . . ?
C3_11 C4_11 C5_11 110.1(3) . . ?
C3_11 C4_11 H4A_11 109.6 . . ?
C5_11 C4_11 H4A_11 109.6 . . ?
C3_11 C4_11 H4B_11 109.6 . . ?
C5_11 C4_11 H4B_11 109.6 . . ?
H4A_11 C4_11 H4B_11 108.1 . . ?
C4_11 C5_11 C6_11 112.0(3) . . ?
C4_11 C5_11 H5A_11 109.2 . . ?
C6_11 C5_11 H5A_11 109.2 . . ?
C4_11 C5_11 H5B_11 109.2 . . ?
C6_11 C5_11 H5B_11 109.2 . . ?
H5A_11 C5_11 H5B_11 107.9 . . ?
C1_11 C6_11 C5_11 109.4(3) . . ?
C1_11 C6_11 H6A_11 109.8 . . ?
C5_11 C6_11 H6A_11 109.8 . . ?
C1_11 C6_11 H6B_11 109.8 . . ?
C5_11 C6_11 H6B_11 109.8 . . ?
H6A_11 C6_11 H6B_11 108.2 . . ?
C2_12 C1_12 C6_12 110.2(4) . . ?
C2_12 C1_12 P3 114.7(3) . . ?
C6_12 C1_12 P3 110.9(3) . . ?
C2_12 C1_12 H1_12 106.9 . . ?
C6_12 C1_12 H1_12 106.9 . . ?
P3 C1_12 H1_12 106.9 . . ?
C1_12 C2_12 C3_12 110.3(4) . . ?
C1_12 C2_12 H2A_12 109.6 . . ?
C3_12 C2_12 H2A_12 109.6 . . ?
C1_12 C2_12 H2B_12 109.6 . . ?
C3_12 C2_12 H2B_12 109.6 . . ?
H2A_12 C2_12 H2B_12 108.1 . . ?
C4_12 C3_12 C2_12 111.0(4) . . ?
C4_12 C3_12 H3A_12 109.4 . . ?
C2_12 C3_12 H3A_12 109.4 . . ?
C4_12 C3_12 H3B_12 109.4 . . ?
C2_12 C3_12 H3B_12 109.4 . . ?
H3A_12 C3_12 H3B_12 108.0 . . ?
C5_12 C4_12 C3_12 111.3(5) . . ?
C5_12 C4_12 H4A_12 109.4 . . ?
C3_12 C4_12 H4A_12 109.4 . . ?
C5_12 C4_12 H4B_12 109.4 . . ?
C3_12 C4_12 H4B_12 109.4 . . ?
H4A_12 C4_12 H4B_12 108.0 . . ?
C4_12 C5_12 C6_12 111.1(4) . . ?
C4_12 C5_12 H5A_12 109.4 . . ?
C6_12 C5_12 H5A_12 109.4 . . ?
C4_12 C5_12 H5B_12 109.4 . . ?
C6_12 C5_12 H5B_12 109.4 . . ?
H5A_12 C5_12 H5B_12 108.0 . . ?
C5_12 C6_12 C1_12 110.1(4) . . ?
C5_12 C6_12 H6A_12 109.6 . . ?
C1_12 C6_12 H6A_12 109.6 . . ?
C5_12 C6_12 H6B_12 109.6 . . ?
C1_12 C6_12 H6B_12 109.6 . . ?
H6A_12 C6_12 H6B_12 108.1 . . ?
C6_14 C1_14 C2_14 112.0(4) . . ?
C6_14 C1_14 P3 111.6(3) . . ?
C2_14 C1_14 P3 114.1(3) . . ?
C6_14 C1_14 H1_14 106.1 . . ?
C2_14 C1_14 H1_14 106.1 . . ?
P3 C1_14 H1_14 106.1 . . ?
C1_14 C2_14 C3_14 112.1(4) . . ?
C1_14 C2_14 H2A_14 109.2 . . ?
C3_14 C2_14 H2A_14 109.2 . . ?
C1_14 C2_14 H2B_14 109.2 . . ?
C3_14 C2_14 H2B_14 109.2 . . ?
H2A_14 C2_14 H2B_14 107.9 . . ?
C4_14 C3_14 C2_14 110.3(4) . . ?
C4_14 C3_14 H3A_14 109.6 . . ?
C2_14 C3_14 H3A_14 109.6 . . ?
C4_14 C3_14 H3B_14 109.6 . . ?
C2_14 C3_14 H3B_14 109.6 . . ?
H3A_14 C3_14 H3B_14 108.1 . . ?
C5_14 C4_14 C3_14 109.4(4) . . ?
C5_14 C4_14 H4A_14 109.8 . . ?
C3_14 C4_14 H4A_14 109.8 . . ?
C5_14 C4_14 H4B_14 109.8 . . ?
C3_14 C4_14 H4B_14 109.8 . . ?
H4A_14 C4_14 H4B_14 108.2 . . ?
C4_14 C5_14 C6_14 111.6(4) . . ?
C4_14 C5_14 H5A_14 109.3 . . ?
C6_14 C5_14 H5A_14 109.3 . . ?
C4_14 C5_14 H5B_14 109.3 . . ?
C6_14 C5_14 H5B_14 109.3 . . ?
H5A_14 C5_14 H5B_14 108.0 . . ?
C1_14 C6_14 C5_14 111.0(4) . . ?
C1_14 C6_14 H6A_14 109.4 . . ?
C5_14 C6_14 H6A_14 109.4 . . ?
C1_14 C6_14 H6B_14 109.4 . . ?
C5_14 C6_14 H6B_14 109.4 . . ?
H6A_14 C6_14 H6B_14 108.0 . . ?
C6_13 C1_13 C2_13 109.5(4) . . ?
C6_13 C1_13 P3 116.9(3) . . ?
C2_13 C1_13 P3 111.7(3) . . ?
C6_13 C1_13 H1_13 106.0 . . ?
C2_13 C1_13 H1_13 106.0 . . ?
P3 C1_13 H1_13 106.0 . . ?
C3_13 C2_13 C1_13 110.7(4) . . ?
C3_13 C2_13 H2A_13 109.5 . . ?
C1_13 C2_13 H2A_13 109.5 . . ?
C3_13 C2_13 H2B_13 109.5 . . ?
C1_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2B_13 108.1 . . ?
C4_13 C3_13 C2_13 110.0(4) . . ?
C4_13 C3_13 H3A_13 109.7 . . ?
C2_13 C3_13 H3A_13 109.7 . . ?
C4_13 C3_13 H3B_13 109.7 . . ?
C2_13 C3_13 H3B_13 109.7 . . ?
H3A_13 C3_13 H3B_13 108.2 . . ?
C3_13 C4_13 C5_13 110.6(5) . . ?
C3_13 C4_13 H4A_13 109.5 . . ?
C5_13 C4_13 H4A_13 109.5 . . ?
C3_13 C4_13 H4B_13 109.5 . . ?
C5_13 C4_13 H4B_13 109.5 . . ?
H4A_13 C4_13 H4B_13 108.1 . . ?
C4_13 C5_13 C6_13 111.6(4) . . ?
C4_13 C5_13 H5A_13 109.3 . . ?
C6_13 C5_13 H5A_13 109.3 . . ?
C4_13 C5_13 H5B_13 109.3 . . ?
C6_13 C5_13 H5B_13 109.3 . . ?
H5A_13 C5_13 H5B_13 108.0 . . ?
C1_13 C6_13 C5_13 110.5(4) . . ?
C1_13 C6_13 H6A_13 109.5 . . ?
C5_13 C6_13 H6A_13 109.5 . . ?
C1_13 C6_13 H6B_13 109.5 . . ?
C5_13 C6_13 H6B_13 109.5 . . ?
H6A_13 C6_13 H6B_13 108.1 . . ?
C2_15 C1_15 C6_15 110.1(5) . . ?
C2_15 C1_15 P3 114.6(4) . . ?
C6_15 C1_15 P3 108.1(4) . . ?
C2_15 C1_15 H1_15 107.9 . . ?
C6_15 C1_15 H1_15 107.9 . . ?
P3 C1_15 H1_15 107.9 . . ?
C1_15 C2_15 C3_15 108.5(4) . . ?
C1_15 C2_15 H2A_15 110.0 . . ?
C3_15 C2_15 H2A_15 110.0 . . ?
C1_15 C2_15 H2B_15 110.0 . . ?
C3_15 C2_15 H2B_15 110.0 . . ?
H2A_15 C2_15 H2B_15 108.4 . . ?
C2_15 C3_15 C4_15 112.3(5) . . ?
C2_15 C3_15 H3A_15 109.1 . . ?
C4_15 C3_15 H3A_15 109.1 . . ?
C2_15 C3_15 H3B_15 109.1 . . ?
C4_15 C3_15 H3B_15 109.1 . . ?
H3A_15 C3_15 H3B_15 107.9 . . ?
C5_15 C4_15 C3_15 110.6(5) . . ?
C5_15 C4_15 H4A_15 109.5 . . ?
C3_15 C4_15 H4A_15 109.5 . . ?
C5_15 C4_15 H4B_15 109.5 . . ?
C3_15 C4_15 H4B_15 109.5 . . ?
H4A_15 C4_15 H4B_15 108.1 . . ?
C6_15 C5_15 C4_15 110.8(5) . . ?
C6_15 C5_15 H5A_15 109.5 . . ?
C4_15 C5_15 H5A_15 109.5 . . ?
C6_15 C5_15 H5B_15 109.5 . . ?
C4_15 C5_15 H5B_15 109.5 . . ?
H5A_15 C5_15 H5B_15 108.1 . . ?
C5_15 C6_15 C1_15 110.5(5) . . ?
C5_15 C6_15 H6A_15 109.5 . . ?
C1_15 C6_15 H6A_15 109.5 . . ?
C5_15 C6_15 H6B_15 109.5 . . ?
C1_15 C6_15 H6B_15 109.5 . . ?
H6A_15 C6_15 H6B_15 108.1 . . ?
C6_16 C1_16 C2_16 118.2(2) . . ?
C6_16 C1_16 N1 119.6(2) . . ?
C2_16 C1_16 N1 122.3(2) . . ?
C3_16 C2_16 C1_16 120.1(3) . . ?
C3_16 C2_16 H2_16 119.9 . . ?
C1_16 C2_16 H2_16 119.9 . . ?
C4_16 C3_16 C2_16 121.1(3) . . ?
C4_16 C3_16 H3_16 119.5 . . ?
C2_16 C3_16 H3_16 119.5 . . ?
C5_16 C4_16 C3_16 119.0(3) . . ?
C5_16 C4_16 H4_16 120.5 . . ?
C3_16 C4_16 H4_16 120.5 . . ?
C4_16 C5_16 C6_16 120.4(3) . . ?
C4_16 C5_16 H5_16 119.8 . . ?
C6_16 C5_16 H5_16 119.8 . . ?
C1_16 C6_16 C5_16 121.1(2) . . ?
C1_16 C6_16 H6_16 119.4 . . ?
C5_16 C6_16 H6_16 119.4 . . ?
N1 C1_17 C2_17 119.8(2) . . ?
N1 C1_17 C6_17 123.4(2) . . ?
C2_17 C1_17 C6_17 116.8(2) . . ?
C3_17 C2_17 C1_17 122.1(2) . . ?
C3_17 C2_17 H2_17 119.0 . . ?
C1_17 C2_17 H2_17 119.0 . . ?
C2_17 C3_17 C4_17 120.0(3) . . ?
C2_17 C3_17 H3_17 120.0 . . ?
C4_17 C3_17 H3_17 120.0 . . ?
C5_17 C4_17 C3_17 118.8(3) . . ?
C5_17 C4_17 H4_17 120.6 . . ?
C3_17 C4_17 H4_17 120.6 . . ?
C6_17 C5_17 C4_17 121.6(3) . . ?
C6_17 C5_17 H5_17 119.2 . . ?
C4_17 C5_17 H5_17 119.2 . . ?
C5_17 C6_17 C1_17 120.8(3) . . ?
C5_17 C6_17 H6_17 119.6 . . ?
C1_17 C6_17 H6_17 119.6 . . ?
C1_18 O1_18 Al1 146(2) . . ?
O1_18 C1_18 C3_18 111.9(13) . . ?
O1_18 C1_18 C2_18 108.0(13) . . ?
C3_18 C1_18 C2_18 109.9(8) . . ?
O1_18 C1_18 C4_18 108.2(14) . . ?
C3_18 C1_18 C4_18 109.5(8) . . ?
C2_18 C1_18 C4_18 109.1(8) . . ?
F2_18 C2_18 F1_18 107.0(10) . . ?
F2_18 C2_18 F3_18 110.2(13) . . ?
F1_18 C2_18 F3_18 108.7(9) . . ?
F2_18 C2_18 C1_18 111.8(12) . . ?
F1_18 C2_18 C1_18 110.8(7) . . ?
F3_18 C2_18 C1_18 108.3(9) . . ?
F4_18 C3_18 F6_18 108.4(13) . . ?
F4_18 C3_18 F5_18 105.3(9) . . ?
F6_18 C3_18 F5_18 106.1(12) . . ?
F4_18 C3_18 C1_18 112.1(8) . . ?
F6_18 C3_18 C1_18 112.5(11) . . ?
F5_18 C3_18 C1_18 112.0(8) . . ?
F9_18 C4_18 F7_18 107.9(9) . . ?
F9_18 C4_18 F8_18 109.7(9) . . ?
F7_18 C4_18 F8_18 107.3(11) . . ?
F9_18 C4_18 C1_18 110.5(7) . . ?
F7_18 C4_18 C1_18 109.3(7) . . ?
F8_18 C4_18 C1_18 112.0(11) . . ?
C1_19 O1_19 Al1 150(2) . . ?
O1_19 C1_19 C3_19 109.4(14) . . ?
O1_19 C1_19 C4_19 111.3(15) . . ?
C3_19 C1_19 C4_19 108.5(9) . . ?
O1_19 C1_19 C2_19 108.2(14) . . ?
C3_19 C1_19 C2_19 109.6(9) . . ?
C4_19 C1_19 C2_19 109.8(9) . . ?
F1_19 C2_19 F3_19 108.4(11) . . ?
F1_19 C2_19 F2_19 108.4(10) . . ?
F3_19 C2_19 F2_19 108.1(13) . . ?
F1_19 C2_19 C1_19 110.6(9) . . ?
F3_19 C2_19 C1_19 109.7(12) . . ?
F2_19 C2_19 C1_19 111.6(9) . . ?
F6_19 C3_19 F5_19 107.7(13) . . ?
F6_19 C3_19 F4_19 108.8(14) . . ?
F5_19 C3_19 F4_19 103.9(14) . . ?
F6_19 C3_19 C1_19 111.2(10) . . ?
F5_19 C3_19 C1_19 112.4(11) . . ?
F4_19 C3_19 C1_19 112.6(14) . . ?
F7_19 C4_19 F9_19 107.6(16) . . ?
F7_19 C4_19 F8_19 107.3(12) . . ?
F9_19 C4_19 F8_19 106.7(17) . . ?
F7_19 C4_19 C1_19 112.1(9) . . ?
F9_19 C4_19 C1_19 111.6(15) . . ?
F8_19 C4_19 C1_19 111.3(14) . . ?
C2_9 C1_9 C6_9 110.3(2) . . ?
C2_9 C1_9 P2 110.67(18) . . ?
C6_9 C1_9 P2 117.1(2) . . ?
C2_9 C1_9 H1_9 106.0 . . ?
C6_9 C1_9 H1_9 106.0 . . ?
P2 C1_9 H1_9 106.0 . . ?
C1_9 C2_9 C3_9 110.3(3) . . ?
C1_9 C2_9 H2A_9 109.6 . . ?
C3_9 C2_9 H2A_9 109.6 . . ?
C1_9 C2_9 H2B_9 109.6 . . ?
C3_9 C2_9 H2B_9 109.6 . . ?
H2A_9 C2_9 H2B_9 108.1 . . ?
C4_9 C3_9 C2_9 110.6(3) . . ?
C4_9 C3_9 H3A_9 109.5 . . ?
C2_9 C3_9 H3A_9 109.5 . . ?
C4_9 C3_9 H3B_9 109.5 . . ?
C2_9 C3_9 H3B_9 109.5 . . ?
H3A_9 C3_9 H3B_9 108.1 . . ?
C5_9 C4_9 C3_9 111.8(3) . . ?
C5_9 C4_9 H4A_9 109.3 . . ?
C3_9 C4_9 H4A_9 109.3 . . ?
C5_9 C4_9 H4B_9 109.3 . . ?
C3_9 C4_9 H4B_9 109.3 . . ?
H4A_9 C4_9 H4B_9 107.9 . . ?
C6_9 C5_9 C4_9 110.8(3) . . ?
C6_9 C5_9 H5A_9 109.5 . . ?
C4_9 C5_9 H5A_9 109.5 . . ?
C6_9 C5_9 H5B_9 109.5 . . ?
C4_9 C5_9 H5B_9 109.5 . . ?
H5A_9 C5_9 H5B_9 108.1 . . ?
C5_9 C6_9 C1_9 110.2(3) . . ?
C5_9 C6_9 H6A_9 109.6 . . ?
C1_9 C6_9 H6A_9 109.6 . . ?
C5_9 C6_9 H6B_9 109.6 . . ?
C1_9 C6_9 H6B_9 109.6 . . ?
H6A_9 C6_9 H6B_9 108.1 . . ?
C2_20 C1_20 C6_20 110.20(19) . . ?
C2_20 C1_20 P1 111.50(15) . . ?
C6_20 C1_20 P1 113.40(15) . . ?
C2_20 C1_20 H1_20 107.1 . . ?
C6_20 C1_20 H1_20 107.1 . . ?
P1 C1_20 H1_20 107.1 . . ?
C3_20 C2_20 C1_20 110.68(19) . . ?
C3_20 C2_20 H2A_20 109.5 . . ?
C1_20 C2_20 H2A_20 109.5 . . ?
C3_20 C2_20 H2B_20 109.5 . . ?
C1_20 C2_20 H2B_20 109.5 . . ?
H2A_20 C2_20 H2B_20 108.1 . . ?
C4_20 C3_20 C2_20 111.7(2) . . ?
C4_20 C3_20 H3A_20 109.3 . . ?
C2_20 C3_20 H3A_20 109.3 . . ?
C4_20 C3_20 H3B_20 109.3 . . ?
C2_20 C3_20 H3B_20 109.3 . . ?
H3A_20 C3_20 H3B_20 107.9 . . ?
C5_20 C4_20 C3_20 111.6(2) . . ?
C5_20 C4_20 H4A_20 109.3 . . ?
C3_20 C4_20 H4A_20 109.3 . . ?
C5_20 C4_20 H4B_20 109.3 . . ?
C3_20 C4_20 H4B_20 109.3 . . ?
H4A_20 C4_20 H4B_20 108.0 . . ?
C4_20 C5_20 C6_20 111.3(2) . . ?
C4_20 C5_20 H5A_20 109.4 . . ?
C6_20 C5_20 H5A_20 109.4 . . ?
C4_20 C5_20 H5B_20 109.4 . . ?
C6_20 C5_20 H5B_20 109.4 . . ?
H5A_20 C5_20 H5B_20 108.0 . . ?
C5_20 C6_20 C1_20 110.5(2) . . ?
C5_20 C6_20 H6A_20 109.5 . . ?
C1_20 C6_20 H6A_20 109.5 . . ?
C5_20 C6_20 H6B_20 109.5 . . ?
C1_20 C6_20 H6B_20 109.5 . . ?
H6A_20 C6_20 H6B_20 108.1 . . ?
C2_21 C1_21 C6_21 109.7(2) . . ?
C2_21 C1_21 P2 110.35(16) . . ?
C6_21 C1_21 P2 113.68(16) . . ?
C2_21 C1_21 H1_21 107.6 . . ?
C6_21 C1_21 H1_21 107.6 . . ?
P2 C1_21 H1_21 107.6 . . ?
C3_21 C2_21 C1_21 110.9(2) . . ?
C3_21 C2_21 H2A_21 109.5 . . ?
C1_21 C2_21 H2A_21 109.5 . . ?
C3_21 C2_21 H2B_21 109.5 . . ?
C1_21 C2_21 H2B_21 109.5 . . ?
H2A_21 C2_21 H2B_21 108.0 . . ?
C4_21 C3_21 C2_21 112.2(3) . . ?
C4_21 C3_21 H3A_21 109.2 . . ?
C2_21 C3_21 H3A_21 109.2 . . ?
C4_21 C3_21 H3B_21 109.2 . . ?
C2_21 C3_21 H3B_21 109.2 . . ?
H3A_21 C3_21 H3B_21 107.9 . . ?
C5_21 C4_21 C3_21 110.6(3) . . ?
C5_21 C4_21 H4A_21 109.5 . . ?
C3_21 C4_21 H4A_21 109.5 . . ?
C5_21 C4_21 H4B_21 109.5 . . ?
C3_21 C4_21 H4B_21 109.5 . . ?
H4A_21 C4_21 H4B_21 108.1 . . ?
C4_21 C5_21 C6_21 111.9(2) . . ?
C4_21 C5_21 H5A_21 109.2 . . ?
C6_21 C5_21 H5A_21 109.2 . . ?
C4_21 C5_21 H5B_21 109.2 . . ?
C6_21 C5_21 H5B_21 109.2 . . ?
H5A_21 C5_21 H5B_21 107.9 . . ?
C5_21 C6_21 C1_21 111.6(2) . . ?
C5_21 C6_21 H6A_21 109.3 . . ?
C1_21 C6_21 H6A_21 109.3 . . ?
C5_21 C6_21 H6B_21 109.3 . . ?
C1_21 C6_21 H6B_21 109.3 . . ?
H6A_21 C6_21 H6B_21 108.0 . . ?
C6_22 C1_22 C2_22 111.2(2) . . ?
C6_22 C1_22 P1 111.66(16) . . ?
C2_22 C1_22 P1 113.98(15) . . ?
C6_22 C1_22 H1_22 106.5 . . ?
C2_22 C1_22 H1_22 106.5 . . ?
P1 C1_22 H1_22 106.5 . . ?
C3_22 C2_22 C1_22 109.9(2) . . ?
C3_22 C2_22 H2A_22 109.7 . . ?
C1_22 C2_22 H2A_22 109.7 . . ?
C3_22 C2_22 H2B_22 109.7 . . ?
C1_22 C2_22 H2B_22 109.7 . . ?
H2A_22 C2_22 H2B_22 108.2 . . ?
C4_22 C3_22 C2_22 111.3(3) . . ?
C4_22 C3_22 H3A_22 109.4 . . ?
C2_22 C3_22 H3A_22 109.4 . . ?
C4_22 C3_22 H3B_22 109.4 . . ?
C2_22 C3_22 H3B_22 109.4 . . ?
H3A_22 C3_22 H3B_22 108.0 . . ?
C3_22 C4_22 C5_22 111.4(2) . . ?
C3_22 C4_22 H4A_22 109.3 . . ?
C5_22 C4_22 H4A_22 109.3 . . ?
C3_22 C4_22 H4B_22 109.3 . . ?
C5_22 C4_22 H4B_22 109.3 . . ?
H4A_22 C4_22 H4B_22 108.0 . . ?
C4_22 C5_22 C6_22 111.7(2) . . ?
C4_22 C5_22 H5A_22 109.3 . . ?
C6_22 C5_22 H5A_22 109.3 . . ?
C4_22 C5_22 H5B_22 109.3 . . ?
C6_22 C5_22 H5B_22 109.3 . . ?
H5A_22 C5_22 H5B_22 107.9 . . ?
C5_22 C6_22 C1_22 110.3(2) . . ?
C5_22 C6_22 H6A_22 109.6 . . ?
C1_22 C6_22 H6A_22 109.6 . . ?
C5_22 C6_22 H6B_22 109.6 . . ?
C1_22 C6_22 H6B_22 109.6 . . ?
H6A_22 C6_22 H6B_22 108.1 . . ?
C1_23 O1_23 Al2 157.1(14) . . ?
O1_23 C1_23 C2_23 110.1(12) . . ?
O1_23 C1_23 C3_23 110.1(13) . . ?
C2_23 C1_23 C3_23 113.0(11) . . ?
O1_23 C1_23 C4_23 111.9(13) . . ?
C2_23 C1_23 C4_23 107.9(11) . . ?
C3_23 C1_23 C4_23 103.6(11) . . ?
F3_23 C2_23 F2_23 109.1(16) . . ?
F3_23 C2_23 F1_23 107.4(15) . . ?
F2_23 C2_23 F1_23 105.7(15) . . ?
F3_23 C2_23 C1_23 112.0(14) . . ?
F2_23 C2_23 C1_23 111.7(13) . . ?
F1_23 C2_23 C1_23 110.8(13) . . ?
F5_23 C3_23 F6_23 107.0(16) . . ?
F5_23 C3_23 F4_23 112.6(17) . . ?
F6_23 C3_23 F4_23 105.3(17) . . ?
F5_23 C3_23 C1_23 112.2(14) . . ?
F6_23 C3_23 C1_23 109.4(15) . . ?
F4_23 C3_23 C1_23 110.0(16) . . ?
F9_23 C4_23 F7_23 107.4(17) . . ?
F9_23 C4_23 F8_23 111.3(15) . . ?
F7_23 C4_23 F8_23 107.0(15) . . ?
F9_23 C4_23 C1_23 109.4(13) . . ?
F7_23 C4_23 C1_23 111.8(14) . . ?
F8_23 C4_23 C1_23 109.9(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1_10 P4 C4 C3 155.50(16) . . . . ?
C1_11 P4 C4 C3 -93.18(18) . . . . ?
Ga2 P4 C4 C3 29.39(17) . . . . ?
P4 C4 C3 P3 -54.7(2) . . . . ?
C1_15 P3 C3 C4 -176.0(3) . . . . ?
C1_12 P3 C3 C4 -78.4(2) . . . . ?
C1_14 P3 C3 C4 -55.6(2) . . . . ?
C1_13 P3 C3 C4 171.9(2) . . . . ?
Ga2 P3 C3 C4 49.44(17) . . . . ?
C1_22 P1 C1 C2 94.6(2) . . . . ?
C1_20 P1 C1 C2 -153.62(19) . . . . ?
Ga1 P1 C1 C2 -32.6(2) . . . . ?
P1 C1 C2 P2 52.6(2) . . . . ?
C1_9 P2 C2 C1 68.9(2) . . . . ?
C1_21 P2 C2 C1 -173.25(17) . . . . ?
Ga1 P2 C2 C1 -43.63(19) . . . . ?
O1_2 Al1 O1_1 C1_1 -85.8(16) . . . . ?
O1_3 Al1 O1_1 C1_1 156.7(15) . . . . ?
O1_4 Al1 O1_1 C1_1 33.2(17) . . . . ?
Al1 O1_1 C1_1 C2_1 -67.9(17) . . . . ?
Al1 O1_1 C1_1 C3_1 54.5(17) . . . . ?
Al1 O1_1 C1_1 C4_1 173.1(14) . . . . ?
O1_1 C1_1 C2_1 F1_1 -39.8(7) . . . . ?
C3_1 C1_1 C2_1 F1_1 -162.6(4) . . . . ?
C4_1 C1_1 C2_1 F1_1 78.2(5) . . . . ?
O1_1 C1_1 C2_1 F2_1 -161.1(7) . . . . ?
C3_1 C1_1 C2_1 F2_1 76.1(6) . . . . ?
C4_1 C1_1 C2_1 F2_1 -43.1(6) . . . . ?
O1_1 C1_1 C2_1 F3_1 79.5(6) . . . . ?
C3_1 C1_1 C2_1 F3_1 -43.2(5) . . . . ?
C4_1 C1_1 C2_1 F3_1 -162.5(3) . . . . ?
O1_1 C1_1 C3_1 F5_1 -46.9(7) . . . . ?
C2_1 C1_1 C3_1 F5_1 76.3(5) . . . . ?
C4_1 C1_1 C3_1 F5_1 -164.5(4) . . . . ?
O1_1 C1_1 C3_1 F6_1 -168.7(7) . . . . ?
C2_1 C1_1 C3_1 F6_1 -45.5(6) . . . . ?
C4_1 C1_1 C3_1 F6_1 73.7(6) . . . . ?
O1_1 C1_1 C3_1 F4_1 72.3(7) . . . . ?
C2_1 C1_1 C3_1 F4_1 -164.5(4) . . . . ?
C4_1 C1_1 C3_1 F4_1 -45.3(5) . . . . ?
O1_1 C1_1 C4_1 F7_1 -45.4(7) . . . . ?
C2_1 C1_1 C4_1 F7_1 -165.9(4) . . . . ?
C3_1 C1_1 C4_1 F7_1 74.3(5) . . . . ?
O1_1 C1_1 C4_1 F9_1 73.9(6) . . . . ?
C2_1 C1_1 C4_1 F9_1 -46.6(5) . . . . ?
C3_1 C1_1 C4_1 F9_1 -166.4(4) . . . . ?
O1_1 C1_1 C4_1 F8_1 -165.8(7) . . . . ?
C2_1 C1_1 C4_1 F8_1 73.7(6) . . . . ?
C3_1 C1_1 C4_1 F8_1 -46.1(6) . . . . ?
O1_3 Al1 O1_2 C1_2 45.8(3) . . . . ?
O1_1 Al1 O1_2 C1_2 -74.4(5) . . . . ?
O1_4 Al1 O1_2 C1_2 168.3(4) . . . . ?
Al1 O1_2 C1_2 C2_2 52.3(4) . . . . ?
Al1 O1_2 C1_2 C4_2 -68.6(4) . . . . ?
Al1 O1_2 C1_2 C3_2 172.1(2) . . . . ?
O1_2 C1_2 C2_2 F2_2 -164.4(2) . . . . ?
C4_2 C1_2 C2_2 F2_2 -41.4(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 77.7(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 -43.8(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 79.1(3) . . . . ?
C3_2 C1_2 C2_2 F1_2 -161.7(2) . . . . ?
O1_2 C1_2 C2_2 F3_2 74.8(3) . . . . ?
C4_2 C1_2 C2_2 F3_2 -162.3(2) . . . . ?
C3_2 C1_2 C2_2 F3_2 -43.1(3) . . . . ?
O1_2 C1_2 C3_2 F5_2 -41.5(3) . . . . ?
C2_2 C1_2 C3_2 F5_2 79.0(3) . . . . ?
C4_2 C1_2 C3_2 F5_2 -162.5(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 77.4(3) . . . . ?
C2_2 C1_2 C3_2 F4_2 -162.1(2) . . . . ?
C4_2 C1_2 C3_2 F4_2 -43.6(3) . . . . ?
O1_2 C1_2 C3_2 F6_2 -162.0(2) . . . . ?
C2_2 C1_2 C3_2 F6_2 -41.5(3) . . . . ?
C4_2 C1_2 C3_2 F6_2 77.0(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 -38.4(3) . . . . ?
C2_2 C1_2 C4_2 F7_2 -160.9(2) . . . . ?
C3_2 C1_2 C4_2 F7_2 79.5(3) . . . . ?
O1_2 C1_2 C4_2 F9_2 81.2(3) . . . . ?
C2_2 C1_2 C4_2 F9_2 -41.3(3) . . . . ?
C3_2 C1_2 C4_2 F9_2 -160.9(2) . . . . ?
O1_2 C1_2 C4_2 F8_2 -159.6(2) . . . . ?
C2_2 C1_2 C4_2 F8_2 77.9(3) . . . . ?
C3_2 C1_2 C4_2 F8_2 -41.7(3) . . . . ?
O1_2 Al1 O1_3 C1_3 -164.5(3) . . . . ?
O1_1 Al1 O1_3 C1_3 -42.6(6) . . . . ?
O1_4 Al1 O1_3 C1_3 76.2(4) . . . . ?
Al1 O1_3 C1_3 C2_3 62.2(4) . . . . ?
Al1 O1_3 C1_3 C3_3 -178.7(3) . . . . ?
Al1 O1_3 C1_3 C4_3 -59.6(4) . . . . ?
O1_3 C1_3 C2_3 F3_3 41.6(3) . . . . ?
C3_3 C1_3 C2_3 F3_3 -76.5(3) . . . . ?
C4_3 C1_3 C2_3 F3_3 164.0(2) . . . . ?
O1_3 C1_3 C2_3 F1_3 -78.3(3) . . . . ?
C3_3 C1_3 C2_3 F1_3 163.6(2) . . . . ?
C4_3 C1_3 C2_3 F1_3 44.1(3) . . . . ?
O1_3 C1_3 C2_3 F2_3 162.0(2) . . . . ?
C3_3 C1_3 C2_3 F2_3 43.9(3) . . . . ?
C4_3 C1_3 C2_3 F2_3 -75.6(3) . . . . ?
O1_3 C1_3 C3_3 F4_3 43.5(4) . . . . ?
C2_3 C1_3 C3_3 F4_3 163.2(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -76.9(3) . . . . ?
O1_3 C1_3 C3_3 F5_3 -76.5(3) . . . . ?
C2_3 C1_3 C3_3 F5_3 43.3(3) . . . . ?
C4_3 C1_3 C3_3 F5_3 163.2(2) . . . . ?
O1_3 C1_3 C3_3 F6_3 163.6(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.6(4) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.3(4) . . . . ?
O1_3 C1_3 C4_3 F7_3 -72.3(3) . . . . ?
C2_3 C1_3 C4_3 F7_3 165.6(3) . . . . ?
C3_3 C1_3 C4_3 F7_3 46.1(3) . . . . ?
O1_3 C1_3 C4_3 F9_3 47.2(3) . . . . ?
C2_3 C1_3 C4_3 F9_3 -74.9(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 165.5(2) . . . . ?
O1_3 C1_3 C4_3 F8_3 166.9(2) . . . . ?
C2_3 C1_3 C4_3 F8_3 44.8(3) . . . . ?
C3_3 C1_3 C4_3 F8_3 -74.7(3) . . . . ?
O1_2 Al1 O1_4 C1_4 -37.9(9) . . . . ?
O1_3 Al1 O1_4 C1_4 79.4(8) . . . . ?
O1_1 Al1 O1_4 C1_4 -159.4(8) . . . . ?
Al1 O1_4 C1_4 C3_4 102.1(8) . . . . ?
Al1 O1_4 C1_4 C2_4 -19.5(10) . . . . ?
Al1 O1_4 C1_4 C4_4 -139.0(7) . . . . ?
O1_4 C1_4 C2_4 F3_4 84.4(5) . . . . ?
C3_4 C1_4 C2_4 F3_4 -37.3(4) . . . . ?
C4_4 C1_4 C2_4 F3_4 -156.7(3) . . . . ?
O1_4 C1_4 C2_4 F1_4 -34.7(6) . . . . ?
C3_4 C1_4 C2_4 F1_4 -156.4(4) . . . . ?
C4_4 C1_4 C2_4 F1_4 84.2(5) . . . . ?
O1_4 C1_4 C2_4 F2_4 -154.8(5) . . . . ?
C3_4 C1_4 C2_4 F2_4 83.5(4) . . . . ?
C4_4 C1_4 C2_4 F2_4 -35.9(5) . . . . ?
O1_4 C1_4 C3_4 F5_4 -47.6(5) . . . . ?
C2_4 C1_4 C3_4 F5_4 75.5(4) . . . . ?
C4_4 C1_4 C3_4 F5_4 -165.5(4) . . . . ?
O1_4 C1_4 C3_4 F4_4 71.2(5) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.6(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -46.7(5) . . . . ?
O1_4 C1_4 C3_4 F6_4 -169.1(4) . . . . ?
C2_4 C1_4 C3_4 F6_4 -45.9(4) . . . . ?
C4_4 C1_4 C3_4 F6_4 73.0(4) . . . . ?
O1_4 C1_4 C4_4 F9_4 75.2(5) . . . . ?
C3_4 C1_4 C4_4 F9_4 -165.7(3) . . . . ?
C2_4 C1_4 C4_4 F9_4 -46.3(4) . . . . ?
O1_4 C1_4 C4_4 F7_4 -43.4(6) . . . . ?
C3_4 C1_4 C4_4 F7_4 75.7(5) . . . . ?
C2_4 C1_4 C4_4 F7_4 -165.0(4) . . . . ?
O1_4 C1_4 C4_4 F8_4 -163.2(4) . . . . ?
C3_4 C1_4 C4_4 F8_4 -44.2(4) . . . . ?
C2_4 C1_4 C4_4 F8_4 75.2(4) . . . . ?
O1_6 Al2 O1_5 C1_5 -80.7(5) . . . . ?
O1_8 Al2 O1_5 C1_5 38.9(5) . . . . ?
O1_7 Al2 O1_5 C1_5 162.6(4) . . . . ?
Al2 O1_5 C1_5 C3_5 178.1(4) . . . . ?
Al2 O1_5 C1_5 C4_5 -64.0(5) . . . . ?
Al2 O1_5 C1_5 C2_5 58.3(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -45.7(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.4(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 76.9(4) . . . . ?
O1_5 C1_5 C2_5 F3_5 73.6(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 -45.1(4) . . . . ?
C4_5 C1_5 C2_5 F3_5 -163.8(3) . . . . ?
O1_5 C1_5 C2_5 F2_5 -165.4(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 75.9(4) . . . . ?
C4_5 C1_5 C2_5 F2_5 -42.8(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 73.2(4) . . . . ?
C4_5 C1_5 C3_5 F4_5 -46.2(4) . . . . ?
C2_5 C1_5 C3_5 F4_5 -165.9(3) . . . . ?
O1_5 C1_5 C3_5 F5_5 -44.9(4) . . . . ?
C4_5 C1_5 C3_5 F5_5 -164.3(3) . . . . ?
C2_5 C1_5 C3_5 F5_5 76.0(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 -165.9(3) . . . . ?
C4_5 C1_5 C3_5 F6_5 74.7(4) . . . . ?
C2_5 C1_5 C3_5 F6_5 -45.0(4) . . . . ?
O1_5 C1_5 C4_5 F9_5 81.3(4) . . . . ?
C3_5 C1_5 C4_5 F9_5 -161.0(3) . . . . ?
C2_5 C1_5 C4_5 F9_5 -41.6(4) . . . . ?
O1_5 C1_5 C4_5 F8_5 -157.2(4) . . . . ?
C3_5 C1_5 C4_5 F8_5 -39.6(5) . . . . ?
C2_5 C1_5 C4_5 F8_5 79.8(5) . . . . ?
O1_5 C1_5 C4_5 F7_5 -38.5(5) . . . . ?
C3_5 C1_5 C4_5 F7_5 79.2(4) . . . . ?
C2_5 C1_5 C4_5 F7_5 -161.4(4) . . . . ?
O1_5 Al2 O1_6 C1_6 -82.5(4) . . . . ?
O1_8 Al2 O1_6 C1_6 156.6(4) . . . . ?
O1_7 Al2 O1_6 C1_6 34.2(4) . . . . ?
Al2 O1_6 C1_6 C2_6 148.4(3) . . . . ?
Al2 O1_6 C1_6 C3_6 -92.9(4) . . . . ?
Al2 O1_6 C1_6 C4_6 27.3(5) . . . . ?
O1_6 C1_6 C2_6 F3_6 40.9(3) . . . . ?
C3_6 C1_6 C2_6 F3_6 -78.1(3) . . . . ?
C4_6 C1_6 C2_6 F3_6 163.5(3) . . . . ?
O1_6 C1_6 C2_6 F1_6 -77.9(3) . . . . ?
C3_6 C1_6 C2_6 F1_6 163.1(3) . . . . ?
C4_6 C1_6 C2_6 F1_6 44.7(3) . . . . ?
O1_6 C1_6 C2_6 F2_6 161.9(3) . . . . ?
C3_6 C1_6 C2_6 F2_6 43.0(3) . . . . ?
C4_6 C1_6 C2_6 F2_6 -75.4(3) . . . . ?
O1_6 C1_6 C3_6 F4_6 47.3(3) . . . . ?
C2_6 C1_6 C3_6 F4_6 165.9(2) . . . . ?
C4_6 C1_6 C3_6 F4_6 -75.0(3) . . . . ?
O1_6 C1_6 C3_6 F6_6 169.1(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 -72.3(3) . . . . ?
C4_6 C1_6 C3_6 F6_6 46.8(3) . . . . ?
O1_6 C1_6 C3_6 F5_6 -71.5(3) . . . . ?
C2_6 C1_6 C3_6 F5_6 47.0(3) . . . . ?
C4_6 C1_6 C3_6 F5_6 166.2(2) . . . . ?
O1_6 C1_6 C4_6 F7_6 -80.3(3) . . . . ?
C2_6 C1_6 C4_6 F7_6 159.1(2) . . . . ?
C3_6 C1_6 C4_6 F7_6 40.4(3) . . . . ?
O1_6 C1_6 C4_6 F9_6 38.7(4) . . . . ?
C2_6 C1_6 C4_6 F9_6 -81.9(3) . . . . ?
C3_6 C1_6 C4_6 F9_6 159.4(2) . . . . ?
O1_6 C1_6 C4_6 F8_6 158.7(3) . . . . ?
C2_6 C1_6 C4_6 F8_6 38.1(4) . . . . ?
C3_6 C1_6 C4_6 F8_6 -80.6(3) . . . . ?
O1_5 Al2 O1_7 C1_7 -44.2(4) . . . . ?
O1_6 Al2 O1_7 C1_7 -164.7(4) . . . . ?
O1_8 Al2 O1_7 C1_7 76.9(4) . . . . ?
Al2 O1_7 C1_7 C2_7 72.9(5) . . . . ?
Al2 O1_7 C1_7 C4_7 -50.0(5) . . . . ?
Al2 O1_7 C1_7 C3_7 -169.0(3) . . . . ?
O1_7 C1_7 C2_7 F3_7 40.2(4) . . . . ?
C4_7 C1_7 C2_7 F3_7 164.4(3) . . . . ?
C3_7 C1_7 C2_7 F3_7 -77.5(3) . . . . ?
O1_7 C1_7 C2_7 F2_7 160.6(3) . . . . ?
C4_7 C1_7 C2_7 F2_7 -75.2(4) . . . . ?
C3_7 C1_7 C2_7 F2_7 42.9(4) . . . . ?
O1_7 C1_7 C2_7 F1_7 -79.1(3) . . . . ?
C4_7 C1_7 C2_7 F1_7 45.1(4) . . . . ?
C3_7 C1_7 C2_7 F1_7 163.2(3) . . . . ?
O1_7 C1_7 C3_7 F6_7 164.9(3) . . . . ?
C2_7 C1_7 C3_7 F6_7 -75.1(4) . . . . ?
C4_7 C1_7 C3_7 F6_7 43.7(4) . . . . ?
O1_7 C1_7 C3_7 F4_7 44.1(3) . . . . ?
C2_7 C1_7 C3_7 F4_7 164.1(3) . . . . ?
C4_7 C1_7 C3_7 F4_7 -77.1(3) . . . . ?
O1_7 C1_7 C3_7 F5_7 -73.6(3) . . . . ?
C2_7 C1_7 C3_7 F5_7 46.4(3) . . . . ?
C4_7 C1_7 C3_7 F5_7 165.2(3) . . . . ?
O1_7 C1_7 C4_7 F9_7 45.4(4) . . . . ?
C2_7 C1_7 C4_7 F9_7 -78.4(4) . . . . ?
C3_7 C1_7 C4_7 F9_7 163.7(3) . . . . ?
O1_7 C1_7 C4_7 F7_7 -73.9(4) . . . . ?
C2_7 C1_7 C4_7 F7_7 162.4(3) . . . . ?
C3_7 C1_7 C4_7 F7_7 44.5(4) . . . . ?
O1_7 C1_7 C4_7 F8_7 165.3(3) . . . . ?
C2_7 C1_7 C4_7 F8_7 41.6(4) . . . . ?
C3_7 C1_7 C4_7 F8_7 -76.3(4) . . . . ?
O1_5 Al2 O1_8 C1_8 -158.8(4) . . . . ?
O1_6 Al2 O1_8 C1_8 -36.2(4) . . . . ?
O1_7 Al2 O1_8 C1_8 81.7(4) . . . . ?
Al2 O1_8 C1_8 C2_8 -170.1(3) . . . . ?
Al2 O1_8 C1_8 C4_8 68.7(5) . . . . ?
Al2 O1_8 C1_8 C3_8 -51.1(5) . . . . ?
O1_8 C1_8 C2_8 F3_8 43.9(4) . . . . ?
C4_8 C1_8 C2_8 F3_8 165.8(3) . . . . ?
C3_8 C1_8 C2_8 F3_8 -76.8(3) . . . . ?
O1_8 C1_8 C2_8 F2_8 165.0(3) . . . . ?
C4_8 C1_8 C2_8 F2_8 -73.1(4) . . . . ?
C3_8 C1_8 C2_8 F2_8 44.3(5) . . . . ?
O1_8 C1_8 C2_8 F1_8 -74.5(4) . . . . ?
C4_8 C1_8 C2_8 F1_8 47.4(4) . . . . ?
C3_8 C1_8 C2_8 F1_8 164.8(3) . . . . ?
O1_8 C1_8 C3_8 F4_8 43.7(4) . . . . ?
C2_8 C1_8 C3_8 F4_8 162.6(3) . . . . ?
C4_8 C1_8 C3_8 F4_8 -78.4(3) . . . . ?
O1_8 C1_8 C3_8 F5_8 -75.9(3) . . . . ?
C2_8 C1_8 C3_8 F5_8 43.0(4) . . . . ?
C4_8 C1_8 C3_8 F5_8 162.0(3) . . . . ?
O1_8 C1_8 C3_8 F6_8 163.4(3) . . . . ?
C2_8 C1_8 C3_8 F6_8 -77.7(4) . . . . ?
C4_8 C1_8 C3_8 F6_8 41.4(3) . . . . ?
O1_8 C1_8 C4_8 F9_8 40.4(4) . . . . ?
C2_8 C1_8 C4_8 F9_8 -79.7(3) . . . . ?
C3_8 C1_8 C4_8 F9_8 162.4(3) . . . . ?
O1_8 C1_8 C4_8 F7_8 -79.6(3) . . . . ?
C2_8 C1_8 C4_8 F7_8 160.3(3) . . . . ?
C3_8 C1_8 C4_8 F7_8 42.3(3) . . . . ?
O1_8 C1_8 C4_8 F8_8 160.5(3) . . . . ?
C2_8 C1_8 C4_8 F8_8 40.3(4) . . . . ?
C3_8 C1_8 C4_8 F8_8 -77.6(3) . . . . ?
C4 P4 C1_10 C2_10 -58.49(19) . . . . ?
C1_11 P4 C1_10 C2_10 -168.93(16) . . . . ?
Ga2 P4 C1_10 C2_10 58.55(18) . . . . ?
C4 P4 C1_10 C6_10 177.25(18) . . . . ?
C1_11 P4 C1_10 C6_10 66.8(2) . . . . ?
Ga2 P4 C1_10 C6_10 -65.7(2) . . . . ?
C6_10 C1_10 C2_10 C3_10 -59.0(2) . . . . ?
P4 C1_10 C2_10 C3_10 177.01(16) . . . . ?
C1_10 C2_10 C3_10 C4_10 59.4(3) . . . . ?
C2_10 C3_10 C4_10 C5_10 -56.9(4) . . . . ?
C3_10 C4_10 C5_10 C6_10 53.5(4) . . . . ?
C4_10 C5_10 C6_10 C1_10 -53.7(4) . . . . ?
C2_10 C1_10 C6_10 C5_10 56.8(3) . . . . ?
P4 C1_10 C6_10 C5_10 -176.4(2) . . . . ?
C1_10 P4 C1_11 C2_11 163.39(17) . . . . ?
C4 P4 C1_11 C2_11 51.4(2) . . . . ?
Ga2 P4 C1_11 C2_11 -62.89(19) . . . . ?
C1_10 P4 C1_11 C6_11 38.0(2) . . . . ?
C4 P4 C1_11 C6_11 -74.0(2) . . . . ?
Ga2 P4 C1_11 C6_11 171.67(16) . . . . ?
C6_11 C1_11 C2_11 C3_11 -55.9(3) . . . . ?
P4 C1_11 C2_11 C3_11 177.5(2) . . . . ?
C1_11 C2_11 C3_11 C4_11 58.3(3) . . . . ?
C2_11 C3_11 C4_11 C5_11 -59.6(3) . . . . ?
C3_11 C4_11 C5_11 C6_11 59.7(4) . . . . ?
C2_11 C1_11 C6_11 C5_11 53.2(3) . . . . ?
P4 C1_11 C6_11 C5_11 178.0(2) . . . . ?
C4_11 C5_11 C6_11 C1_11 -55.7(3) . . . . ?
C3 P3 C1_12 C2_12 -38.6(4) . . . . ?
C1_13 P3 C1_12 C2_12 69.7(4) . . . . ?
Ga2 P3 C1_12 C2_12 -155.9(3) . . . . ?
C3 P3 C1_12 C6_12 86.9(3) . . . . ?
C1_13 P3 C1_12 C6_12 -164.8(3) . . . . ?
Ga2 P3 C1_12 C6_12 -30.4(4) . . . . ?
C6_12 C1_12 C2_12 C3_12 57.4(5) . . . . ?
P3 C1_12 C2_12 C3_12 -176.7(4) . . . . ?
C1_12 C2_12 C3_12 C4_12 -56.2(6) . . . . ?
C2_12 C3_12 C4_12 C5_12 55.6(7) . . . . ?
C3_12 C4_12 C5_12 C6_12 -56.6(7) . . . . ?
C4_12 C5_12 C6_12 C1_12 57.7(6) . . . . ?
C2_12 C1_12 C6_12 C5_12 -58.3(5) . . . . ?
P3 C1_12 C6_12 C5_12 173.7(4) . . . . ?
C1_15 P3 C1_14 C6_14 -50.2(4) . . . . ?
C3 P3 C1_14 C6_14 -171.3(3) . . . . ?
Ga2 P3 C1_14 C6_14 83.7(3) . . . . ?
C1_15 P3 C1_14 C2_14 78.1(4) . . . . ?
C3 P3 C1_14 C2_14 -43.1(4) . . . . ?
Ga2 P3 C1_14 C2_14 -148.0(3) . . . . ?
C6_14 C1_14 C2_14 C3_14 -52.6(6) . . . . ?
P3 C1_14 C2_14 C3_14 179.4(4) . . . . ?
C1_14 C2_14 C3_14 C4_14 56.0(6) . . . . ?
C2_14 C3_14 C4_14 C5_14 -58.8(6) . . . . ?
C3_14 C4_14 C5_14 C6_14 59.3(6) . . . . ?
C2_14 C1_14 C6_14 C5_14 51.7(5) . . . . ?
P3 C1_14 C6_14 C5_14 -179.0(3) . . . . ?
C4_14 C5_14 C6_14 C1_14 -55.8(6) . . . . ?
C6_13 C1_13 C2_13 C3_13 -58.5(5) . . . . ?
P3 C1_13 C2_13 C3_13 170.4(3) . . . . ?
C1_13 C2_13 C3_13 C4_13 59.5(5) . . . . ?
C2_13 C3_13 C4_13 C5_13 -58.0(6) . . . . ?
C3_13 C4_13 C5_13 C6_13 56.5(7) . . . . ?
C2_13 C1_13 C6_13 C5_13 56.0(5) . . . . ?
P3 C1_13 C6_13 C5_13 -175.7(3) . . . . ?
C4_13 C5_13 C6_13 C1_13 -55.8(6) . . . . ?
C3 P3 C1_15 C2_15 69.0(5) . . . . ?
C1_14 P3 C1_15 C2_15 -44.9(5) . . . . ?
Ga2 P3 C1_15 C2_15 -167.5(3) . . . . ?
C3 P3 C1_15 C6_15 -54.3(4) . . . . ?
C1_14 P3 C1_15 C6_15 -168.2(4) . . . . ?
Ga2 P3 C1_15 C6_15 69.2(4) . . . . ?
C6_15 C1_15 C2_15 C3_15 -58.7(6) . . . . ?
P3 C1_15 C2_15 C3_15 179.1(4) . . . . ?
C1_15 C2_15 C3_15 C4_15 58.2(6) . . . . ?
C2_15 C3_15 C4_15 C5_15 -56.6(7) . . . . ?
C3_15 C4_15 C5_15 C6_15 55.1(7) . . . . ?
C4_15 C5_15 C6_15 C1_15 -56.8(7) . . . . ?
C2_15 C1_15 C6_15 C5_15 59.2(6) . . . . ?
P3 C1_15 C6_15 C5_15 -174.9(4) . . . . ?
C1_17 N1 C1_16 C6_16 -105.2(3) . . . . ?
Ga2 N1 C1_16 C6_16 69.9(3) . . . . ?
C1_17 N1 C1_16 C2_16 75.5(4) . . . . ?
Ga2 N1 C1_16 C2_16 -109.4(3) . . . . ?
C6_16 C1_16 C2_16 C3_16 -0.7(6) . . . . ?
N1 C1_16 C2_16 C3_16 178.7(4) . . . . ?
C1_16 C2_16 C3_16 C4_16 -0.5(7) . . . . ?
C2_16 C3_16 C4_16 C5_16 1.1(7) . . . . ?
C3_16 C4_16 C5_16 C6_16 -0.5(6) . . . . ?
C2_16 C1_16 C6_16 C5_16 1.3(5) . . . . ?
N1 C1_16 C6_16 C5_16 -178.1(2) . . . . ?
C4_16 C5_16 C6_16 C1_16 -0.7(4) . . . . ?
C1_16 N1 C1_17 C2_17 163.1(2) . . . . ?
Ga2 N1 C1_17 C2_17 -12.3(3) . . . . ?
C1_16 N1 C1_17 C6_17 -17.9(3) . . . . ?
Ga2 N1 C1_17 C6_17 166.7(2) . . . . ?
N1 C1_17 C2_17 C3_17 176.8(2) . . . . ?
C6_17 C1_17 C2_17 C3_17 -2.3(3) . . . . ?
C1_17 C2_17 C3_17 C4_17 1.4(4) . . . . ?
C2_17 C3_17 C4_17 C5_17 0.4(4) . . . . ?
C3_17 C4_17 C5_17 C6_17 -1.3(5) . . . . ?
C4_17 C5_17 C6_17 C1_17 0.4(5) . . . . ?
N1 C1_17 C6_17 C5_17 -177.6(3) . . . . ?
C2_17 C1_17 C6_17 C5_17 1.4(4) . . . . ?
O1_19 Al1 O1_18 C1_18 39(4) . . . . ?
Al1 O1_18 C1_18 C3_18 19(4) . . . . ?
Al1 O1_18 C1_18 C2_18 -103(3) . . . . ?
Al1 O1_18 C1_18 C4_18 139(3) . . . . ?
O1_18 C1_18 C2_18 F2_18 166.5(16) . . . . ?
C3_18 C1_18 C2_18 F2_18 44.1(13) . . . . ?
C4_18 C1_18 C2_18 F2_18 -76.0(13) . . . . ?
O1_18 C1_18 C2_18 F1_18 -74.2(15) . . . . ?
C3_18 C1_18 C2_18 F1_18 163.4(8) . . . . ?
C4_18 C1_18 C2_18 F1_18 43.3(11) . . . . ?
O1_18 C1_18 C2_18 F3_18 44.9(17) . . . . ?
C3_18 C1_18 C2_18 F3_18 -77.5(12) . . . . ?
C4_18 C1_18 C2_18 F3_18 162.4(11) . . . . ?
O1_18 C1_18 C3_18 F4_18 38.8(17) . . . . ?
C2_18 C1_18 C3_18 F4_18 158.9(10) . . . . ?
C4_18 C1_18 C3_18 F4_18 -81.2(12) . . . . ?
O1_18 C1_18 C3_18 F6_18 161.2(18) . . . . ?
C2_18 C1_18 C3_18 F6_18 -78.6(15) . . . . ?
C4_18 C1_18 C3_18 F6_18 41.2(15) . . . . ?
O1_18 C1_18 C3_18 F5_18 -79.3(16) . . . . ?
C2_18 C1_18 C3_18 F5_18 40.8(11) . . . . ?
C4_18 C1_18 C3_18 F5_18 160.7(9) . . . . ?
O1_18 C1_18 C4_18 F9_18 39.7(15) . . . . ?
C3_18 C1_18 C4_18 F9_18 161.9(9) . . . . ?
C2_18 C1_18 C4_18 F9_18 -77.7(11) . . . . ?
O1_18 C1_18 C4_18 F7_18 -78.9(14) . . . . ?
C3_18 C1_18 C4_18 F7_18 43.3(11) . . . . ?
C2_18 C1_18 C4_18 F7_18 163.7(8) . . . . ?
O1_18 C1_18 C4_18 F8_18 162.2(16) . . . . ?
C3_18 C1_18 C4_18 F8_18 -75.5(13) . . . . ?
C2_18 C1_18 C4_18 F8_18 44.9(14) . . . . ?
O1_18 Al1 O1_19 C1_19 -175(4) . . . . ?
Al1 O1_19 C1_19 C3_19 -173(4) . . . . ?
Al1 O1_19 C1_19 C4_19 -53(5) . . . . ?
Al1 O1_19 C1_19 C2_19 68(5) . . . . ?
O1_19 C1_19 C2_19 F1_19 -80.1(17) . . . . ?
C3_19 C1_19 C2_19 F1_19 160.6(10) . . . . ?
C4_19 C1_19 C2_19 F1_19 41.6(13) . . . . ?
O1_19 C1_19 C2_19 F3_19 39.4(19) . . . . ?
C3_19 C1_19 C2_19 F3_19 -79.9(14) . . . . ?
C4_19 C1_19 C2_19 F3_19 161.1(12) . . . . ?
O1_19 C1_19 C2_19 F2_19 159.2(16) . . . . ?
C3_19 C1_19 C2_19 F2_19 39.9(13) . . . . ?
C4_19 C1_19 C2_19 F2_19 -79.1(12) . . . . ?
O1_19 C1_19 C3_19 F6_19 166.3(16) . . . . ?
C4_19 C1_19 C3_19 F6_19 44.6(13) . . . . ?
C2_19 C1_19 C3_19 F6_19 -75.2(13) . . . . ?
O1_19 C1_19 C3_19 F5_19 -73.0(19) . . . . ?
C4_19 C1_19 C3_19 F5_19 165.4(13) . . . . ?
C2_19 C1_19 C3_19 F5_19 45.6(16) . . . . ?
O1_19 C1_19 C3_19 F4_19 44(2) . . . . ?
C4_19 C1_19 C3_19 F4_19 -77.7(16) . . . . ?
C2_19 C1_19 C3_19 F4_19 162.4(14) . . . . ?
O1_19 C1_19 C4_19 F7_19 -75.0(16) . . . . ?
C3_19 C1_19 C4_19 F7_19 45.5(13) . . . . ?
C2_19 C1_19 C4_19 F7_19 165.2(10) . . . . ?
O1_19 C1_19 C4_19 F9_19 46(2) . . . . ?
C3_19 C1_19 C4_19 F9_19 166.2(18) . . . . ?
C2_19 C1_19 C4_19 F9_19 -74.1(19) . . . . ?
O1_19 C1_19 C4_19 F8_19 164.8(17) . . . . ?
C3_19 C1_19 C4_19 F8_19 -74.7(15) . . . . ?
C2_19 C1_19 C4_19 F8_19 45.0(15) . . . . ?
C2 P2 C1_9 C2_9 -176.88(18) . . . . ?
C1_21 P2 C1_9 C2_9 69.0(2) . . . . ?
Ga1 P2 C1_9 C2_9 -66.72(19) . . . . ?
C2 P2 C1_9 C6_9 55.6(2) . . . . ?
C1_21 P2 C1_9 C6_9 -58.5(2) . . . . ?
Ga1 P2 C1_9 C6_9 165.74(19) . . . . ?
C6_9 C1_9 C2_9 C3_9 -57.9(3) . . . . ?
P2 C1_9 C2_9 C3_9 170.9(2) . . . . ?
C1_9 C2_9 C3_9 C4_9 55.7(4) . . . . ?
C2_9 C3_9 C4_9 C5_9 -55.0(4) . . . . ?
C3_9 C4_9 C5_9 C6_9 56.4(4) . . . . ?
C4_9 C5_9 C6_9 C1_9 -57.8(3) . . . . ?
C2_9 C1_9 C6_9 C5_9 59.0(3) . . . . ?
P2 C1_9 C6_9 C5_9 -173.3(2) . . . . ?
C1 P1 C1_20 C2_20 -168.91(16) . . . . ?
C1_22 P1 C1_20 C2_20 -57.01(18) . . . . ?
Ga1 P1 C1_20 C2_20 77.59(16) . . . . ?
C1 P1 C1_20 C6_20 66.00(19) . . . . ?
C1_22 P1 C1_20 C6_20 177.91(16) . . . . ?
Ga1 P1 C1_20 C6_20 -47.50(18) . . . . ?
C6_20 C1_20 C2_20 C3_20 -56.9(3) . . . . ?
P1 C1_20 C2_20 C3_20 176.27(17) . . . . ?
C1_20 C2_20 C3_20 C4_20 55.1(3) . . . . ?
C2_20 C3_20 C4_20 C5_20 -54.1(3) . . . . ?
C3_20 C4_20 C5_20 C6_20 55.0(3) . . . . ?
C4_20 C5_20 C6_20 C1_20 -57.0(3) . . . . ?
C2_20 C1_20 C6_20 C5_20 57.9(3) . . . . ?
P1 C1_20 C6_20 C5_20 -176.30(17) . . . . ?
C1_9 P2 C1_21 C2_21 -163.76(18) . . . . ?
C2 P2 C1_21 C2_21 81.0(2) . . . . ?
Ga1 P2 C1_21 C2_21 -36.2(2) . . . . ?
C1_9 P2 C1_21 C6_21 72.5(2) . . . . ?
C2 P2 C1_21 C6_21 -42.8(2) . . . . ?
Ga1 P2 C1_21 C6_21 -159.99(14) . . . . ?
C6_21 C1_21 C2_21 C3_21 -55.4(3) . . . . ?
P2 C1_21 C2_21 C3_21 178.5(2) . . . . ?
C1_21 C2_21 C3_21 C4_21 56.5(4) . . . . ?
C2_21 C3_21 C4_21 C5_21 -55.5(4) . . . . ?
C3_21 C4_21 C5_21 C6_21 54.9(4) . . . . ?
C4_21 C5_21 C6_21 C1_21 -55.7(3) . . . . ?
C2_21 C1_21 C6_21 C5_21 55.3(3) . . . . ?
P2 C1_21 C6_21 C5_21 179.44(18) . . . . ?
C1 P1 C1_22 C6_22 -63.86(18) . . . . ?
C1_20 P1 C1_22 C6_22 -174.54(16) . . . . ?
Ga1 P1 C1_22 C6_22 53.41(18) . . . . ?
C1 P1 C1_22 C2_22 63.2(2) . . . . ?
C1_20 P1 C1_22 C2_22 -47.4(2) . . . . ?
Ga1 P1 C1_22 C2_22 -179.49(15) . . . . ?
C6_22 C1_22 C2_22 C3_22 -57.3(3) . . . . ?
P1 C1_22 C2_22 C3_22 175.34(19) . . . . ?
C1_22 C2_22 C3_22 C4_22 56.7(3) . . . . ?
C2_22 C3_22 C4_22 C5_22 -55.9(3) . . . . ?
C3_22 C4_22 C5_22 C6_22 55.1(3) . . . . ?
C4_22 C5_22 C6_22 C1_22 -55.2(3) . . . . ?
C2_22 C1_22 C6_22 C5_22 56.6(3) . . . . ?
P1 C1_22 C6_22 C5_22 -174.87(17) . . . . ?
Al2 O1_23 C1_23 C2_23 -179(3) . . . . ?
Al2 O1_23 C1_23 C3_23 -54(4) . . . . ?
Al2 O1_23 C1_23 C4_23 61(4) . . . . ?
O1_23 C1_23 C2_23 F3_23 39(2) . . . . ?
C3_23 C1_23 C2_23 F3_23 -84.6(18) . . . . ?
C4_23 C1_23 C2_23 F3_23 161.5(16) . . . . ?
O1_23 C1_23 C2_23 F2_23 161.6(17) . . . . ?
C3_23 C1_23 C2_23 F2_23 38.0(18) . . . . ?
C4_23 C1_23 C2_23 F2_23 -75.9(17) . . . . ?
O1_23 C1_23 C2_23 F1_23 -80.8(17) . . . . ?
C3_23 C1_23 C2_23 F1_23 155.6(15) . . . . ?
C4_23 C1_23 C2_23 F1_23 41.6(17) . . . . ?
O1_23 C1_23 C3_23 F5_23 -72.1(19) . . . . ?
C2_23 C1_23 C3_23 F5_23 51.4(18) . . . . ?
C4_23 C1_23 C3_23 F5_23 167.9(16) . . . . ?
O1_23 C1_23 C3_23 F6_23 169.2(17) . . . . ?
C2_23 C1_23 C3_23 F6_23 -67.2(18) . . . . ?
C4_23 C1_23 C3_23 F6_23 49.3(17) . . . . ?
O1_23 C1_23 C3_23 F4_23 54(2) . . . . ?
C2_23 C1_23 C3_23 F4_23 177.6(17) . . . . ?
C4_23 C1_23 C3_23 F4_23 -65.9(18) . . . . ?
O1_23 C1_23 C4_23 F9_23 40.2(19) . . . . ?
C2_23 C1_23 C4_23 F9_23 -81.1(18) . . . . ?
C3_23 C1_23 C4_23 F9_23 158.9(16) . . . . ?
O1_23 C1_23 C4_23 F7_23 -78.6(19) . . . . ?
C2_23 C1_23 C4_23 F7_23 160.1(17) . . . . ?
C3_23 C1_23 C4_23 F7_23 40.1(18) . . . . ?
O1_23 C1_23 C4_23 F8_23 162.7(15) . . . . ?
C2_23 C1_23 C4_23 F8_23 41.4(16) . . . . ?
C3_23 C1_23 C4_23 F8_23 -78.6(15) . . . . ?

_vrf_DIFMX02_P-1_a               
;PROBLEM: The maximum difference density is > 0.1*ZMAX*0.75
RESPONSE: see the comment regarding the B alert.
;
_vrf_PLAT094_P-1_a               
;PROBLEM: Ratio of Maximum / Minimum Residual Density ....       4.55 Report
RESPONSE: The residual electron density of Q1 is relatively large (ca. 2.6 
e/Angstrom3). The distance between the two most intense Q-Peaks is 2.5 Angtrom, 
which is exactly the distance between the two Ga atoms in the dimer. The most 
intense Q-peak is only 1 Angstrom away from a Ga atom and, as a consequence, the
 Q peak cannot be caused by an atom of the same occupancy, since even Ga-H bonds
 are longer (at least 1.4-1.5 Angstrom). Thus, it is highly likely that the 
whole dimer is disordered and that the two most intense Q-Peaks are caused by 
the minor part of the disordered Ga(II)-Ga(II) moiety. However, treating this 
disorder is probematic: the Q1-peak is almost twice as intense as the Q2-peak 
(2.6 vs. 1.4 e/Angstrom3). This discrepancy, which could be attributed to the 
difficulty of determining electron density in close proximity to heavy elements 
like Ga, impedes placing the same elements (i.e. Ga) with the same occupation 
number on these positions. In addition, it should be taken into account that the
 electron density of the two Ga atoms of the main part in this structure is ca. 
51 e/Angstrom3. Consequently, the minor part of the disordered cation only makes
 up 3-4% of the overall cations, which leads to another problem: While the Ga 
atoms of the disordered fragments translate into intense Q-peaks, the carbon 
atoms of the disordered ligand fragments cannot be identified, due to their 
considerably lower electron density. However, apart from the relatively high 
electron density of Q1, all other structure parameters, as well as the quality 
factors, are inconspicuous. Taking these factors into account, describing a 
whole molecule disorder is not reasonable in this case.
;
_vrf_PLAT097_P-1_a               
;PROBLEM: Large Reported Max.  (Positive) Residual Density       2.58 eA-3  
RESPONSE: see the comment regarding the B alert.
;
_vrf_PLAT971_P-1_a               
;PROBLEM: Check Calcd Resid. Dens.  1.13Ang From Ga1             2.31 eA-3  
RESPONSE: see the comment regarding the B alert.
;
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P-1_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2490061'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy' 'Albert Ludwigs university Freiburg'
_audit_update_record             
;
2025-09-21 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V152 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C278 H297 Al7 F244 Ga6 O26 P12'
_chemical_formula_moiety         
'C24 Al2 F55 O6, 5(C16 Al F36 O4), 3(C58 H99 F3 Ga2 P4)'
_chemical_formula_weight         9668.99
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.462(5)
_cell_length_b                   27.562(6)
_cell_length_c                   37.435(9)
_cell_angle_alpha                86.961(6)
_cell_angle_beta                 88.862(7)
_cell_angle_gamma                75.387(10)
_cell_volume                     18406(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9744
_cell_measurement_theta_min      2.182
_cell_measurement_theta_max      26.5005
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were obtained by layering a concentrated oDFB solution with n-pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_F_000             9652
_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.322
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6849
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            1009603
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_theta_min         1.267
_diffrn_reflns_theta_max         27.628
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_limit_l_max       48
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             85023
_reflns_number_gt                65756
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS 8.5.5.6/2024-10-24 and APEX6 2024.9-0'
_computing_cell_refinement       'SAINT V8.41'
_computing_data_reduction        'SAINT V8.41'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1153P)²+125.7410P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         85023
_refine_ls_number_parameters     8698
_refine_ls_number_restraints     328226
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_gt           0.0990
_refine_ls_wR_factor_ref         0.2809
_refine_ls_wR_factor_gt          0.2598
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.446
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga -0.06306(3) 0.61416(2) 0.16791(2) 0.02048(11) Uani 1 1 d . . . . .
Ga2 Ga -0.06555(3) 0.55595(2) 0.21973(2) 0.02364(12) Uani 1 1 d . . . . .
Ga3 Ga 0.75538(3) 0.10907(2) 1.15797(2) 0.02313(12) Uani 1 1 d . . . . .
Ga4 Ga 0.64303(3) 0.12670(2) 1.12067(2) 0.02443(12) Uani 1 1 d . . . . .
Ga5 Ga 0.69165(3) 0.17606(2) 0.56226(2) 0.02466(12) Uani 1 1 d . . . . .
Ga6 Ga 0.61843(3) 0.23907(2) 0.51985(2) 0.02735(13) Uani 1 1 d . . . . .
P1 P 0.88082(7) 0.06296(6) 1.14103(4) 0.0289(3) Uani 1 1 d D . . . .
P2 P 0.81793(8) 0.17449(5) 1.17379(4) 0.0306(3) Uani 1 1 d D . . . .
Al1 Al 0.14666(9) 0.19649(6) 1.05531(4) 0.0243(3) Uani 1 1 d . . . . .
Al2 Al 0.50302(9) 0.45731(6) 0.29377(4) 0.0258(3) Uani 1 1 d . . . . .
Al3 Al 0.19528(11) 0.17441(7) 0.33222(5) 0.0325(4) Uani 1 1 d . . . . .
F3 F -0.00514(18) 0.67680(12) 0.10333(9) 0.0304(7) Uani 1 1 d . . . . .
Al4 Al 0.65532(9) 0.18763(8) 0.84602(4) 0.0314(4) Uani 1 1 d . . . . .
Al5 Al 0.22493(10) 0.08144(7) 0.63779(5) 0.0302(4) Uani 1 1 d . . . . .
Al6 Al 0.02495(12) 0.43909(7) 0.48333(6) 0.0408(4) Uani 1 1 d . . . . .
Al7 Al 0.41341(10) 0.50730(7) 1.02267(5) 0.0301(4) Uani 1 1 d . . . . .
F9 F 0.4960(2) 0.28322(16) 0.45834(9) 0.0436(9) Uani 1 1 d . . . . .
F6 F 0.5175(2) 0.19056(19) 1.06655(11) 0.0534(11) Uani 1 1 d . U . . .
F5 F 0.7782(2) 0.1484(2) 1.07946(11) 0.0554(11) Uani 1 1 d . U . . .
F2 F 0.09041(18) 0.58000(12) 0.20742(9) 0.0299(7) Uani 1 1 d . . . . .
F1 F -0.1543(2) 0.53714(14) 0.22682(9) 0.0387(8) Uani 1 1 d . . . . .
F27 F 0.500000 0.500000 1.000000 0.0345(10) Uani 1 2 d S . P F .
F28 F 0.000000 0.500000 0.500000 0.0451(13) Uani 1 2 d S . P J .
F8 F 0.5116(2) 0.19771(19) 0.57103(11) 0.0526(11) Uani 1 1 d . . . . .
F4 F 0.74665(14) 0.07513(11) 1.20432(9) 0.0275(7) Uani 1 1 d . . . . .
F7 F 0.78721(19) 0.18112(13) 0.56480(9) 0.0344(7) Uani 1 1 d . . . . .
C2 C 0.0995(3) 0.60765(19) 0.17686(14) 0.0266(11) Uani 1 1 d D . . . .
C7 C 0.6476(3) 0.1671(2) 1.07518(14) 0.0295(10) Uani 1 1 d D U . . .
C6 C 0.0528(3) 0.65496(19) 0.12604(14) 0.0259(10) Uani 1 1 d D . . . .
C12 C 0.5868(3) 0.1923(2) 1.05464(15) 0.0359(11) Uani 1 1 d D U . . .
C4 C 0.1812(3) 0.6415(2) 0.13929(17) 0.0403(14) Uani 1 1 d D . . . .
H4 H 0.229444 0.646263 0.133727 0.048 Uiso 1 1 calc R U . . .
C13 C 0.5106(3) 0.2387(3) 0.51394(15) 0.0380(14) Uani 1 1 d D . . . .
C9 C 0.7240(4) 0.1948(3) 1.02831(17) 0.0469(14) Uani 1 1 d D U . . .
H9 H 0.772527 0.195033 1.019548 0.056 Uiso 1 1 calc R U . . .
C10 C 0.6609(4) 0.2184(3) 1.00909(17) 0.0475(14) Uani 1 1 d D U . . .
H10 H 0.665825 0.235132 0.986655 0.057 Uiso 1 1 calc R U . . .
C11 C 0.5907(4) 0.2181(3) 1.02218(17) 0.0458(14) Uani 1 1 d D U . . .
H11 H 0.546741 0.234830 1.009435 0.055 Uiso 1 1 calc R U . . .
C8 C 0.7145(3) 0.1708(3) 1.06045(15) 0.0386(12) Uani 1 1 d D U . . .
C14 C 0.4736(4) 0.2171(3) 0.54032(17) 0.0473(17) Uani 1 1 d D . . . .
C3 C 0.1708(3) 0.6129(2) 0.16987(17) 0.0362(13) Uani 1 1 d D . . . .
H3 H 0.211324 0.597524 0.185299 0.043 Uiso 1 1 calc R U . . .
C5 C 0.1217(3) 0.6630(2) 0.11698(15) 0.0329(12) Uani 1 1 d D . . . .
H5 H 0.128012 0.682723 0.096107 0.039 Uiso 1 1 calc R U . . .
C1 C 0.0370(3) 0.62734(17) 0.15603(13) 0.0214(9) Uani 1 1 d D . . . .
C16 C 0.3589(4) 0.2349(4) 0.5087(2) 0.068(2) Uani 1 1 d D . . . .
H16 H 0.308549 0.232843 0.506664 0.082 Uiso 1 1 calc R U . . .
C18 C 0.4650(3) 0.2594(3) 0.48539(16) 0.0435(15) Uani 1 1 d D . . . .
C19 C 0.9284(3) 0.1138(3) 1.1333(2) 0.0451(17) Uani 1 1 d . . . . .
H19A H 0.982568 0.099197 1.129526 0.054 Uiso 1 1 calc R U . . .
H19B H 0.908299 0.134112 1.111426 0.054 Uiso 1 1 calc R U . . .
C20 C 0.9172(3) 0.1472(2) 1.1647(2) 0.0462(17) Uani 1 1 d . . . . .
H20A H 0.942541 0.174531 1.159714 0.055 Uiso 1 1 calc R U . . .
H20B H 0.940551 0.127339 1.186228 0.055 Uiso 1 1 calc R U . . .
C15 C 0.4000(4) 0.2146(4) 0.5393(2) 0.065(2) Uani 1 1 d D . . . .
H15 H 0.378086 0.199548 0.558674 0.078 Uiso 1 1 calc R U . . .
C17 C 0.3915(4) 0.2583(4) 0.4811(2) 0.058(2) Uani 1 1 d D . . . .
H17 H 0.364228 0.272889 0.460329 0.069 Uiso 1 1 calc R U . . .
O1_1 O 0.5480(3) 0.49185(17) 0.26571(16) 0.0556(14) Uani 1 1 d D U . A 1
C1_1 C 0.5731(3) 0.5334(2) 0.25862(16) 0.0391(13) Uani 1 1 d D U . A 1
C2_1 C 0.5447(4) 0.5736(2) 0.28626(19) 0.0482(15) Uani 1 1 d D U . A 1
F1_1 F 0.4734(3) 0.57609(17) 0.29507(15) 0.0651(13) Uani 1 1 d D U . A 1
F2_1 F 0.5476(3) 0.61986(14) 0.27421(13) 0.0548(11) Uani 1 1 d D U . A 1
F3_1 F 0.5848(3) 0.56270(18) 0.31638(12) 0.0609(11) Uani 1 1 d D U . A 1
C3_1 C 0.6599(3) 0.5187(2) 0.25809(17) 0.0424(13) Uani 1 1 d D U . A 1
F4_1 F 0.6860(2) 0.49247(16) 0.22976(12) 0.0509(10) Uani 1 1 d D U . A 1
F5_1 F 0.6869(3) 0.49028(17) 0.28699(12) 0.0599(12) Uani 1 1 d D U . A 1
F6_1 F 0.6878(2) 0.55909(16) 0.25730(13) 0.0520(10) Uani 1 1 d D U . A 1
C4_1 C 0.5440(4) 0.5553(3) 0.22100(19) 0.0519(16) Uani 1 1 d D U . A 1
F7_1 F 0.5540(3) 0.51905(18) 0.19763(13) 0.0597(11) Uani 1 1 d D U . A 1
F8_1 F 0.5791(3) 0.58904(18) 0.20752(13) 0.0621(12) Uani 1 1 d D U . A 1
F9_1 F 0.4708(3) 0.57698(19) 0.22266(17) 0.0735(15) Uani 1 1 d D U . A 1
O1_2 O 0.5214(3) 0.39773(16) 0.27840(14) 0.0453(11) Uani 1 1 d D U . B 1
C1_2 C 0.5632(3) 0.3619(2) 0.25812(16) 0.0416(13) Uani 1 1 d D U . B 1
C2_2 C 0.5590(4) 0.3785(3) 0.21781(19) 0.0579(17) Uani 1 1 d D U . B 1
F1_2 F 0.4901(3) 0.4034(2) 0.20919(14) 0.0806(17) Uani 1 1 d D U . B 1
F2_2 F 0.5787(4) 0.3400(2) 0.19660(14) 0.0802(16) Uani 1 1 d D U . B 1
F3_2 F 0.6051(3) 0.40872(19) 0.21067(14) 0.0706(14) Uani 1 1 d D U . B 1
C3_2 C 0.6463(4) 0.3488(2) 0.2697(2) 0.0543(17) Uani 1 1 d D U . B 1
F4_2 F 0.6554(3) 0.3211(2) 0.30094(15) 0.0760(15) Uani 1 1 d D U . B 1
F5_2 F 0.6682(3) 0.38948(18) 0.27577(15) 0.0639(12) Uani 1 1 d D U . B 1
F6_2 F 0.6923(3) 0.32291(19) 0.24546(17) 0.0776(16) Uani 1 1 d D U . B 1
C4_2 C 0.5338(4) 0.3141(2) 0.2637(2) 0.0554(17) Uani 1 1 d D U . B 1
F7_2 F 0.5170(3) 0.30577(18) 0.29779(13) 0.0663(13) Uani 1 1 d D U . B 1
F8_2 F 0.5818(3) 0.27302(17) 0.25240(17) 0.0776(16) Uani 1 1 d D U . B 1
F9_2 F 0.4702(3) 0.31933(19) 0.24510(15) 0.0687(13) Uani 1 1 d D U . B 1
O1_3 O 0.4095(3) 0.4816(2) 0.29976(19) 0.0262(14) Uani 0.675(11) 1 d D U P A 1
C1_3 C 0.3390(4) 0.4866(3) 0.2884(2) 0.0309(13) Uani 0.675(11) 1 d D U P A 1
C2_3 C 0.3273(5) 0.5124(3) 0.2507(2) 0.0384(16) Uani 0.675(11) 1 d D U P A 1
F1_3 F 0.3253(6) 0.5614(3) 0.2514(3) 0.055(2) Uani 0.675(11) 1 d D U P A 1
F2_3 F 0.2631(5) 0.5087(3) 0.2361(2) 0.0480(18) Uani 0.675(11) 1 d D U P A 1
F3_3 F 0.3826(4) 0.4918(3) 0.22909(15) 0.0523(18) Uani 0.675(11) 1 d D U P A 1
C3_3 C 0.3207(6) 0.4347(4) 0.2879(3) 0.0417(17) Uani 0.675(11) 1 d D U P A 1
F4_3 F 0.3490(6) 0.4061(4) 0.3166(3) 0.058(3) Uani 0.675(11) 1 d D U P A 1
F5_3 F 0.3493(5) 0.4105(4) 0.2589(3) 0.051(2) Uani 0.675(11) 1 d D U P A 1
F6_3 F 0.2469(5) 0.4385(6) 0.2877(4) 0.056(3) Uani 0.675(11) 1 d D U P A 1
C4_3 C 0.2854(5) 0.5193(4) 0.3151(2) 0.0453(18) Uani 0.675(11) 1 d D U P A 1
F7_3 F 0.2828(5) 0.4943(4) 0.34624(19) 0.065(2) Uani 0.675(11) 1 d D U P A 1
F8_3 F 0.2149(4) 0.5353(4) 0.3028(3) 0.060(2) Uani 0.675(11) 1 d D U P A 1
F9_3 F 0.3084(5) 0.5601(4) 0.3220(3) 0.057(2) Uani 0.675(11) 1 d D U P A 1
O1_4 O 0.2186(3) 0.0936(2) 0.59246(13) 0.0568(14) Uani 1 1 d D U . C 1
C1_4 C 0.1928(4) 0.1241(3) 0.56412(17) 0.0504(15) Uani 1 1 d D U . C 1
C2_4 C 0.2048(5) 0.1775(3) 0.5700(2) 0.076(2) Uani 1 1 d D U . C 1
F1_4 F 0.1487(4) 0.2034(2) 0.59102(17) 0.0923(19) Uani 1 1 d D U . C 1
F2_4 F 0.2062(5) 0.2025(3) 0.5395(2) 0.115(3) Uani 1 1 d D U . C 1
F3_4 F 0.2698(4) 0.1732(3) 0.58609(19) 0.105(2) Uani 1 1 d D U . C 1
C3_4 C 0.2368(5) 0.1032(3) 0.53080(19) 0.072(2) Uani 1 1 d D U . C 1
F4_4 F 0.2435(4) 0.0533(2) 0.53085(16) 0.095(2) Uani 1 1 d D U . C 1
F5_4 F 0.3057(3) 0.1122(3) 0.53119(18) 0.108(2) Uani 1 1 d D U . C 1
F6_4 F 0.2036(4) 0.1234(3) 0.50053(14) 0.106(2) Uani 1 1 d D U . C 1
C4_4 C 0.1090(4) 0.1294(3) 0.5588(2) 0.068(2) Uani 1 1 d D U . C 1
F7_4 F 0.0998(4) 0.0870(3) 0.54484(16) 0.094(2) Uani 1 1 d D U . C 1
F8_4 F 0.0777(3) 0.1695(3) 0.53762(17) 0.095(2) Uani 1 1 d D U . C 1
F9_4 F 0.0711(3) 0.1356(3) 0.59060(15) 0.0836(17) Uani 1 1 d D U . C 1
O1_5 O 0.1885(3) 0.13615(18) 0.65883(13) 0.0516(13) Uani 1 1 d D U . D 1
C1_5 C 0.1699(3) 0.1595(2) 0.68922(16) 0.0431(14) Uani 1 1 d D U . D 1
C2_5 C 0.1817(4) 0.2128(2) 0.6850(2) 0.0524(16) Uani 1 1 d D U . D 1
F1_5 F 0.2472(3) 0.2127(2) 0.67036(19) 0.0870(18) Uani 1 1 d D U . D 1
F2_5 F 0.1780(4) 0.23404(19) 0.71680(16) 0.0824(17) Uani 1 1 d D U . D 1
F3_5 F 0.1297(3) 0.24295(18) 0.66335(15) 0.0709(14) Uani 1 1 d D U . D 1
C3_5 C 0.0859(4) 0.1630(3) 0.69733(19) 0.0554(17) Uani 1 1 d D U . D 1
F4_5 F 0.0768(3) 0.1181(2) 0.70804(15) 0.0761(15) Uani 1 1 d D U . D 1
F5_5 F 0.0462(3) 0.1772(2) 0.66756(14) 0.0694(13) Uani 1 1 d D U . D 1
F6_5 F 0.0574(3) 0.1964(2) 0.72117(14) 0.0806(17) Uani 1 1 d D U . D 1
C4_5 C 0.2176(4) 0.1314(2) 0.72141(17) 0.0500(16) Uani 1 1 d D U . D 1
F7_5 F 0.2253(3) 0.08199(16) 0.72083(12) 0.0572(11) Uani 1 1 d D U . D 1
F8_5 F 0.1862(3) 0.1452(2) 0.75314(12) 0.0674(14) Uani 1 1 d D U . D 1
F9_5 F 0.2863(3) 0.1385(2) 0.72084(15) 0.0686(13) Uani 1 1 d D U . D 1
O1_6 O 0.1707(5) 0.0409(3) 0.6488(2) 0.0697(15) Uani 0.877(4) 1 d D U P C 1
C1_6 C 0.1505(4) -0.0026(3) 0.65047(19) 0.0538(11) Uani 0.877(4) 1 d D U P C 1
C2_6 C 0.1870(5) -0.0380(3) 0.6817(2) 0.0666(14) Uani 0.877(4) 1 d D U P C 1
F1_6 F 0.2566(4) -0.0618(3) 0.67264(17) 0.0888(19) Uani 0.877(4) 1 d D U P C 1
F2_6 F 0.1478(4) -0.0723(3) 0.6901(2) 0.0930(18) Uani 0.877(4) 1 d D U P C 1
F3_6 F 0.1913(4) -0.0140(3) 0.71055(16) 0.0891(18) Uani 0.877(4) 1 d D U P C 1
C3_6 C 0.0647(5) 0.0109(4) 0.6559(2) 0.0667(13) Uani 0.877(4) 1 d D U P C 1
F4_6 F 0.0268(4) 0.0487(3) 0.63657(17) 0.0919(19) Uani 0.877(4) 1 d D U P C 1
F5_6 F 0.0469(4) 0.0216(3) 0.68992(15) 0.0820(18) Uani 0.877(4) 1 d D U P C 1
F6_6 F 0.0347(4) -0.0261(3) 0.6482(2) 0.0973(19) Uani 0.877(4) 1 d D U P C 1
C4_6 C 0.1697(5) -0.0284(3) 0.6147(2) 0.0591(12) Uani 0.877(4) 1 d D U P C 1
F7_6 F 0.1251(4) -0.0049(3) 0.58831(15) 0.0735(15) Uani 0.877(4) 1 d D U P C 1
F8_6 F 0.1665(4) -0.0756(2) 0.61675(18) 0.0819(16) Uani 0.877(4) 1 d D U P C 1
F9_6 F 0.2387(4) -0.0275(3) 0.60362(16) 0.0786(15) Uani 0.877(4) 1 d D U P C 1
O1_7 O 0.6640(3) 0.22563(18) 0.80938(13) 0.0499(12) Uani 1 1 d D U . E 1
C1_7 C 0.6744(3) 0.2686(2) 0.79462(15) 0.0378(12) Uani 1 1 d D U . E 1
C2_7 C 0.6311(4) 0.2810(3) 0.75892(17) 0.0496(15) Uani 1 1 d D U . E 1
F1_7 F 0.6666(3) 0.2501(2) 0.73405(11) 0.0657(13) Uani 1 1 d D U . E 1
F2_7 F 0.6245(3) 0.32834(19) 0.74656(13) 0.0691(14) Uani 1 1 d D U . E 1
F3_7 F 0.5629(3) 0.2745(2) 0.76242(13) 0.0653(13) Uani 1 1 d D U . E 1
C3_7 C 0.6448(4) 0.3130(2) 0.81969(17) 0.0452(14) Uani 1 1 d D U . E 1
F4_7 F 0.6681(3) 0.29929(17) 0.85310(11) 0.0591(12) Uani 1 1 d D U . E 1
F5_7 F 0.5703(2) 0.32627(16) 0.82035(12) 0.0520(10) Uani 1 1 d D U . E 1
F6_7 F 0.6700(3) 0.35326(17) 0.81026(13) 0.0592(11) Uani 1 1 d D U . E 1
C4_7 C 0.7582(4) 0.2638(3) 0.7872(2) 0.071(2) Uani 1 1 d D U . E 1
F7_7 F 0.7947(3) 0.2664(3) 0.81714(19) 0.098(2) Uani 1 1 d D U . E 1
F8_7 F 0.7698(4) 0.2993(3) 0.7640(2) 0.104(2) Uani 1 1 d D U . E 1
F9_7 F 0.7903(3) 0.2196(2) 0.77384(18) 0.091(2) Uani 1 1 d D U . E 1
O1_8 O 0.6297(8) 0.1333(6) 0.8297(4) 0.040(3) Uani 0.540(6) 1 d D U P E 1
C1_8 C 0.6322(5) 0.1007(4) 0.8041(3) 0.0422(18) Uani 0.540(6) 1 d D U P E 1
C2_8 C 0.7140(6) 0.0782(4) 0.7916(3) 0.054(2) Uani 0.540(6) 1 d D U P E 1
F1_8 F 0.7503(5) 0.1145(4) 0.7880(3) 0.061(3) Uani 0.540(6) 1 d D U P E 1
F2_8 F 0.7211(6) 0.0573(4) 0.7604(3) 0.075(3) Uani 0.540(6) 1 d D U P E 1
F3_8 F 0.7504(6) 0.0434(4) 0.8151(3) 0.075(3) Uani 0.540(6) 1 d D U P E 1
C3_8 C 0.5991(7) 0.0574(5) 0.8190(4) 0.064(2) Uani 0.540(6) 1 d D U P E 1
F4_8 F 0.5254(5) 0.0712(5) 0.8202(3) 0.089(3) Uani 0.540(6) 1 d D U P E 1
F5_8 F 0.6240(8) 0.0403(5) 0.8516(3) 0.074(3) Uani 0.540(6) 1 d D U P E 1
F6_8 F 0.6170(8) 0.0179(5) 0.7979(4) 0.093(4) Uani 0.540(6) 1 d D U P E 1
C4_8 C 0.5868(6) 0.1267(4) 0.7707(3) 0.056(2) Uani 0.540(6) 1 d D U P E 1
F7_8 F 0.5234(5) 0.1570(5) 0.7809(3) 0.077(3) Uani 0.540(6) 1 d D U P E 1
F8_8 F 0.5712(6) 0.0943(4) 0.7488(3) 0.085(3) Uani 0.540(6) 1 d D U P E 1
F9_8 F 0.6219(8) 0.1565(6) 0.7520(5) 0.065(3) Uani 0.540(6) 1 d D U P E 1
O1_9 O 0.7451(6) 0.1663(4) 0.8629(3) 0.041(2) Uani 0.469(6) 1 d D U P E 1
C1_9 C 0.7911(6) 0.1497(4) 0.8909(3) 0.0432(19) Uani 0.469(6) 1 d D U P E 1
C2_9 C 0.8030(7) 0.1939(5) 0.9116(3) 0.058(3) Uani 0.469(6) 1 d D U P E 1
F1_9 F 0.8525(9) 0.2152(6) 0.8933(4) 0.087(4) Uani 0.469(6) 1 d D U P E 1
F2_9 F 0.8308(7) 0.1784(5) 0.9445(3) 0.078(3) Uani 0.469(6) 1 d D U P E 1
F3_9 F 0.7391(7) 0.2286(4) 0.9152(3) 0.072(3) Uani 0.469(6) 1 d D U P E 1
C3_9 C 0.7580(7) 0.1160(5) 0.9180(3) 0.057(3) Uani 0.469(6) 1 d D U P E 1
F4_9 F 0.7223(9) 0.0887(6) 0.8998(4) 0.066(3) Uani 0.469(6) 1 d D U P E 1
F5_9 F 0.7084(7) 0.1458(5) 0.9394(3) 0.075(3) Uani 0.469(6) 1 d D U P E 1
F6_9 F 0.8116(7) 0.0830(5) 0.9360(4) 0.071(3) Uani 0.469(6) 1 d D U P E 1
C4_9 C 0.8667(7) 0.1186(5) 0.8762(3) 0.065(3) Uani 0.469(6) 1 d D U P E 1
F7_9 F 0.8579(7) 0.0731(4) 0.8692(4) 0.085(3) Uani 0.469(6) 1 d D U P E 1
F8_9 F 0.9235(5) 0.1143(5) 0.8986(3) 0.085(3) Uani 0.469(6) 1 d D U P E 1
F9_9 F 0.8853(6) 0.1431(5) 0.8467(3) 0.077(3) Uani 0.469(6) 1 d D U P E 1
O1_10 O 0.4317(12) 0.4939(9) 1.0667(4) 0.044(3) Uani 0.625(8) 1 d D U P F 1
C1_10 C 0.4582(5) 0.5032(3) 1.0982(3) 0.0352(15) Uani 0.625(8) 1 d D U P F 1
C2_10 C 0.4062(6) 0.4921(4) 1.1285(2) 0.0489(19) Uani 0.625(8) 1 d D U P F 1
F1_10 F 0.3347(6) 0.5118(5) 1.1190(5) 0.066(3) Uani 0.625(8) 1 d D U P F 1
F2_10 F 0.4189(11) 0.5099(6) 1.1593(3) 0.074(4) Uani 0.625(8) 1 d D U P F 1
F3_10 F 0.4154(6) 0.4429(3) 1.1349(2) 0.070(2) Uani 0.625(8) 1 d D U P F 1
C3_10 C 0.5374(5) 0.4681(4) 1.1032(3) 0.0522(19) Uani 0.625(8) 1 d D U P F 1
F4_10 F 0.5863(5) 0.4839(4) 1.0829(3) 0.080(3) Uani 0.625(8) 1 d D U P F 1
F5_10 F 0.5386(9) 0.4209(4) 1.0952(4) 0.072(3) Uani 0.625(8) 1 d D U P F 1
F6_10 F 0.5605(11) 0.4664(8) 1.1372(4) 0.072(4) Uani 0.625(8) 1 d D U P F 1
C4_10 C 0.4621(6) 0.5585(3) 1.0990(3) 0.0476(18) Uani 0.625(8) 1 d D U P F 1
F7_10 F 0.4875(9) 0.5725(6) 1.0673(4) 0.074(4) Uani 0.625(8) 1 d D U P F 1
F8_10 F 0.5080(8) 0.5653(7) 1.1243(4) 0.065(4) Uani 0.625(8) 1 d D U P F 1
F9_10 F 0.3958(5) 0.5881(3) 1.1062(3) 0.072(2) Uani 0.625(8) 1 d D U P F 1
O1_11 O 0.1954(4) 0.1183(2) 0.31458(15) 0.0642(16) Uani 1 1 d D U . G 1
C1_11 C 0.1781(5) 0.0900(3) 0.2895(2) 0.071(2) Uani 1 1 d D U . G 1
C2_11 C 0.1906(7) 0.0358(3) 0.3039(3) 0.103(3) Uani 1 1 d D U . G 1
F1_11 F 0.2665(5) 0.0144(3) 0.3049(3) 0.150(4) Uani 1 1 d D U . G 1
F2_11 F 0.1586(6) 0.0081(3) 0.2839(2) 0.133(3) Uani 1 1 d D U . G 1
F3_11 F 0.1661(6) 0.0319(3) 0.3374(2) 0.134(3) Uani 1 1 d D U . G 1
C3_11 C 0.0946(6) 0.1082(4) 0.2778(3) 0.107(3) Uani 1 1 d D U . G 1
F4_11 F 0.0737(5) 0.1577(2) 0.2755(2) 0.116(3) Uani 1 1 d D U . G 1
F5_11 F 0.0537(6) 0.0889(5) 0.3035(3) 0.166(4) Uani 1 1 d D U . G 1
F6_11 F 0.0856(5) 0.0925(3) 0.2452(2) 0.141(4) Uani 1 1 d D U . G 1
C4_11 C 0.2274(7) 0.0928(4) 0.2564(3) 0.112(3) Uani 1 1 d D U . G 1
F7_11 F 0.1948(7) 0.1366(3) 0.23756(18) 0.150(4) Uani 1 1 d D U . G 1
F8_11 F 0.2310(7) 0.0548(3) 0.2347(2) 0.162(4) Uani 1 1 d D U . G 1
F9_11 F 0.2975(5) 0.0908(6) 0.2647(3) 0.210(6) Uani 1 1 d D U . G 1
O1_12 O 0.1683(7) 0.1354(3) 1.0713(2) 0.051(2) Uani 0.665(7) 1 d D U P H 1
C1_12 C 0.1923(5) 0.1014(3) 1.0983(2) 0.0487(16) Uani 0.665(7) 1 d D U P H 1
C2_12 C 0.2768(6) 0.0937(5) 1.1040(3) 0.067(2) Uani 0.665(7) 1 d D U P H 1
F1_12 F 0.3165(6) 0.0675(5) 1.0768(4) 0.114(4) Uani 0.665(7) 1 d D U P H 1
F2_12 F 0.3024(8) 0.0697(5) 1.1344(3) 0.103(4) Uani 0.665(7) 1 d D U P H 1
F3_12 F 0.2898(9) 0.1389(5) 1.1064(5) 0.099(4) Uani 0.665(7) 1 d D U P H 1
C3_12 C 0.1542(6) 0.1185(4) 1.1348(3) 0.070(2) Uani 0.665(7) 1 d D U P H 1
F4_12 F 0.0824(5) 0.1405(5) 1.1305(3) 0.103(3) Uani 0.665(7) 1 d D U P H 1
F5_12 F 0.1853(7) 0.1500(4) 1.1497(2) 0.092(3) Uani 0.665(7) 1 d D U P H 1
F6_12 F 0.1594(8) 0.0782(4) 1.1581(3) 0.111(3) Uani 0.665(7) 1 d D U P H 1
C4_12 C 0.1735(5) 0.0524(3) 1.0900(3) 0.0529(19) Uani 0.665(7) 1 d D U P H 1
F7_12 F 0.1029(5) 0.0538(4) 1.0958(3) 0.071(3) Uani 0.665(7) 1 d D U P H 1
F8_12 F 0.2114(5) 0.0135(3) 1.1102(3) 0.083(3) Uani 0.665(7) 1 d D U P H 1
F9_12 F 0.1887(6) 0.0422(3) 1.0550(2) 0.090(3) Uani 0.665(7) 1 d D U P H 1
O1_13 O 0.0622(10) 0.2104(8) 1.0339(5) 0.043(3) Uani 0.400(7) 1 d D U P H 1
C1_13 C 0.0167(7) 0.2022(4) 1.0086(3) 0.0374(18) Uani 0.400(7) 1 d D U P H 1
C2_13 C -0.0628(7) 0.2112(6) 1.0247(4) 0.057(2) Uani 0.400(7) 1 d D U P H 1
F1_13 F -0.0627(10) 0.1893(7) 1.0573(4) 0.088(4) Uani 0.400(7) 1 d D U P H 1
F2_13 F -0.1076(8) 0.1955(8) 1.0032(4) 0.091(4) Uani 0.400(7) 1 d D U P H 1
F3_13 F -0.0901(12) 0.2591(6) 1.0314(6) 0.081(5) Uani 0.400(7) 1 d D U P H 1
C3_13 C 0.0149(8) 0.2392(5) 0.9759(3) 0.050(2) Uani 0.400(7) 1 d D U P H 1
F4_13 F 0.0767(8) 0.2231(6) 0.9557(4) 0.065(4) Uani 0.400(7) 1 d D U P H 1
F5_13 F 0.0184(13) 0.2840(6) 0.9862(5) 0.064(4) Uani 0.400(7) 1 d D U P H 1
F6_13 F -0.0449(9) 0.2447(6) 0.9557(4) 0.070(3) Uani 0.400(7) 1 d D U P H 1
C4_13 C 0.0409(8) 0.1481(5) 0.9963(4) 0.053(2) Uani 0.400(7) 1 d D U P H 1
F7_13 F 0.1140(7) 0.1348(5) 0.9894(4) 0.063(3) Uani 0.400(7) 1 d D U P H 1
F8_13 F 0.0061(10) 0.1410(5) 0.9672(4) 0.073(4) Uani 0.400(7) 1 d D U P H 1
F9_13 F 0.0359(12) 0.1142(6) 1.0224(5) 0.071(4) Uani 0.400(7) 1 d D U P H 1
O1_14 O 0.5465(9) 0.4560(6) 0.3342(2) 0.040(2) Uani 0.579(7) 1 d D U P A 1
C1_14 C 0.5449(5) 0.4452(3) 0.3699(3) 0.0396(15) Uani 0.579(7) 1 d D U P A 1
C2_14 C 0.4851(5) 0.4865(4) 0.3887(3) 0.0460(17) Uani 0.579(7) 1 d D U P A 1
F1_14 F 0.4832(7) 0.5323(4) 0.3737(4) 0.055(3) Uani 0.579(7) 1 d D U P A 1
F2_14 F 0.4973(7) 0.4875(4) 0.4236(2) 0.054(2) Uani 0.579(7) 1 d D U P A 1
F3_14 F 0.4172(4) 0.4785(3) 0.3845(2) 0.0550(19) Uani 0.579(7) 1 d D U P A 1
C3_14 C 0.5267(6) 0.3941(3) 0.3795(2) 0.0445(17) Uani 0.579(7) 1 d D U P A 1
F4_14 F 0.5851(7) 0.3558(3) 0.3734(3) 0.067(3) Uani 0.579(7) 1 d D U P A 1
F5_14 F 0.4716(7) 0.3876(4) 0.3597(3) 0.063(3) Uani 0.579(7) 1 d D U P A 1
F6_14 F 0.5108(8) 0.3866(5) 0.4137(3) 0.045(2) Uani 0.579(7) 1 d D U P A 1
C4_14 C 0.6226(5) 0.4455(4) 0.3838(3) 0.0463(18) Uani 0.579(7) 1 d D U P A 1
F7_14 F 0.6781(5) 0.4199(4) 0.3637(2) 0.060(2) Uani 0.579(7) 1 d D U P A 1
F8_14 F 0.6347(9) 0.4255(6) 0.4172(2) 0.056(3) Uani 0.579(7) 1 d D U P A 1
F9_14 F 0.6334(5) 0.4913(3) 0.3836(3) 0.056(2) Uani 0.579(7) 1 d D U P A 1
O1_15 O 0.3694(6) 0.4669(3) 1.0041(3) 0.0361(19) Uani 0.687(7) 1 d D U P F 1
C1_15 C 0.3496(5) 0.4230(3) 1.0099(2) 0.0375(14) Uani 0.687(7) 1 d D U P F 1
C2_15 C 0.4080(5) 0.3843(3) 1.0327(3) 0.0541(18) Uani 0.687(7) 1 d D U P F 1
F1_15 F 0.4775(5) 0.3883(3) 1.0240(3) 0.075(3) Uani 0.687(7) 1 d D U P F 1
F2_15 F 0.4067(9) 0.3366(3) 1.0281(4) 0.083(3) Uani 0.687(7) 1 d D U P F 1
F3_15 F 0.3988(6) 0.3925(3) 1.06725(19) 0.072(2) Uani 0.687(7) 1 d D U P F 1
C3_15 C 0.2726(5) 0.4335(4) 1.0288(2) 0.0484(17) Uani 0.687(7) 1 d D U P F 1
F4_15 F 0.2175(4) 0.4550(3) 1.0071(2) 0.0630(18) Uani 0.687(7) 1 d D U P F 1
F5_15 F 0.2717(6) 0.4638(4) 1.0558(3) 0.065(2) Uani 0.687(7) 1 d D U P F 1
F6_15 F 0.2563(7) 0.3922(4) 1.0428(4) 0.071(3) Uani 0.687(7) 1 d D U P F 1
C4_15 C 0.3438(5) 0.4020(4) 0.9731(2) 0.0484(18) Uani 0.687(7) 1 d D U P F 1
F7_15 F 0.3075(5) 0.4391(3) 0.95049(18) 0.064(2) Uani 0.687(7) 1 d D U P F 1
F8_15 F 0.3051(9) 0.3670(4) 0.9743(4) 0.065(3) Uani 0.687(7) 1 d D U P F 1
F9_15 F 0.4109(4) 0.3818(3) 0.9595(2) 0.078(2) Uani 0.687(7) 1 d D U P F 1
O1_16 O 0.2204(4) 0.2126(2) 0.29928(15) 0.0667(17) Uani 1 1 d D U . I 1
C1_16 C 0.2207(5) 0.2566(3) 0.2840(2) 0.070(2) Uani 1 1 d D U . I 1
C2_16 C 0.1797(8) 0.2631(4) 0.2472(3) 0.139(4) Uani 1 1 d D U . I 1
F1_16 F 0.2265(8) 0.2347(4) 0.2241(2) 0.183(5) Uani 1 1 d D U . I 1
F2_16 F 0.1587(10) 0.3101(4) 0.2357(4) 0.257(8) Uani 1 1 d D U . I 1
F3_16 F 0.1126(6) 0.2518(5) 0.2532(4) 0.212(6) Uani 1 1 d D U . I 1
C3_16 C 0.1834(7) 0.3002(3) 0.3064(3) 0.133(4) Uani 1 1 d D U . I 1
F4_16 F 0.2083(7) 0.2873(3) 0.3410(2) 0.164(4) Uani 1 1 d D U . I 1
F5_16 F 0.1086(6) 0.3077(3) 0.3076(4) 0.205(6) Uani 1 1 d D U . I 1
F6_16 F 0.2027(9) 0.3418(3) 0.2973(3) 0.256(8) Uani 1 1 d D U . I 1
C4_16 C 0.3008(6) 0.2627(4) 0.2751(3) 0.130(4) Uani 1 1 d D U . I 1
F7_16 F 0.3311(6) 0.2678(5) 0.3078(3) 0.180(4) Uani 1 1 d D U . I 1
F8_16 F 0.2948(6) 0.3002(4) 0.2486(3) 0.173(5) Uani 1 1 d D U . I 1
F9_16 F 0.3390(5) 0.2231(4) 0.2599(3) 0.164(4) Uani 1 1 d D U . I 1
O1_17 O 0.0456(6) 0.4043(3) 0.5229(2) 0.064(2) Uani 0.753(7) 1 d D U P J 1
C1_17 C 0.0725(6) 0.3581(3) 0.5387(3) 0.0745(19) Uani 0.753(7) 1 d D U P J 1
C2_17 C 0.0471(8) 0.3191(4) 0.5178(4) 0.124(3) Uani 0.753(7) 1 d D U P J 1
F1_17 F -0.0266(7) 0.3217(5) 0.5244(5) 0.157(4) Uani 0.753(7) 1 d D U P J 1
F2_17 F 0.0897(9) 0.2727(3) 0.5239(4) 0.172(5) Uani 0.753(7) 1 d D U P J 1
F3_17 F 0.0537(8) 0.3287(4) 0.4825(3) 0.152(4) Uani 0.753(7) 1 d D U P J 1
C3_17 C 0.1578(6) 0.3452(4) 0.5408(3) 0.090(3) Uani 0.753(7) 1 d D U P J 1
F4_17 F 0.1801(7) 0.3842(4) 0.5489(4) 0.115(4) Uani 0.753(7) 1 d D U P J 1
F5_17 F 0.1846(8) 0.3314(5) 0.5077(3) 0.169(5) Uani 0.753(7) 1 d D U P J 1
F6_17 F 0.1867(5) 0.3073(3) 0.5642(3) 0.092(3) Uani 0.753(7) 1 d D U P J 1
C4_17 C 0.0409(6) 0.3579(4) 0.5770(3) 0.091(3) Uani 0.753(7) 1 d D U P J 1
F7_17 F 0.0740(6) 0.3831(4) 0.5976(2) 0.111(3) Uani 0.753(7) 1 d D U P J 1
F8_17 F 0.0514(7) 0.3106(4) 0.5904(4) 0.149(4) Uani 0.753(7) 1 d D U P J 1
F9_17 F -0.0339(5) 0.3772(4) 0.5774(3) 0.121(4) Uani 0.753(7) 1 d D U P J 1
O1_18 O 0.1352(6) 0.2353(3) 1.0902(3) 0.045(2) Uani 0.652(5) 1 d D U P H 1
C1_18 C 0.1067(5) 0.2816(3) 1.1022(2) 0.0540(17) Uani 0.652(5) 1 d D U P H 1
C2_18 C 0.0216(6) 0.2988(4) 1.0975(3) 0.081(2) Uani 0.652(5) 1 d D U P H 1
F1_18 F 0.0012(5) 0.3159(3) 1.0646(3) 0.090(3) Uani 0.652(5) 1 d D U P H 1
F2_18 F -0.0096(7) 0.3353(5) 1.1196(4) 0.126(4) Uani 0.652(5) 1 d D U P H 1
F3_18 F -0.0102(5) 0.2609(4) 1.1047(3) 0.107(3) Uani 0.652(5) 1 d D U P H 1
C3_18 C 0.1290(6) 0.2785(4) 1.1418(3) 0.069(2) Uani 0.652(5) 1 d D U P H 1
F4_18 F 0.2001(5) 0.2531(3) 1.1465(2) 0.0669(18) Uani 0.652(5) 1 d D U P H 1
F5_18 F 0.0865(6) 0.2541(4) 1.1619(2) 0.093(3) Uani 0.652(5) 1 d D U P H 1
F6_18 F 0.1179(7) 0.3231(3) 1.1558(2) 0.098(3) Uani 0.652(5) 1 d D U P H 1
C4_18 C 0.1411(6) 0.3210(4) 1.0818(3) 0.064(2) Uani 0.652(5) 1 d D U P H 1
F7_18 F 0.2128(7) 0.3135(6) 1.0904(4) 0.084(4) Uani 0.652(5) 1 d D U P H 1
F8_18 F 0.1065(6) 0.3677(3) 1.0880(3) 0.088(3) Uani 0.652(5) 1 d D U P H 1
F9_18 F 0.1380(6) 0.3160(3) 1.04647(19) 0.077(2) Uani 0.652(5) 1 d D U P H 1
O1_19 O 0.5729(4) 0.2254(3) 0.8657(2) 0.0329(16) Uani 0.559(5) 1 d D U P E 1
C1_19 C 0.5283(5) 0.2371(3) 0.8944(2) 0.0367(15) Uani 0.559(5) 1 d D U P E 1
C2_19 C 0.5519(5) 0.2778(4) 0.9156(3) 0.0429(18) Uani 0.559(5) 1 d D U P E 1
F1_19 F 0.6256(4) 0.2668(3) 0.91962(19) 0.0479(17) Uani 0.559(5) 1 d D U P E 1
F2_19 F 0.5219(5) 0.2818(3) 0.94833(18) 0.060(2) Uani 0.559(5) 1 d D U P E 1
F3_19 F 0.5295(5) 0.3224(3) 0.8985(2) 0.057(2) Uani 0.559(5) 1 d D U P E 1
C3_19 C 0.4470(5) 0.2578(4) 0.8821(3) 0.053(2) Uani 0.559(5) 1 d D U P E 1
F4_19 F 0.4185(6) 0.2200(4) 0.8720(3) 0.074(3) Uani 0.559(5) 1 d D U P E 1
F5_19 F 0.4423(4) 0.2914(3) 0.85459(19) 0.0570(19) Uani 0.559(5) 1 d D U P E 1
F6_19 F 0.4023(4) 0.2808(4) 0.9078(2) 0.075(3) Uani 0.559(5) 1 d D U P E 1
C4_19 C 0.5347(5) 0.1901(4) 0.9199(3) 0.0467(19) Uani 0.559(5) 1 d D U P E 1
F7_19 F 0.5307(7) 0.1507(4) 0.9008(3) 0.065(2) Uani 0.559(5) 1 d D U P E 1
F8_19 F 0.4798(5) 0.1950(4) 0.9439(2) 0.073(3) Uani 0.559(5) 1 d D U P E 1
F9_19 F 0.5981(4) 0.1788(3) 0.9384(2) 0.0524(18) Uani 0.559(5) 1 d D U P E 1
O1_20 O 0.0875(10) 0.4427(9) 0.4534(5) 0.094(4) Uani 0.553(8) 1 d D U P J 1
C1_20 C 0.1348(7) 0.4341(5) 0.4259(4) 0.084(2) Uani 0.553(8) 1 d D U P J 1
C2_20 C 0.1218(9) 0.4858(6) 0.4051(5) 0.119(4) Uani 0.553(8) 1 d D U P J 1
F1_20 F 0.0503(8) 0.5127(7) 0.4097(6) 0.138(5) Uani 0.553(8) 1 d D U P J 1
F2_20 F 0.1415(11) 0.4758(9) 0.3714(4) 0.153(6) Uani 0.553(8) 1 d D U P J 1
F3_20 F 0.1647(11) 0.5124(7) 0.4188(6) 0.156(5) Uani 0.553(8) 1 d D U P J 1
C3_20 C 0.2174(8) 0.4170(7) 0.4361(5) 0.111(4) Uani 0.553(8) 1 d D U P J 1
F4_20 F 0.2386(11) 0.3676(6) 0.4432(6) 0.160(6) Uani 0.553(8) 1 d D U P J 1
F5_20 F 0.2317(10) 0.4401(9) 0.4649(5) 0.148(6) Uani 0.553(8) 1 d D U P J 1
F6_20 F 0.2626(14) 0.4275(12) 0.4098(6) 0.156(6) Uani 0.553(8) 1 d D U P J 1
C4_20 C 0.1100(9) 0.3954(6) 0.4039(4) 0.118(4) Uani 0.553(8) 1 d D U P J 1
F7_20 F 0.0965(11) 0.3589(6) 0.4276(5) 0.144(5) Uani 0.553(8) 1 d D U P J 1
F8_20 F 0.1626(10) 0.3719(8) 0.3818(5) 0.164(6) Uani 0.553(8) 1 d D U P J 1
F9_20 F 0.0491(9) 0.4211(7) 0.3849(4) 0.148(5) Uani 0.553(8) 1 d D U P J 1
O1_21 O -0.0519(9) 0.4267(8) 0.4669(6) 0.074(4) Uani 0.518(8) 1 d D U P J 1
C1_21 C -0.1195(8) 0.4302(5) 0.4533(4) 0.068(2) Uani 0.518(8) 1 d D U P J 1
C2_21 C -0.1706(8) 0.4241(5) 0.4855(4) 0.086(3) Uani 0.518(8) 1 d D U P J 1
F1_21 F -0.1597(9) 0.3761(5) 0.4959(4) 0.107(4) Uani 0.518(8) 1 d D U P J 1
F2_21 F -0.2413(8) 0.4407(7) 0.4761(6) 0.105(5) Uani 0.518(8) 1 d D U P J 1
F3_21 F -0.1566(13) 0.4471(8) 0.5145(5) 0.140(6) Uani 0.518(8) 1 d D U P J 1
C3_21 C -0.1495(8) 0.4819(5) 0.4340(4) 0.090(3) Uani 0.518(8) 1 d D U P J 1
F4_21 F -0.0984(9) 0.4873(8) 0.4080(5) 0.132(5) Uani 0.518(8) 1 d D U P J 1
F5_21 F -0.1604(8) 0.5176(5) 0.4570(5) 0.111(4) Uani 0.518(8) 1 d D U P J 1
F6_21 F -0.2139(9) 0.4829(9) 0.4178(7) 0.127(6) Uani 0.518(8) 1 d D U P J 1
C4_21 C -0.1203(10) 0.3876(6) 0.4282(4) 0.099(3) Uani 0.518(8) 1 d D U P J 1
F7_21 F -0.1016(11) 0.4017(8) 0.3956(4) 0.142(5) Uani 0.518(8) 1 d D U P J 1
F8_21 F -0.1895(10) 0.3783(9) 0.4274(7) 0.140(6) Uani 0.518(8) 1 d D U P J 1
F9_21 F -0.0794(9) 0.3434(5) 0.4419(5) 0.114(4) Uani 0.518(8) 1 d D U P J 1
O1_22 O 0.1099(3) 0.2042(2) 0.34908(15) 0.0586(14) Uani 1 1 d D U . K 1
C1_22 C 0.0603(4) 0.2096(3) 0.37622(18) 0.0519(16) Uani 1 1 d D U . K 1
C2_22 C 0.0951(5) 0.2216(4) 0.4110(2) 0.074(2) Uani 1 1 d D U . K 1
F1_22 F 0.1395(4) 0.1780(3) 0.42652(15) 0.101(2) Uani 1 1 d D U . K 1
F2_22 F 0.0445(4) 0.2418(3) 0.43471(16) 0.104(2) Uani 1 1 d D U . K 1
F3_22 F 0.1387(3) 0.2523(2) 0.40389(15) 0.0772(15) Uani 1 1 d D U . K 1
C3_22 C -0.0072(5) 0.2529(4) 0.3670(3) 0.085(3) Uani 1 1 d D U . K 1
F4_22 F -0.0278(4) 0.2508(3) 0.33392(19) 0.115(2) Uani 1 1 d D U . K 1
F5_22 F 0.0102(4) 0.2971(2) 0.3696(2) 0.108(2) Uani 1 1 d D U . K 1
F6_22 F -0.0661(3) 0.2496(4) 0.3888(2) 0.121(3) Uani 1 1 d D U . K 1
C4_22 C 0.0352(5) 0.1599(4) 0.3822(3) 0.090(3) Uani 1 1 d D U . K 1
F7_22 F -0.0116(5) 0.1570(3) 0.3559(2) 0.132(3) Uani 1 1 d D U . K 1
F8_22 F 0.0060(5) 0.1560(3) 0.4146(2) 0.133(3) Uani 1 1 d D U . K 1
F9_22 F 0.0949(4) 0.1200(2) 0.38135(19) 0.098(2) Uani 1 1 d D U . K 1
O1_23 O 0.2569(6) 0.1639(4) 0.3678(3) 0.0389(18) Uani 0.697(6) 1 d D U P G 1
C1_23 C 0.3231(5) 0.1398(3) 0.3821(2) 0.0466(15) Uani 0.697(6) 1 d D U P G 1
C2_23 C 0.3354(6) 0.1697(4) 0.4143(2) 0.0571(18) Uani 0.697(6) 1 d D U P G 1
F1_23 F 0.3183(5) 0.2189(3) 0.4062(2) 0.0703(19) Uani 0.697(6) 1 d D U P G 1
F2_23 F 0.4078(4) 0.1568(3) 0.4245(2) 0.0631(19) Uani 0.697(6) 1 d D U P G 1
F3_23 F 0.2961(4) 0.1610(4) 0.44208(18) 0.082(2) Uani 0.697(6) 1 d D U P G 1
C3_23 C 0.3251(6) 0.0857(4) 0.3944(3) 0.070(2) Uani 0.697(6) 1 d D U P G 1
F4_23 F 0.3367(6) 0.0561(3) 0.3663(2) 0.093(3) Uani 0.697(6) 1 d D U P G 1
F5_23 F 0.2604(5) 0.0851(4) 0.4111(3) 0.104(3) Uani 0.697(6) 1 d D U P G 1
F6_23 F 0.3798(6) 0.0665(5) 0.4188(3) 0.094(3) Uani 0.697(6) 1 d D U P G 1
C4_23 C 0.3868(5) 0.1390(4) 0.3544(2) 0.0511(17) Uani 0.697(6) 1 d D U P G 1
F7_23 F 0.3651(4) 0.1281(3) 0.32220(17) 0.067(2) Uani 0.697(6) 1 d D U P G 1
F8_23 F 0.4509(4) 0.1071(3) 0.36147(19) 0.0559(17) Uani 0.697(6) 1 d D U P G 1
F9_23 F 0.3996(4) 0.1841(3) 0.34973(19) 0.0622(18) Uani 0.697(6) 1 d D U P G 1
O1_24 O 0.3119(4) 0.0527(3) 0.6515(2) 0.0488(18) Uani 0.699(7) 1 d D U P C 1
C1_24 C 0.3864(5) 0.0412(3) 0.6477(2) 0.0471(15) Uani 0.699(7) 1 d D U P C 1
C2_24 C 0.4106(5) 0.0027(4) 0.6185(3) 0.0611(19) Uani 0.699(7) 1 d D U P C 1
F1_24 F 0.4039(6) -0.0431(3) 0.6295(3) 0.083(3) Uani 0.699(7) 1 d D U P C 1
F2_24 F 0.4812(4) -0.0015(3) 0.6082(2) 0.071(2) Uani 0.699(7) 1 d D U P C 1
F3_24 F 0.3676(5) 0.0172(4) 0.58986(19) 0.085(3) Uani 0.699(7) 1 d D U P C 1
C3_24 C 0.4135(5) 0.0884(4) 0.6377(3) 0.066(2) Uani 0.699(7) 1 d D U P C 1
F4_24 F 0.3766(5) 0.1277(3) 0.6555(3) 0.089(3) Uani 0.699(7) 1 d D U P C 1
F5_24 F 0.4040(5) 0.1016(3) 0.6025(2) 0.084(2) Uani 0.699(7) 1 d D U P C 1
F6_24 F 0.4870(4) 0.0804(3) 0.6437(3) 0.086(2) Uani 0.699(7) 1 d D U P C 1
C4_24 C 0.4198(5) 0.0174(4) 0.6839(2) 0.0586(19) Uani 0.699(7) 1 d D U P C 1
F7_24 F 0.4160(9) 0.0516(5) 0.7075(3) 0.092(3) Uani 0.699(7) 1 d D U P C 1
F8_24 F 0.4910(4) -0.0077(4) 0.6812(3) 0.075(3) Uani 0.699(7) 1 d D U P C 1
F9_24 F 0.3823(5) -0.0145(4) 0.6984(3) 0.085(3) Uani 0.699(7) 1 d D U P C 1
O1_25 O 0.3683(3) 0.56740(18) 1.01030(15) 0.0503(12) Uani 1 1 d D U . L 1
C1_25 C 0.3043(3) 0.6035(2) 1.00407(17) 0.0459(14) Uani 1 1 d D U . L 1
C2_25 C 0.2585(4) 0.6154(3) 1.03876(19) 0.0544(16) Uani 1 1 d D U . L 1
F1_25 F 0.2565(3) 0.5728(2) 1.05730(13) 0.0674(13) Uani 1 1 d D U . L 1
F2_25 F 0.1873(3) 0.6406(2) 1.03180(14) 0.0679(13) Uani 1 1 d D U . L 1
F3_25 F 0.2865(3) 0.6428(2) 1.06009(14) 0.0695(13) Uani 1 1 d D U . L 1
C3_25 C 0.3268(4) 0.6517(3) 0.9897(2) 0.0574(17) Uani 1 1 d D U . L 1
F4_25 F 0.3552(3) 0.6457(2) 0.95706(13) 0.0736(14) Uani 1 1 d D U . L 1
F5_25 F 0.3798(3) 0.66075(19) 1.01030(14) 0.0653(13) Uani 1 1 d D U . L 1
F6_25 F 0.2691(3) 0.69134(18) 0.98864(17) 0.0783(16) Uani 1 1 d D U . L 1
C4_25 C 0.2564(4) 0.5871(3) 0.97608(18) 0.0499(15) Uani 1 1 d D U . L 1
F7_25 F 0.2987(3) 0.5652(2) 0.94919(14) 0.0725(14) Uani 1 1 d D U . L 1
F8_25 F 0.2050(3) 0.6248(2) 0.96099(14) 0.0681(13) Uani 1 1 d D U . L 1
F9_25 F 0.2205(3) 0.55443(19) 0.99080(14) 0.0646(13) Uani 1 1 d D U . L 1
O1_26 O 0.2289(4) 0.1988(4) 1.0349(2) 0.054(2) Uani 0.629(7) 1 d D U P H 1
C1_26 C 0.2727(6) 0.2072(4) 1.0074(3) 0.0565(19) Uani 0.629(7) 1 d D U P H 1
C2_26 C 0.2851(8) 0.1673(5) 0.9791(3) 0.095(3) Uani 0.629(7) 1 d D U P H 1
F1_26 F 0.2900(11) 0.1220(5) 0.9948(4) 0.148(5) Uani 0.629(7) 1 d D U P H 1
F2_26 F 0.3470(9) 0.1670(8) 0.9604(4) 0.158(5) Uani 0.629(7) 1 d D U P H 1
F3_26 F 0.2305(9) 0.1755(7) 0.9555(4) 0.161(5) Uani 0.629(7) 1 d D U P H 1
C3_26 C 0.2415(7) 0.2593(5) 0.9892(4) 0.095(3) Uani 0.629(7) 1 d D U P H 1
F4_26 F 0.2416(11) 0.2957(5) 1.0111(4) 0.171(5) Uani 0.629(7) 1 d D U P H 1
F5_26 F 0.1732(6) 0.2634(5) 0.9771(4) 0.132(5) Uani 0.629(7) 1 d D U P H 1
F6_26 F 0.2823(7) 0.2677(6) 0.9614(4) 0.131(4) Uani 0.629(7) 1 d D U P H 1
C4_26 C 0.3493(6) 0.2053(5) 1.0241(3) 0.070(2) Uani 0.629(7) 1 d D U P H 1
F7_26 F 0.3433(8) 0.2319(6) 1.0528(4) 0.121(4) Uani 0.629(7) 1 d D U P H 1
F8_26 F 0.3965(6) 0.2200(6) 1.0019(3) 0.124(5) Uani 0.629(7) 1 d D U P H 1
F9_26 F 0.3809(5) 0.1601(4) 1.0375(3) 0.089(3) Uani 0.629(7) 1 d D U P H 1
P1_27 P 0.5983(6) 0.0516(4) 1.1054(2) 0.0227(12) Uani 0.535(7) 1 d D U P M 1
P2_27 P 0.5213(5) 0.1528(3) 1.1487(2) 0.0198(11) Uani 0.535(7) 1 d D U P M 1
C1_27 C 0.5910(6) 0.0431(6) 1.0575(2) 0.045(3) Uani 0.535(7) 1 d D U P M 1
H1_27 H 0.572135 0.012220 1.056585 0.054 Uiso 0.535(7) 1 calc R U P M 1
C2_27 C 0.5333(7) 0.0830(5) 1.0383(3) 0.056(3) Uani 0.535(7) 1 d D U P M 1
H2A_27 H 0.545038 0.115769 1.040623 0.067 Uiso 0.535(7) 1 calc R U P M 1
H2B_27 H 0.483840 0.084765 1.049624 0.067 Uiso 0.535(7) 1 calc R U P M 1
C3_27 C 0.5293(7) 0.0732(7) 0.9985(3) 0.059(3) Uani 0.535(7) 1 d D U P M 1
H3A_27 H 0.510351 0.043008 0.995927 0.071 Uiso 0.535(7) 1 calc R U P M 1
H3B_27 H 0.493909 0.102113 0.986272 0.071 Uiso 0.535(7) 1 calc R U P M 1
C4_27 C 0.6059(9) 0.0655(8) 0.9810(3) 0.074(4) Uani 0.535(7) 1 d D U P M 1
H4A_27 H 0.602561 0.056898 0.955887 0.089 Uiso 0.535(7) 1 calc R U P M 1
H4B_27 H 0.621485 0.097359 0.980853 0.089 Uiso 0.535(7) 1 calc R U P M 1
C5_27 C 0.6641(7) 0.0250(7) 0.9998(3) 0.062(3) Uani 0.535(7) 1 d D U P M 1
H5A_27 H 0.713767 0.025512 0.989523 0.075 Uiso 0.535(7) 1 calc R U P M 1
H5B_27 H 0.654731 -0.007870 0.994977 0.075 Uiso 0.535(7) 1 calc R U P M 1
C6_27 C 0.6664(7) 0.0294(6) 1.0396(3) 0.050(3) Uani 0.535(7) 1 d D U P M 1
H6A_27 H 0.695454 -0.003020 1.050497 0.060 Uiso 0.535(7) 1 calc R U P M 1
H6B_27 H 0.693363 0.055137 1.044535 0.060 Uiso 0.535(7) 1 calc R U P M 1
C7_27 C 0.6506(9) -0.0093(4) 1.1257(4) 0.028(3) Uani 0.535(7) 1 d D U P M 1
H7_27 H 0.701917 -0.017229 1.114932 0.034 Uiso 0.535(7) 1 calc R U P M 1
C8_27 C 0.6153(11) -0.0529(5) 1.1180(4) 0.042(3) Uani 0.535(7) 1 d D U P M 1
H8A_27 H 0.563835 -0.045950 1.128062 0.050 Uiso 0.535(7) 1 calc R U P M 1
H8B_27 H 0.612100 -0.055467 1.091879 0.050 Uiso 0.535(7) 1 calc R U P M 1
C9_27 C 0.6620(10) -0.1022(4) 1.1346(4) 0.045(4) Uani 0.535(7) 1 d D U P M 1
H9A_27 H 0.711631 -0.110848 1.122703 0.054 Uiso 0.535(7) 1 calc R U P M 1
H9B_27 H 0.637032 -0.129314 1.130639 0.054 Uiso 0.535(7) 1 calc R U P M 1
C10_27 C 0.6723(9) -0.0989(5) 1.1746(3) 0.039(3) Uani 0.535(7) 1 d D U P M 1
H10A_27 H 0.623097 -0.093421 1.186852 0.047 Uiso 0.535(7) 1 calc R U P M 1
H10B_27 H 0.704685 -0.130966 1.184371 0.047 Uiso 0.535(7) 1 calc R U P M 1
C11_27 C 0.7074(10) -0.0564(5) 1.1820(4) 0.043(4) Uani 0.535(7) 1 d D U P M 1
H11A_27 H 0.758308 -0.063124 1.171438 0.052 Uiso 0.535(7) 1 calc R U P M 1
H11B_27 H 0.711806 -0.054241 1.208165 0.052 Uiso 0.535(7) 1 calc R U P M 1
C12_27 C 0.6593(12) -0.0063(5) 1.1660(4) 0.037(4) Uani 0.535(7) 1 d D U P M 1
H12A_27 H 0.609313 0.001406 1.177600 0.045 Uiso 0.535(7) 1 calc R U P M 1
H12B_27 H 0.683242 0.021071 1.170562 0.045 Uiso 0.535(7) 1 calc R U P M 1
C13_27 C 0.5042(9) 0.0608(5) 1.1253(5) 0.030(2) Uani 0.535(7) 1 d D U P M 1
H13A_27 H 0.473899 0.044430 1.110620 0.036 Uiso 0.535(7) 1 calc R U P M 1
H13B_27 H 0.508346 0.044250 1.149532 0.036 Uiso 0.535(7) 1 calc R U P M 1
C14_27 C 0.4640(8) 0.1162(5) 1.1277(4) 0.027(2) Uani 0.535(7) 1 d D U P M 1
H14A_27 H 0.417298 0.118896 1.141809 0.033 Uiso 0.535(7) 1 calc R U P M 1
H14B_27 H 0.449991 0.130847 1.103378 0.033 Uiso 0.535(7) 1 calc R U P M 1
C15_27 C 0.4672(5) 0.2180(3) 1.1425(3) 0.0230(19) Uani 0.535(7) 1 d D U P M 1
H15_27 H 0.446981 0.221432 1.117648 0.028 Uiso 0.535(7) 1 calc R U P M 1
C16_27 C 0.5165(4) 0.2554(3) 1.1435(3) 0.0215(17) Uani 0.535(7) 1 d D U P M 1
H16A_27 H 0.534712 0.255898 1.168105 0.026 Uiso 0.535(7) 1 calc R U P M 1
H16B_27 H 0.560600 0.244546 1.127604 0.026 Uiso 0.535(7) 1 calc R U P M 1
C17_27 C 0.4718(7) 0.3078(4) 1.1312(5) 0.038(3) Uani 0.535(7) 1 d D U P M 1
H17A_27 H 0.503383 0.331757 1.132762 0.046 Uiso 0.535(7) 1 calc R U P M 1
H17B_27 H 0.457147 0.307737 1.105908 0.046 Uiso 0.535(7) 1 calc R U P M 1
C18_27 C 0.4018(5) 0.3247(3) 1.1542(3) 0.034(2) Uani 0.535(7) 1 d D U P M 1
H18A_27 H 0.372596 0.358213 1.145204 0.040 Uiso 0.535(7) 1 calc R U P M 1
H18B_27 H 0.416446 0.327521 1.179169 0.040 Uiso 0.535(7) 1 calc R U P M 1
C19_27 C 0.3534(5) 0.2873(4) 1.1534(3) 0.031(2) Uani 0.535(7) 1 d D U P M 1
H19A_27 H 0.336704 0.285619 1.128659 0.037 Uiso 0.535(7) 1 calc R U P M 1
H19B_27 H 0.308404 0.298612 1.168631 0.037 Uiso 0.535(7) 1 calc R U P M 1
C20_27 C 0.3985(8) 0.2349(4) 1.1672(6) 0.035(3) Uani 0.535(7) 1 d D U P M 1
H20A_27 H 0.366996 0.210703 1.167068 0.042 Uiso 0.535(7) 1 calc R U P M 1
H20B_27 H 0.415030 0.236305 1.192062 0.042 Uiso 0.535(7) 1 calc R U P M 1
C21_27 C 0.5332(11) 0.1296(7) 1.1955(3) 0.023(3) Uani 0.535(7) 1 d D U P M 1
H21_27 H 0.571466 0.096639 1.195328 0.027 Uiso 0.535(7) 1 calc R U P M 1
C22_27 C 0.5669(14) 0.1632(9) 1.2178(4) 0.027(3) Uani 0.535(7) 1 d D U P M 1
H22A_27 H 0.530448 0.196210 1.219736 0.033 Uiso 0.535(7) 1 calc R U P M 1
H22B_27 H 0.612413 0.168888 1.205718 0.033 Uiso 0.535(7) 1 calc R U P M 1
C23_27 C 0.5869(13) 0.1392(10) 1.2553(4) 0.033(4) Uani 0.535(7) 1 d D U P M 1
H23A_27 H 0.627224 0.107975 1.253551 0.040 Uiso 0.535(7) 1 calc R U P M 1
H23B_27 H 0.605651 0.162492 1.269752 0.040 Uiso 0.535(7) 1 calc R U P M 1
C24_27 C 0.5186(14) 0.1272(9) 1.2736(4) 0.035(4) Uani 0.535(7) 1 d D U P M 1
H24A_27 H 0.533419 0.109798 1.297172 0.042 Uiso 0.535(7) 1 calc R U P M 1
H24B_27 H 0.480689 0.158914 1.277824 0.042 Uiso 0.535(7) 1 calc R U P M 1
C25_27 C 0.4846(11) 0.0945(7) 1.2514(4) 0.027(3) Uani 0.535(7) 1 d D U P M 1
H25A_27 H 0.439181 0.088849 1.263654 0.033 Uiso 0.535(7) 1 calc R U P M 1
H25B_27 H 0.520753 0.061450 1.249288 0.033 Uiso 0.535(7) 1 calc R U P M 1
C26_27 C 0.4639(10) 0.1185(8) 1.2141(4) 0.026(3) Uani 0.535(7) 1 d D U P M 1
H26A_27 H 0.424292 0.150030 1.215967 0.031 Uiso 0.535(7) 1 calc R U P M 1
H26B_27 H 0.444273 0.095444 1.199824 0.031 Uiso 0.535(7) 1 calc R U P M 1
P1_29 P 0.71441(10) 0.08369(7) 0.56100(5) 0.0243(4) Uani 0.909(4) 1 d D U P N 1
P2_29 P 0.67155(10) 0.16276(7) 0.62595(4) 0.0265(4) Uani 0.909(4) 1 d D U P N 1
C1_29 C 0.6486(3) 0.0611(3) 0.53410(15) 0.0348(14) Uani 0.909(4) 1 d D U P N 1
H1_29 H 0.663570 0.023542 0.536114 0.042 Uiso 0.909(4) 1 calc R U P N 1
C2_29 C 0.5687(4) 0.0779(4) 0.5483(2) 0.056(2) Uani 0.909(4) 1 d D U P N 1
H2A_29 H 0.554298 0.114906 0.549228 0.067 Uiso 0.909(4) 1 calc R U P N 1
H2B_29 H 0.566218 0.063404 0.572905 0.067 Uiso 0.909(4) 1 calc R U P N 1
C3_29 C 0.5133(4) 0.0612(4) 0.5244(2) 0.069(3) Uani 0.909(4) 1 d D U P N 1
H3A_29 H 0.523414 0.024142 0.526126 0.083 Uiso 0.909(4) 1 calc R U P N 1
H3B_29 H 0.461620 0.075213 0.533039 0.083 Uiso 0.909(4) 1 calc R U P N 1
C4_29 C 0.5202(5) 0.0787(4) 0.4859(2) 0.075(3) Uani 0.909(4) 1 d D U P N 1
H4A_29 H 0.485925 0.065858 0.471088 0.091 Uiso 0.909(4) 1 calc R U P N 1
H4B_29 H 0.504701 0.115819 0.483893 0.091 Uiso 0.909(4) 1 calc R U P N 1
C5_29 C 0.5987(5) 0.0609(4) 0.47195(19) 0.066(2) Uani 0.909(4) 1 d D U P N 1
H5A_29 H 0.601297 0.074766 0.447130 0.079 Uiso 0.909(4) 1 calc R U P N 1
H5B_29 H 0.612041 0.023881 0.471378 0.079 Uiso 0.909(4) 1 calc R U P N 1
C6_29 C 0.6556(4) 0.0769(3) 0.49489(17) 0.0498(19) Uani 0.909(4) 1 d D U P N 1
H6A_29 H 0.706801 0.061558 0.486234 0.060 Uiso 0.909(4) 1 calc R U P N 1
H6B_29 H 0.647311 0.113876 0.492443 0.060 Uiso 0.909(4) 1 calc R U P N 1
C7_29 C 0.8099(3) 0.0500(2) 0.54809(18) 0.0292(13) Uani 0.909(4) 1 d D U P N 1
H7_29 H 0.817487 0.061152 0.522742 0.035 Uiso 0.909(4) 1 calc R U P N 1
C8_29 C 0.8207(4) -0.0069(2) 0.5486(2) 0.0403(16) Uani 0.909(4) 1 d D U P N 1
H8A_29 H 0.782499 -0.014893 0.533340 0.048 Uiso 0.909(4) 1 calc R U P N 1
H8B_29 H 0.814008 -0.019766 0.573316 0.048 Uiso 0.909(4) 1 calc R U P N 1
C9_29 C 0.8995(4) -0.0326(3) 0.5348(3) 0.049(2) Uani 0.909(4) 1 d D U P N 1
H9A_29 H 0.906756 -0.069442 0.536583 0.059 Uiso 0.909(4) 1 calc R U P N 1
H9B_29 H 0.904303 -0.022243 0.509309 0.059 Uiso 0.909(4) 1 calc R U P N 1
C10_29 C 0.9590(4) -0.0185(3) 0.5563(3) 0.049(2) Uani 0.909(4) 1 d D U P N 1
H10A_29 H 1.008917 -0.034094 0.546208 0.059 Uiso 0.909(4) 1 calc R U P N 1
H10B_29 H 0.957360 -0.031951 0.581278 0.059 Uiso 0.909(4) 1 calc R U P N 1
C11_29 C 0.9483(3) 0.0379(3) 0.5562(3) 0.0404(18) Uani 0.909(4) 1 d D U P N 1
H11A_29 H 0.954788 0.051023 0.531502 0.048 Uiso 0.909(4) 1 calc R U P N 1
H11B_29 H 0.986755 0.045614 0.571398 0.048 Uiso 0.909(4) 1 calc R U P N 1
C12_29 C 0.8700(3) 0.0636(2) 0.5702(2) 0.0311(14) Uani 0.909(4) 1 d D U P N 1
H12A_29 H 0.865111 0.052903 0.595574 0.037 Uiso 0.909(4) 1 calc R U P N 1
H12B_29 H 0.863108 0.100498 0.568714 0.037 Uiso 0.909(4) 1 calc R U P N 1
C13_29 C 0.7005(4) 0.0628(2) 0.60754(15) 0.0306(12) Uani 0.909(4) 1 d D U P N 1
H13A_29 H 0.681542 0.032208 0.607555 0.037 Uiso 0.909(4) 1 calc R U P N 1
H13B_29 H 0.749386 0.053709 0.619857 0.037 Uiso 0.909(4) 1 calc R U P N 1
C14_29 C 0.6455(3) 0.1028(2) 0.62846(16) 0.0326(13) Uani 0.909(4) 1 d D U P N 1
H14A_29 H 0.644393 0.090799 0.653820 0.039 Uiso 0.909(4) 1 calc R U P N 1
H14B_29 H 0.594545 0.107811 0.618664 0.039 Uiso 0.909(4) 1 calc R U P N 1
C15_29 C 0.6038(3) 0.2084(2) 0.65228(17) 0.0380(13) Uani 0.909(4) 1 d D U P N 1
H15_29 H 0.627371 0.209452 0.675960 0.046 Uiso 0.909(4) 1 calc R U P N 1
C16_29 C 0.5902(4) 0.2610(2) 0.63444(18) 0.0441(15) Uani 0.909(4) 1 d D U P N 1
H16A_29 H 0.638260 0.270650 0.632055 0.053 Uiso 0.909(4) 1 calc R U P N 1
H16B_29 H 0.570052 0.260922 0.610134 0.053 Uiso 0.909(4) 1 calc R U P N 1
C17_29 C 0.5353(4) 0.2994(3) 0.6561(2) 0.0591(19) Uani 0.909(4) 1 d D U P N 1
H17A_29 H 0.558471 0.303107 0.679035 0.071 Uiso 0.909(4) 1 calc R U P N 1
H17B_29 H 0.523932 0.332415 0.642718 0.071 Uiso 0.909(4) 1 calc R U P N 1
C18_29 C 0.4633(4) 0.2838(3) 0.6634(2) 0.067(2) Uani 0.909(4) 1 d D U P N 1
H18A_29 H 0.437081 0.284246 0.640511 0.081 Uiso 0.909(4) 1 calc R U P N 1
H18B_29 H 0.430393 0.308361 0.678782 0.081 Uiso 0.909(4) 1 calc R U P N 1
C19_29 C 0.4771(4) 0.2316(3) 0.6816(2) 0.065(2) Uani 0.909(4) 1 d D U P N 1
H19A_29 H 0.498275 0.231938 0.705705 0.078 Uiso 0.909(4) 1 calc R U P N 1
H19B_29 H 0.429025 0.222107 0.684636 0.078 Uiso 0.909(4) 1 calc R U P N 1
C20_29 C 0.5310(4) 0.1930(3) 0.6598(2) 0.0465(16) Uani 0.909(4) 1 d D U P N 1
H20A_29 H 0.507269 0.189751 0.636817 0.056 Uiso 0.909(4) 1 calc R U P N 1
H20B_29 H 0.542008 0.159936 0.672954 0.056 Uiso 0.909(4) 1 calc R U P N 1
C21_29 C 0.7638(3) 0.1506(2) 0.64713(15) 0.0295(11) Uani 0.909(4) 1 d D U P N 1
H21_29 H 0.799679 0.127553 0.631441 0.035 Uiso 0.909(4) 1 calc R U P N 1
C22_29 C 0.7911(3) 0.1985(2) 0.64807(17) 0.0355(13) Uani 0.909(4) 1 d D U P N 1
H22A_29 H 0.757812 0.222434 0.663784 0.043 Uiso 0.909(4) 1 calc R U P N 1
H22B_29 H 0.789241 0.214592 0.623705 0.043 Uiso 0.909(4) 1 calc R U P N 1
C23_29 C 0.8716(4) 0.1860(3) 0.66212(18) 0.0402(14) Uani 0.909(4) 1 d D U P N 1
H23A_29 H 0.905556 0.164330 0.645315 0.048 Uiso 0.909(4) 1 calc R U P N 1
H23B_29 H 0.888115 0.217339 0.663661 0.048 Uiso 0.909(4) 1 calc R U P N 1
C24_29 C 0.8760(4) 0.1591(3) 0.69898(18) 0.0472(16) Uani 0.909(4) 1 d D U P N 1
H24A_29 H 0.928613 0.149916 0.707160 0.057 Uiso 0.909(4) 1 calc R U P N 1
H24B_29 H 0.845862 0.182124 0.716213 0.057 Uiso 0.909(4) 1 calc R U P N 1
C25_29 C 0.8476(4) 0.1120(3) 0.69849(19) 0.0444(15) Uani 0.909(4) 1 d D U P N 1
H25A_29 H 0.848755 0.096693 0.723054 0.053 Uiso 0.909(4) 1 calc R U P N 1
H25B_29 H 0.881049 0.087479 0.683283 0.053 Uiso 0.909(4) 1 calc R U P N 1
C26_29 C 0.7679(3) 0.1236(3) 0.68419(16) 0.0388(14) Uani 0.909(4) 1 d D U P N 1
H26A_29 H 0.733238 0.145120 0.700838 0.047 Uiso 0.909(4) 1 calc R U P N 1
H26B_29 H 0.752241 0.092017 0.682566 0.047 Uiso 0.909(4) 1 calc R U P N 1
P1_30 P 0.67754(9) 0.24577(6) 0.46239(4) 0.0252(4) Uani 0.888(4) 1 d D U P O 1
P2_30 P 0.61424(14) 0.32809(9) 0.52559(6) 0.0265(5) Uani 0.888(4) 1 d D U P O 1
C1_30 C 0.7783(3) 0.2158(2) 0.46170(16) 0.0287(12) Uani 0.888(4) 1 d D U P O 1
H1_30 H 0.797053 0.221797 0.437022 0.034 Uiso 0.888(4) 1 calc R U P O 1
C2_30 C 0.8227(3) 0.2378(2) 0.48740(18) 0.0319(13) Uani 0.888(4) 1 d D U P O 1
H2A_30 H 0.803550 0.234238 0.512029 0.038 Uiso 0.888(4) 1 calc R U P O 1
H2B_30 H 0.815293 0.274127 0.481210 0.038 Uiso 0.888(4) 1 calc R U P O 1
C3_30 C 0.9061(3) 0.2122(2) 0.4862(2) 0.0391(14) Uani 0.888(4) 1 d D U P O 1
H3A_30 H 0.932178 0.225612 0.504753 0.047 Uiso 0.888(4) 1 calc R U P O 1
H3B_30 H 0.926906 0.219676 0.462609 0.047 Uiso 0.888(4) 1 calc R U P O 1
C4_30 C 0.9199(3) 0.1552(2) 0.49269(19) 0.0382(14) Uani 0.888(4) 1 d D U P O 1
H4A_30 H 0.973955 0.139238 0.489603 0.046 Uiso 0.888(4) 1 calc R U P O 1
H4B_30 H 0.905774 0.147540 0.517613 0.046 Uiso 0.888(4) 1 calc R U P O 1
C5_30 C 0.8759(3) 0.1334(2) 0.46742(18) 0.0358(13) Uani 0.888(4) 1 d D U P O 1
H5A_30 H 0.883195 0.097133 0.473717 0.043 Uiso 0.888(4) 1 calc R U P O 1
H5B_30 H 0.895104 0.136793 0.442778 0.043 Uiso 0.888(4) 1 calc R U P O 1
C6_30 C 0.7926(3) 0.1591(2) 0.46847(18) 0.0312(12) Uani 0.888(4) 1 d D U P O 1
H6A_30 H 0.771778 0.151822 0.492148 0.037 Uiso 0.888(4) 1 calc R U P O 1
H6B_30 H 0.766574 0.145356 0.450082 0.037 Uiso 0.888(4) 1 calc R U P O 1
C7_30 C 0.6357(4) 0.2279(2) 0.42224(14) 0.0309(13) Uani 0.888(4) 1 d D U P O 1
H7_30 H 0.589210 0.255284 0.417785 0.037 Uiso 0.888(4) 1 calc R U P O 1
C8_30 C 0.6826(4) 0.2282(3) 0.38807(16) 0.0435(17) Uani 0.888(4) 1 d D U P O 1
H8A_30 H 0.697733 0.260178 0.385189 0.052 Uiso 0.888(4) 1 calc R U P O 1
H8B_30 H 0.728435 0.200343 0.389756 0.052 Uiso 0.888(4) 1 calc R U P O 1
C9_30 C 0.6367(6) 0.2223(4) 0.35576(17) 0.057(2) Uani 0.888(4) 1 d D U P O 1
H9A_30 H 0.593747 0.252010 0.352732 0.069 Uiso 0.888(4) 1 calc R U P O 1
H9B_30 H 0.668231 0.220477 0.333922 0.069 Uiso 0.888(4) 1 calc R U P O 1
C10_30 C 0.6083(5) 0.1756(4) 0.36023(18) 0.060(2) Uani 0.888(4) 1 d D U P O 1
H10A_30 H 0.651417 0.145724 0.360156 0.072 Uiso 0.888(4) 1 calc R U P O 1
H10B_30 H 0.576300 0.174154 0.339601 0.072 Uiso 0.888(4) 1 calc R U P O 1
C11_30 C 0.5640(4) 0.1736(3) 0.39434(17) 0.0463(18) Uani 0.888(4) 1 d D U P O 1
H11A_30 H 0.550602 0.141015 0.396963 0.056 Uiso 0.888(4) 1 calc R U P O 1
H11B_30 H 0.516972 0.200582 0.393040 0.056 Uiso 0.888(4) 1 calc R U P O 1
C12_30 C 0.6089(4) 0.1801(2) 0.42708(15) 0.0340(14) Uani 0.888(4) 1 d D U P O 1
H12A_30 H 0.577120 0.181620 0.448808 0.041 Uiso 0.888(4) 1 calc R U P O 1
H12B_30 H 0.652564 0.150795 0.430283 0.041 Uiso 0.888(4) 1 calc R U P O 1
C13_30 C 0.6647(4) 0.3139(2) 0.45433(17) 0.0330(13) Uani 0.888(4) 1 d D U P O 1
H13A_30 H 0.702858 0.319403 0.436710 0.040 Uiso 0.888(4) 1 calc R U P O 1
H13B_30 H 0.614975 0.327972 0.443372 0.040 Uiso 0.888(4) 1 calc R U P O 1
C14_30 C 0.6700(4) 0.3429(2) 0.48702(16) 0.0333(13) Uani 0.888(4) 1 d D U P O 1
H14A_30 H 0.653059 0.379265 0.480532 0.040 Uiso 0.888(4) 1 calc R U P O 1
H14B_30 H 0.723128 0.335698 0.494207 0.040 Uiso 0.888(4) 1 calc R U P O 1
C15_30 C 0.6569(4) 0.3482(2) 0.56447(18) 0.0336(15) Uani 0.888(4) 1 d D U P O 1
H15_30 H 0.624699 0.345142 0.585860 0.040 Uiso 0.888(4) 1 calc R U P O 1
C16_30 C 0.7347(4) 0.3133(2) 0.57153(19) 0.0394(16) Uani 0.888(4) 1 d D U P O 1
H16A_30 H 0.767000 0.314375 0.550237 0.047 Uiso 0.888(4) 1 calc R U P O 1
H16B_30 H 0.730311 0.278369 0.575731 0.047 Uiso 0.888(4) 1 calc R U P O 1
C17_30 C 0.7706(4) 0.3290(3) 0.6041(2) 0.0437(17) Uani 0.888(4) 1 d D U P O 1
H17A_30 H 0.740287 0.325572 0.625790 0.052 Uiso 0.888(4) 1 calc R U P O 1
H17B_30 H 0.821372 0.306642 0.607787 0.052 Uiso 0.888(4) 1 calc R U P O 1
C18_30 C 0.7758(4) 0.3833(3) 0.5985(2) 0.0449(18) Uani 0.888(4) 1 d D U P O 1
H18A_30 H 0.798376 0.393201 0.619891 0.054 Uiso 0.888(4) 1 calc R U P O 1
H18B_30 H 0.808574 0.386226 0.577710 0.054 Uiso 0.888(4) 1 calc R U P O 1
C19_30 C 0.6989(6) 0.4183(3) 0.5922(3) 0.049(2) Uani 0.888(4) 1 d D U P O 1
H19A_30 H 0.703740 0.453147 0.588011 0.058 Uiso 0.888(4) 1 calc R U P O 1
H19B_30 H 0.667358 0.417321 0.613815 0.058 Uiso 0.888(4) 1 calc R U P O 1
C20_30 C 0.6612(5) 0.4033(2) 0.5600(2) 0.0400(19) Uani 0.888(4) 1 d D U P O 1
H20A_30 H 0.689879 0.407815 0.537962 0.048 Uiso 0.888(4) 1 calc R U P O 1
H20B_30 H 0.610020 0.425372 0.557299 0.048 Uiso 0.888(4) 1 calc R U P O 1
C21_30 C 0.5170(3) 0.3642(2) 0.52009(17) 0.0374(15) Uani 0.888(4) 1 d D U P O 1
H21_30 H 0.495366 0.346042 0.502299 0.045 Uiso 0.888(4) 1 calc R U P O 1
C22_30 C 0.4726(4) 0.3607(3) 0.5544(2) 0.057(2) Uani 0.888(4) 1 d D U P O 1
H22A_30 H 0.488328 0.380367 0.572799 0.068 Uiso 0.888(4) 1 calc R U P O 1
H22B_30 H 0.482851 0.325291 0.563502 0.068 Uiso 0.888(4) 1 calc R U P O 1
C23_30 C 0.3883(4) 0.3811(4) 0.5473(3) 0.077(3) Uani 0.888(4) 1 d D U P O 1
H23A_30 H 0.371530 0.359303 0.530802 0.092 Uiso 0.888(4) 1 calc R U P O 1
H23B_30 H 0.360134 0.380749 0.570055 0.092 Uiso 0.888(4) 1 calc R U P O 1
C24_30 C 0.3722(5) 0.4345(4) 0.5310(3) 0.076(3) Uani 0.888(4) 1 d D U P O 1
H24A_30 H 0.318274 0.446147 0.525203 0.092 Uiso 0.888(4) 1 calc R U P O 1
H24B_30 H 0.383470 0.456845 0.548746 0.092 Uiso 0.888(4) 1 calc R U P O 1
C25_30 C 0.4174(4) 0.4384(3) 0.4976(2) 0.066(2) Uani 0.888(4) 1 d D U P O 1
H25A_30 H 0.406848 0.473915 0.488643 0.079 Uiso 0.888(4) 1 calc R U P O 1
H25B_30 H 0.402400 0.418882 0.478838 0.079 Uiso 0.888(4) 1 calc R U P O 1
C26_30 C 0.5024(4) 0.4184(3) 0.5046(2) 0.052(2) Uani 0.888(4) 1 d D U P O 1
H26A_30 H 0.530812 0.419427 0.481996 0.063 Uiso 0.888(4) 1 calc R U P O 1
H26B_30 H 0.518884 0.439543 0.521700 0.063 Uiso 0.888(4) 1 calc R U P O 1
P1_31 P 0.02826(9) 0.47574(5) 0.22814(4) 0.0314(3) Uani 1 1 d D U . P 1
P2_31 P -0.03570(8) 0.57125(5) 0.28131(4) 0.0288(3) Uani 1 1 d D U . P 1
C1_31 C -0.0071(4) 0.4193(2) 0.23362(17) 0.0421(14) Uani 1 1 d D U . P 1
H1_31 H 0.037046 0.389618 0.235988 0.051 Uiso 1 1 calc R U . P 1
C2_31 C -0.0548(5) 0.4194(3) 0.26715(18) 0.0532(18) Uani 1 1 d D U . P 1
H2A_31 H -0.096238 0.450243 0.266575 0.064 Uiso 1 1 calc R U . P 1
H2B_31 H -0.023920 0.419640 0.288417 0.064 Uiso 1 1 calc R U . P 1
C3_31 C -0.0875(5) 0.3731(3) 0.2704(2) 0.066(2) Uani 1 1 d D U . P 1
H3A_31 H -0.046362 0.342378 0.274116 0.080 Uiso 1 1 calc R U . P 1
H3B_31 H -0.121404 0.375697 0.291396 0.080 Uiso 1 1 calc R U . P 1
C4_31 C -0.1303(5) 0.3689(3) 0.2370(2) 0.062(2) Uani 1 1 d D U . P 1
H4A_31 H -0.149111 0.338302 0.239438 0.075 Uiso 1 1 calc R U . P 1
H4B_31 H -0.174052 0.398285 0.234419 0.075 Uiso 1 1 calc R U . P 1
C5_31 C -0.0814(5) 0.3668(3) 0.2043(2) 0.0576(19) Uani 1 1 d D U . P 1
H5A_31 H -0.110939 0.365068 0.182791 0.069 Uiso 1 1 calc R U . P 1
H5B_31 H -0.039637 0.336122 0.206048 0.069 Uiso 1 1 calc R U . P 1
C6_31 C -0.0496(4) 0.4137(3) 0.20043(17) 0.0463(15) Uani 1 1 d D U . P 1
H6A_31 H -0.015653 0.410814 0.179414 0.056 Uiso 1 1 calc R U . P 1
H6B_31 H -0.091234 0.443990 0.196303 0.056 Uiso 1 1 calc R U . P 1
C7_31 C 0.1076(3) 0.4660(2) 0.19669(15) 0.0341(12) Uani 1 1 d D U . P 1
H7_31 H 0.132619 0.493413 0.201055 0.041 Uiso 1 1 calc R U . P 1
C8_31 C 0.1679(4) 0.4172(2) 0.20416(16) 0.0429(15) Uani 1 1 d D U . P 1
H8A_31 H 0.181798 0.414033 0.229745 0.051 Uiso 1 1 calc R U . P 1
H8B_31 H 0.148253 0.388152 0.198809 0.051 Uiso 1 1 calc R U . P 1
C9_31 C 0.2369(3) 0.4173(3) 0.18095(17) 0.0459(15) Uani 1 1 d D U . P 1
H9A_31 H 0.259260 0.444396 0.188083 0.055 Uiso 1 1 calc R U . P 1
H9B_31 H 0.274617 0.384926 0.184934 0.055 Uiso 1 1 calc R U . P 1
C10_31 C 0.2170(4) 0.4252(2) 0.14137(17) 0.0452(15) Uani 1 1 d D U . P 1
H10A_31 H 0.262230 0.427019 0.127267 0.054 Uiso 1 1 calc R U . P 1
H10B_31 H 0.200027 0.396116 0.133651 0.054 Uiso 1 1 calc R U . P 1
C11_31 C 0.1562(4) 0.4726(3) 0.13377(19) 0.0526(18) Uani 1 1 d D U . P 1
H11A_31 H 0.141976 0.474868 0.108262 0.063 Uiso 1 1 calc R U . P 1
H11B_31 H 0.175370 0.502185 0.138355 0.063 Uiso 1 1 calc R U . P 1
C12_31 C 0.0866(3) 0.4732(3) 0.15753(16) 0.0471(16) Uani 1 1 d D U . P 1
H12A_31 H 0.049061 0.505671 0.153428 0.056 Uiso 1 1 calc R U . P 1
H12B_31 H 0.063881 0.446104 0.150904 0.056 Uiso 1 1 calc R U . P 1
C13_31 C 0.0735(3) 0.4820(2) 0.27091(16) 0.0379(13) Uani 1 1 d D U . P 1
H13A_31 H 0.097550 0.448005 0.281115 0.046 Uiso 1 1 calc R U . P 1
H13B_31 H 0.113403 0.499596 0.265815 0.046 Uiso 1 1 calc R U . P 1
C14_31 C 0.0205(4) 0.5101(2) 0.29868(17) 0.0405(14) Uani 1 1 d D U . P 1
H14A_31 H 0.050021 0.515327 0.319302 0.049 Uiso 1 1 calc R U . P 1
H14B_31 H -0.013407 0.489370 0.307396 0.049 Uiso 1 1 calc R U . P 1
C15_31 C -0.1131(3) 0.5881(2) 0.31401(15) 0.0379(13) Uani 1 1 d D U . P 1
H15_31 H -0.090241 0.587784 0.338048 0.046 Uiso 1 1 calc R U . P 1
C16_31 C -0.1613(4) 0.5502(2) 0.31642(19) 0.0460(15) Uani 1 1 d D U . P 1
H16A_31 H -0.183419 0.548759 0.292760 0.055 Uiso 1 1 calc R U . P 1
H16B_31 H -0.129463 0.516422 0.323125 0.055 Uiso 1 1 calc R U . P 1
C17_31 C -0.2237(4) 0.5651(3) 0.3442(2) 0.059(2) Uani 1 1 d D U . P 1
H17A_31 H -0.255509 0.540988 0.344518 0.071 Uiso 1 1 calc R U . P 1
H17B_31 H -0.201450 0.563351 0.368203 0.071 Uiso 1 1 calc R U . P 1
C18_31 C -0.2716(4) 0.6175(3) 0.3360(2) 0.0566(18) Uani 1 1 d D U . P 1
H18A_31 H -0.309617 0.626670 0.355111 0.068 Uiso 1 1 calc R U . P 1
H18B_31 H -0.298136 0.618289 0.313160 0.068 Uiso 1 1 calc R U . P 1
C19_31 C -0.2247(4) 0.6556(3) 0.3331(2) 0.061(2) Uani 1 1 d D U . P 1
H19A_31 H -0.203372 0.658019 0.356840 0.073 Uiso 1 1 calc R U . P 1
H19B_31 H -0.257077 0.689033 0.325937 0.073 Uiso 1 1 calc R U . P 1
C20_31 C -0.1610(3) 0.6410(2) 0.30578(19) 0.0421(14) Uani 1 1 d D U . P 1
H20A_31 H -0.182354 0.643018 0.281536 0.050 Uiso 1 1 calc R U . P 1
H20B_31 H -0.129235 0.665058 0.306009 0.050 Uiso 1 1 calc R U . P 1
C21_31 C 0.0274(3) 0.6131(2) 0.28361(15) 0.0335(12) Uani 1 1 d D U . P 1
H21_31 H 0.076729 0.593908 0.274063 0.040 Uiso 1 1 calc R U . P 1
C22_31 C 0.0043(3) 0.6613(2) 0.25944(15) 0.0335(12) Uani 1 1 d D U . P 1
H22A_31 H -0.005822 0.652725 0.234992 0.040 Uiso 1 1 calc R U . P 1
H22B_31 H -0.042006 0.683556 0.268901 0.040 Uiso 1 1 calc R U . P 1
C23_31 C 0.0675(4) 0.6883(3) 0.25827(18) 0.0471(16) Uani 1 1 d D U . P 1
H23A_31 H 0.112832 0.666579 0.247493 0.057 Uiso 1 1 calc R U . P 1
H23B_31 H 0.052357 0.719596 0.243068 0.057 Uiso 1 1 calc R U . P 1
C24_31 C 0.0853(4) 0.7007(2) 0.29543(19) 0.0505(17) Uani 1 1 d D U . P 1
H24A_31 H 0.128332 0.716047 0.294102 0.061 Uiso 1 1 calc R U . P 1
H24B_31 H 0.041765 0.725547 0.304973 0.061 Uiso 1 1 calc R U . P 1
C25_31 C 0.1037(4) 0.6547(3) 0.3207(2) 0.0538(18) Uani 1 1 d D U . P 1
H25A_31 H 0.110349 0.665018 0.345071 0.065 Uiso 1 1 calc R U . P 1
H25B_31 H 0.151708 0.632121 0.313165 0.065 Uiso 1 1 calc R U . P 1
C26_31 C 0.0427(4) 0.6259(2) 0.32158(16) 0.0432(15) Uani 1 1 d D U . P 1
H26A_31 H 0.059065 0.594575 0.336735 0.052 Uiso 1 1 calc R U . P 1
H26B_31 H -0.003733 0.646576 0.332085 0.052 Uiso 1 1 calc R U . P 1
P1_32 P -0.15235(16) 0.69603(11) 0.16530(8) 0.0246(4) Uani 0.902(5) 1 d D U P Q
1
P2_32 P -0.11851(14) 0.59821(9) 0.11244(8) 0.0328(5) Uani 0.902(5) 1 d D U P Q
1
C1_32 C -0.1046(4) 0.7470(2) 0.15808(17) 0.0337(14) Uani 0.902(5) 1 d D U P Q 1
H1_32 H -0.056898 0.731841 0.145243 0.040 Uiso 0.902(5) 1 calc R U P Q 1
C2_32 C -0.1455(5) 0.7921(3) 0.1340(2) 0.063(2) Uani 0.902(5) 1 d D U P Q 1
H2A_32 H -0.192719 0.809665 0.145652 0.076 Uiso 0.902(5) 1 calc R U P Q 1
H2B_32 H -0.157929 0.780357 0.110904 0.076 Uiso 0.902(5) 1 calc R U P Q 1
C3_32 C -0.0949(6) 0.8284(3) 0.1274(3) 0.075(3) Uani 0.902(5) 1 d D U P Q 1
H3A_32 H -0.049903 0.811571 0.113743 0.090 Uiso 0.902(5) 1 calc R U P Q 1
H3B_32 H -0.122229 0.858158 0.112772 0.090 Uiso 0.902(5) 1 calc R U P Q 1
C4_32 C -0.0715(5) 0.8449(3) 0.1616(3) 0.069(2) Uani 0.902(5) 1 d D U P Q 1
H4A_32 H -0.116228 0.864921 0.173942 0.083 Uiso 0.902(5) 1 calc R U P Q 1
H4B_32 H -0.037288 0.866874 0.156297 0.083 Uiso 0.902(5) 1 calc R U P Q 1
C5_32 C -0.0328(5) 0.8013(3) 0.1862(2) 0.057(2) Uani 0.902(5) 1 d D U P Q 1
H5A_32 H -0.021744 0.814146 0.209158 0.069 Uiso 0.902(5) 1 calc R U P Q 1
H5B_32 H 0.015387 0.783911 0.175258 0.069 Uiso 0.902(5) 1 calc R U P Q 1
C6_32 C -0.0811(5) 0.7637(2) 0.19344(18) 0.0450(17) Uani 0.902(5) 1 d D U P Q 1
H6A_32 H -0.052344 0.734163 0.207729 0.054 Uiso 0.902(5) 1 calc R U P Q 1
H6B_32 H -0.126240 0.779682 0.207355 0.054 Uiso 0.902(5) 1 calc R U P Q 1
C7_32 C -0.2215(3) 0.7102(2) 0.20216(17) 0.0266(12) Uani 0.902(5) 1 d D U P Q 1
H7_32 H -0.192933 0.712087 0.224245 0.032 Uiso 0.902(5) 1 calc R U P Q 1
C8_32 C -0.2782(4) 0.7608(3) 0.1965(2) 0.0384(18) Uani 0.902(5) 1 d D U P Q 1
H8A_32 H -0.303731 0.761629 0.173330 0.046 Uiso 0.902(5) 1 calc R U P Q 1
H8B_32 H -0.251539 0.787784 0.195182 0.046 Uiso 0.902(5) 1 calc R U P Q 1
C9_32 C -0.3367(4) 0.7707(3) 0.2264(2) 0.0393(17) Uani 0.902(5) 1 d D U P Q 1
H9A_32 H -0.312159 0.774296 0.248973 0.047 Uiso 0.902(5) 1 calc R U P Q 1
H9B_32 H -0.374310 0.802619 0.220582 0.047 Uiso 0.902(5) 1 calc R U P Q 1
C10_32 C -0.3757(4) 0.7288(3) 0.2314(3) 0.0381(14) Uani 0.902(5) 1 d D U P Q 1
H10A_32 H -0.403762 0.726817 0.209484 0.046 Uiso 0.902(5) 1 calc R U P Q 1
H10B_32 H -0.411940 0.735863 0.251484 0.046 Uiso 0.902(5) 1 calc R U P Q 1
C11_32 C -0.3190(4) 0.6791(3) 0.2392(3) 0.058(2) Uani 0.902(5) 1 d D U P Q 1
H11A_32 H -0.345137 0.651876 0.241834 0.069 Uiso 0.902(5) 1 calc R U P Q 1
H11B_32 H -0.293586 0.680388 0.262072 0.069 Uiso 0.902(5) 1 calc R U P Q 1
C12_32 C -0.2607(4) 0.6677(3) 0.2093(3) 0.053(2) Uani 0.902(5) 1 d D U P Q 1
H12A_32 H -0.285476 0.662416 0.187124 0.064 Uiso 0.902(5) 1 calc R U P Q 1
H12B_32 H -0.222839 0.636211 0.215867 0.064 Uiso 0.902(5) 1 calc R U P Q 1
C13_32 C -0.2087(5) 0.6946(3) 0.1261(2) 0.058(2) Uani 0.902(5) 1 d D U P Q 1
H13A_32 H -0.257975 0.690841 0.134846 0.070 Uiso 0.902(5) 1 calc R U P Q 1
H13B_32 H -0.217544 0.728070 0.113463 0.070 Uiso 0.902(5) 1 calc R U P Q 1
C14_32 C -0.1835(6) 0.6583(3) 0.1000(2) 0.062(2) Uani 0.902(5) 1 d D U P Q 1
H14A_32 H -0.159719 0.674449 0.080423 0.074 Uiso 0.902(5) 1 calc R U P Q 1
H14B_32 H -0.228457 0.650933 0.089899 0.074 Uiso 0.902(5) 1 calc R U P Q 1
C15_32 C -0.0575(4) 0.5922(3) 0.07255(16) 0.0456(17) Uani 0.902(5) 1 d D U P Q
1
H15_32 H -0.049383 0.626467 0.067516 0.055 Uiso 0.902(5) 1 calc R U P Q 1
C16_32 C 0.0208(4) 0.5579(3) 0.07794(17) 0.0424(17) Uani 0.902(5) 1 d D U P Q 1
H16A_32 H 0.017943 0.522433 0.080053 0.051 Uiso 0.902(5) 1 calc R U P Q 1
H16B_32 H 0.042300 0.565613 0.100309 0.051 Uiso 0.902(5) 1 calc R U P Q 1
C17_32 C 0.0711(5) 0.5655(4) 0.04598(19) 0.065(3) Uani 0.902(5) 1 d D U P Q 1
H17A_32 H 0.076329 0.600423 0.044767 0.078 Uiso 0.902(5) 1 calc R U P Q 1
H17B_32 H 0.121529 0.542582 0.049162 0.078 Uiso 0.902(5) 1 calc R U P Q 1
C18_32 C 0.0373(5) 0.5551(4) 0.0116(2) 0.072(3) Uani 0.902(5) 1 d D U P Q 1
H18A_32 H 0.068550 0.562201 -0.008874 0.087 Uiso 0.902(5) 1 calc R U P Q 1
H18B_32 H 0.037885 0.519034 0.011816 0.087 Uiso 0.902(5) 1 calc R U P Q 1
C19_32 C -0.0420(6) 0.5862(4) 0.00631(19) 0.072(3) Uani 0.902(5) 1 d D U P Q 1
H19A_32 H -0.062635 0.575970 -0.015470 0.086 Uiso 0.902(5) 1 calc R U P Q 1
H19B_32 H -0.041689 0.621968 0.002570 0.086 Uiso 0.902(5) 1 calc R U P Q 1
C20_32 C -0.0928(4) 0.5803(3) 0.03841(17) 0.052(2) Uani 0.902(5) 1 d D U P Q 1
H20A_32 H -0.142969 0.603571 0.034930 0.062 Uiso 0.902(5) 1 calc R U P Q 1
H20B_32 H -0.098790 0.545602 0.040517 0.062 Uiso 0.902(5) 1 calc R U P Q 1
C21_32 C -0.1703(3) 0.5490(2) 0.11339(18) 0.0338(13) Uani 0.902(5) 1 d D U P Q
1
H21_32 H -0.191853 0.549603 0.089030 0.041 Uiso 0.902(5) 1 calc R U P Q 1
C22_32 C -0.1179(3) 0.4968(2) 0.1203(2) 0.0373(14) Uani 0.902(5) 1 d D U P Q 1
H22A_32 H -0.077539 0.491195 0.102007 0.045 Uiso 0.902(5) 1 calc R U P Q 1
H22B_32 H -0.094535 0.495012 0.144028 0.045 Uiso 0.902(5) 1 calc R U P Q 1
C23_32 C -0.1599(4) 0.4558(3) 0.1190(3) 0.055(2) Uani 0.902(5) 1 d D U P Q 1
H23A_32 H -0.177574 0.454749 0.094321 0.066 Uiso 0.902(5) 1 calc R U P Q 1
H23B_32 H -0.125334 0.422892 0.125406 0.066 Uiso 0.902(5) 1 calc R U P Q 1
C24_32 C -0.2263(4) 0.4648(3) 0.1444(3) 0.063(2) Uani 0.902(5) 1 d D U P Q 1
H24A_32 H -0.254625 0.439279 0.141249 0.076 Uiso 0.902(5) 1 calc R U P Q 1
H24B_32 H -0.208081 0.460915 0.169361 0.076 Uiso 0.902(5) 1 calc R U P Q 1
C25_32 C -0.2782(4) 0.5167(3) 0.1382(2) 0.0584(18) Uani 0.902(5) 1 d D U P Q 1
H25A_32 H -0.318431 0.521887 0.156572 0.070 Uiso 0.902(5) 1 calc R U P Q 1
H25B_32 H -0.301786 0.519089 0.114481 0.070 Uiso 0.902(5) 1 calc R U P Q 1
C26_32 C -0.2360(4) 0.5578(3) 0.1400(2) 0.0569(18) Uani 0.902(5) 1 d D U P Q 1
H26A_32 H -0.216989 0.557891 0.164567 0.068 Uiso 0.902(5) 1 calc R U P Q 1
H26B_32 H -0.270667 0.591000 0.134399 0.068 Uiso 0.902(5) 1 calc R U P Q 1
O1_33 O 0.5950(5) 0.2056(5) 0.8799(3) 0.036(2) Uani 0.441(5) 1 d D U P E 2
C1_33 C 0.5258(6) 0.2130(4) 0.8942(3) 0.0474(19) Uani 0.441(5) 1 d D U P E 2
C2_33 C 0.5190(7) 0.1673(5) 0.9189(3) 0.058(2) Uani 0.441(5) 1 d D U P E 2
F1_33 F 0.4485(6) 0.1670(5) 0.9255(3) 0.078(3) Uani 0.441(5) 1 d D U P E 2
F2_33 F 0.5535(8) 0.1242(5) 0.9042(3) 0.073(3) Uani 0.441(5) 1 d D U P E 2
F3_33 F 0.5520(7) 0.1685(5) 0.9503(2) 0.073(3) Uani 0.441(5) 1 d D U P E 2
C3_33 C 0.5108(6) 0.2602(5) 0.9164(3) 0.055(2) Uani 0.441(5) 1 d D U P E 2
F4_33 F 0.4535(5) 0.2636(5) 0.9391(3) 0.064(3) Uani 0.441(5) 1 d D U P E 2
F5_33 F 0.5706(5) 0.2612(4) 0.9352(2) 0.053(2) Uani 0.441(5) 1 d D U P E 2
F6_33 F 0.4958(7) 0.3016(5) 0.8938(3) 0.068(3) Uani 0.441(5) 1 d D U P E 2
C4_33 C 0.4671(7) 0.2214(5) 0.8646(3) 0.062(3) Uani 0.441(5) 1 d D U P E 2
F7_33 F 0.4852(6) 0.2497(6) 0.8369(3) 0.084(3) Uani 0.441(5) 1 d D U P E 2
F8_33 F 0.3992(6) 0.2457(7) 0.8763(4) 0.091(4) Uani 0.441(5) 1 d D U P E 2
F9_33 F 0.4609(5) 0.1794(5) 0.8515(3) 0.072(3) Uani 0.441(5) 1 d D U P E 2
O1_34 O 0.6490(9) 0.1338(7) 0.8321(5) 0.036(3) Uani 0.460(6) 1 d D U P E 2
C1_34 C 0.6203(6) 0.1077(4) 0.8093(3) 0.043(2) Uani 0.460(6) 1 d D U P E 2
C2_34 C 0.6631(7) 0.1064(5) 0.7733(3) 0.055(2) Uani 0.460(6) 1 d D U P E 2
F1_34 F 0.6398(10) 0.1500(6) 0.7541(5) 0.060(4) Uani 0.460(6) 1 d D U P E 2
F2_34 F 0.6563(8) 0.0684(4) 0.7539(3) 0.075(3) Uani 0.460(6) 1 d D U P E 2
F3_34 F 0.7363(6) 0.0984(6) 0.7787(4) 0.069(3) Uani 0.460(6) 1 d D U P E 2
C3_34 C 0.6295(8) 0.0539(5) 0.8260(4) 0.065(3) Uani 0.460(6) 1 d D U P E 2
F4_34 F 0.6081(11) 0.0564(6) 0.8601(4) 0.079(4) Uani 0.460(6) 1 d D U P E 2
F5_34 F 0.7011(7) 0.0281(4) 0.8227(4) 0.082(3) Uani 0.460(6) 1 d D U P E 2
F6_34 F 0.5851(9) 0.0297(5) 0.8102(4) 0.082(4) Uani 0.460(6) 1 d D U P E 2
C4_34 C 0.5357(6) 0.1325(4) 0.8028(3) 0.052(2) Uani 0.460(6) 1 d D U P E 2
F7_34 F 0.4963(6) 0.1218(5) 0.8312(3) 0.077(3) Uani 0.460(6) 1 d D U P E 2
F8_34 F 0.5121(6) 0.1157(4) 0.7736(3) 0.067(3) Uani 0.460(6) 1 d D U P E 2
F9_34 F 0.5238(5) 0.1820(3) 0.7982(3) 0.052(2) Uani 0.460(6) 1 d D U P E 2
O1_35 O 0.1154(12) 0.2439(7) 1.0823(5) 0.055(4) Uani 0.348(5) 1 d D U P H 2
C1_35 C 0.1130(8) 0.2718(5) 1.1109(4) 0.066(3) Uani 0.348(5) 1 d D U P H 2
C2_35 C 0.0882(11) 0.2436(7) 1.1439(5) 0.097(4) Uani 0.348(5) 1 d D U P H 2
F1_35 F 0.0569(16) 0.2769(9) 1.1682(6) 0.142(7) Uani 0.348(5) 1 d D U P H 2
F2_35 F 0.1457(11) 0.2101(8) 1.1585(5) 0.115(5) Uani 0.348(5) 1 d D U P H 2
F3_35 F 0.0380(11) 0.2192(9) 1.1350(6) 0.124(5) Uani 0.348(5) 1 d D U P H 2
C3_35 C 0.1898(8) 0.2821(6) 1.1171(5) 0.071(3) Uani 0.348(5) 1 d D U P H 2
F4_35 F 0.2013(14) 0.3166(9) 1.0928(7) 0.081(5) Uani 0.348(5) 1 d D U P H 2
F5_35 F 0.2434(8) 0.2394(5) 1.1166(6) 0.092(5) Uani 0.348(5) 1 d D U P H 2
F6_35 F 0.1944(12) 0.3014(7) 1.1484(4) 0.103(5) Uani 0.348(5) 1 d D U P H 2
C4_35 C 0.0538(9) 0.3219(6) 1.1050(5) 0.076(3) Uani 0.348(5) 1 d D U P H 2
F7_35 F 0.0632(12) 0.3580(6) 1.1254(6) 0.110(5) Uani 0.348(5) 1 d D U P H 2
F8_35 F 0.0570(12) 0.3388(8) 1.0715(4) 0.109(5) Uani 0.348(5) 1 d D U P H 2
F9_35 F -0.0140(10) 0.3148(9) 1.1123(7) 0.112(5) Uani 0.348(5) 1 d D U P H 2
P1_36 P -0.1391(14) 0.6011(10) 0.1150(8) 0.044(4) Uani 0.098(5) 1 d D U P Q 2
P2_36 P -0.1436(18) 0.7007(12) 0.1636(9) 0.041(4) Uani 0.098(5) 1 d D U P Q 2
C1_36 C -0.087(2) 0.5886(18) 0.0735(9) 0.061(10) Uani 0.098(5) 1 d D U P Q 2
H1_36 H -0.096973 0.556022 0.067514 0.073 Uiso 0.098(5) 1 calc R U P Q 2
C2_36 C -0.114(3) 0.621(2) 0.0402(11) 0.079(14) Uani 0.098(5) 1 d D U P Q 2
H2A_36 H -0.101287 0.653591 0.041489 0.095 Uiso 0.098(5) 1 calc R U P Q 2
H2B_36 H -0.168955 0.627289 0.038632 0.095 Uiso 0.098(5) 1 calc R U P Q 2
C3_36 C -0.078(3) 0.595(3) 0.0066(9) 0.075(12) Uani 0.098(5) 1 d D U P Q 2
H3A_36 H -0.095755 0.564598 0.003521 0.090 Uiso 0.098(5) 1 calc R U P Q 2
H3B_36 H -0.092594 0.617956 -0.014677 0.090 Uiso 0.098(5) 1 calc R U P Q 2
C4_36 C 0.007(3) 0.580(3) 0.0093(11) 0.069(11) Uani 0.098(5) 1 d D U P Q 2
H4A_36 H 0.027858 0.561059 -0.011732 0.083 Uiso 0.098(5) 1 calc R U P Q 2
H4B_36 H 0.025094 0.611108 0.008571 0.083 Uiso 0.098(5) 1 calc R U P Q 2
C5_36 C 0.035(3) 0.549(2) 0.0428(14) 0.060(10) Uani 0.098(5) 1 d D U P Q 2
H5A_36 H 0.089685 0.544419 0.044336 0.072 Uiso 0.098(5) 1 calc R U P Q 2
H5B_36 H 0.024863 0.515695 0.041488 0.072 Uiso 0.098(5) 1 calc R U P Q 2
C6_36 C -0.002(2) 0.574(3) 0.0765(11) 0.060(12) Uani 0.098(5) 1 d D U P Q 2
H6A_36 H 0.012220 0.550056 0.097449 0.072 Uiso 0.098(5) 1 calc R U P Q 2
H6B_36 H 0.015566 0.603998 0.080436 0.072 Uiso 0.098(5) 1 calc R U P Q 2
C7_36 C -0.2002(17) 0.5568(13) 0.1190(11) 0.052(5) Uani 0.098(5) 1 d D U P Q 2
H7_36 H -0.184667 0.532295 0.099838 0.062 Uiso 0.098(5) 1 calc R U P Q 2
C8_36 C -0.2818(19) 0.5853(16) 0.1119(15) 0.059(6) Uani 0.098(5) 1 d D U P Q 2
H8A_36 H -0.298797 0.610455 0.130171 0.071 Uiso 0.098(5) 1 calc R U P Q 2
H8B_36 H -0.285295 0.603372 0.088135 0.071 Uiso 0.098(5) 1 calc R U P Q 2
C9_36 C -0.332(2) 0.549(2) 0.1128(15) 0.066(6) Uani 0.098(5) 1 d D U P Q 2
H9A_36 H -0.385041 0.568553 0.110236 0.079 Uiso 0.098(5) 1 calc R U P Q 2
H9B_36 H -0.319625 0.527121 0.092379 0.079 Uiso 0.098(5) 1 calc R U P Q 2
C10_36 C -0.324(2) 0.517(2) 0.1472(15) 0.066(6) Uani 0.098(5) 1 d D U P Q 2
H10A_36 H -0.354289 0.492175 0.145703 0.079 Uiso 0.098(5) 1 calc R U P Q 2
H10B_36 H -0.344223 0.538604 0.167295 0.079 Uiso 0.098(5) 1 calc R U P Q 2
C11_36 C -0.244(3) 0.4897(18) 0.1549(16) 0.061(5) Uani 0.098(5) 1 d D U P Q 2
H11A_36 H -0.225332 0.464709 0.136577 0.073 Uiso 0.098(5) 1 calc R U P Q 2
H11B_36 H -0.240544 0.471467 0.178536 0.073 Uiso 0.098(5) 1 calc R U P Q 2
C12_36 C -0.194(2) 0.5267(18) 0.1546(13) 0.055(5) Uani 0.098(5) 1 d D U P Q 2
H12A_36 H -0.208878 0.549814 0.174311 0.066 Uiso 0.098(5) 1 calc R U P Q 2
H12B_36 H -0.140844 0.507965 0.158501 0.066 Uiso 0.098(5) 1 calc R U P Q 2
C13_36 C -0.2129(19) 0.6601(12) 0.1116(13) 0.048(3) Uani 0.098(5) 1 d D U P Q 2
H13A_36 H -0.234918 0.664358 0.087379 0.058 Uiso 0.098(5) 1 calc R U P Q 2
H13B_36 H -0.253092 0.658311 0.129141 0.058 Uiso 0.098(5) 1 calc R U P Q 2
C14_36 C -0.183(3) 0.7049(13) 0.1185(10) 0.045(3) Uani 0.098(5) 1 d D U P Q 2
H14A_36 H -0.223812 0.735882 0.115646 0.054 Uiso 0.098(5) 1 calc R U P Q 2
H14B_36 H -0.143577 0.707117 0.100564 0.054 Uiso 0.098(5) 1 calc R U P Q 2
C15_36 C -0.100(2) 0.7525(12) 0.1645(14) 0.045(4) Uani 0.098(5) 1 d D U P Q 2
H15_36 H -0.116056 0.762689 0.189312 0.054 Uiso 0.098(5) 1 calc R U P Q 2
C16_36 C -0.017(2) 0.7423(13) 0.1701(17) 0.051(5) Uani 0.098(5) 1 d D U P Q 2
H16A_36 H 0.009100 0.738058 0.146705 0.061 Uiso 0.098(5) 1 calc R U P Q 2
H16B_36 H 0.000519 0.710722 0.184821 0.061 Uiso 0.098(5) 1 calc R U P Q 2
C17_36 C 0.003(3) 0.7854(17) 0.1889(17) 0.053(6) Uani 0.098(5) 1 d D U P Q 2
H17A_36 H -0.015121 0.785556 0.213930 0.064 Uiso 0.098(5) 1 calc R U P Q 2
H17B_36 H 0.058151 0.779733 0.189290 0.064 Uiso 0.098(5) 1 calc R U P Q 2
C18_36 C -0.031(3) 0.8356(15) 0.1704(19) 0.061(6) Uani 0.098(5) 1 d D U P Q 2
H18A_36 H -0.021996 0.862242 0.185210 0.073 Uiso 0.098(5) 1 calc R U P Q 2
H18B_36 H -0.004589 0.837733 0.147248 0.073 Uiso 0.098(5) 1 calc R U P Q 2
C19_36 C -0.113(3) 0.8456(12) 0.164(2) 0.064(5) Uani 0.098(5) 1 d D U P Q 2
H19A_36 H -0.129321 0.876689 0.148190 0.077 Uiso 0.098(5) 1 calc R U P Q 2
H19B_36 H -0.140631 0.851094 0.186573 0.077 Uiso 0.098(5) 1 calc R U P Q 2
C20_36 C -0.134(3) 0.8024(15) 0.1454(17) 0.057(5) Uani 0.098(5) 1 d D U P Q 2
H20A_36 H -0.188753 0.808269 0.145049 0.068 Uiso 0.098(5) 1 calc R U P Q 2
H20B_36 H -0.115415 0.801595 0.120356 0.068 Uiso 0.098(5) 1 calc R U P Q 2
C21_36 C -0.220(2) 0.7065(15) 0.1964(12) 0.035(4) Uani 0.098(5) 1 d D U P Q 2
H21_36 H -0.194253 0.694984 0.219876 0.042 Uiso 0.098(5) 1 calc R U P Q 2
C22_36 C -0.263(3) 0.7608(14) 0.2011(17) 0.033(5) Uani 0.098(5) 1 d D U P Q 2
H22A_36 H -0.290470 0.774406 0.178989 0.040 Uiso 0.098(5) 1 calc R U P Q 2
H22B_36 H -0.226942 0.781322 0.205413 0.040 Uiso 0.098(5) 1 calc R U P Q 2
C23_36 C -0.318(3) 0.764(2) 0.2328(18) 0.037(5) Uani 0.098(5) 1 d D U P Q 2
H23A_36 H -0.289169 0.753553 0.255232 0.044 Uiso 0.098(5) 1 calc R U P Q 2
H23B_36 H -0.346937 0.799182 0.234618 0.044 Uiso 0.098(5) 1 calc R U P Q 2
C24_36 C -0.370(3) 0.731(2) 0.228(2) 0.041(5) Uani 0.098(5) 1 d D U P Q 2
H24A_36 H -0.402846 0.731854 0.249399 0.049 Uiso 0.098(5) 1 calc R U P Q 2
H24B_36 H -0.402444 0.743599 0.207068 0.049 Uiso 0.098(5) 1 calc R U P Q 2
C25_36 C -0.328(3) 0.6767(19) 0.2227(17) 0.039(5) Uani 0.098(5) 1 d D U P Q 2
H25A_36 H -0.364649 0.656966 0.217616 0.047 Uiso 0.098(5) 1 calc R U P Q 2
H25B_36 H -0.301683 0.662140 0.244937 0.047 Uiso 0.098(5) 1 calc R U P Q 2
C26_36 C -0.272(3) 0.6727(16) 0.1918(14) 0.035(5) Uani 0.098(5) 1 d D U P Q 2
H26A_36 H -0.242257 0.637491 0.190739 0.042 Uiso 0.098(5) 1 calc R U P Q 2
H26B_36 H -0.299172 0.682313 0.168994 0.042 Uiso 0.098(5) 1 calc R U P Q 2
O1_37 O 0.4959(11) 0.4616(7) 0.3422(4) 0.039(3) Uani 0.227(5) 1 d D U P A 2
C1_37 C 0.5268(8) 0.4444(6) 0.3743(4) 0.053(2) Uani 0.227(5) 1 d D U P A 2
C2_37 C 0.5451(11) 0.4876(7) 0.3944(5) 0.060(3) Uani 0.227(5) 1 d D U P A 2
F1_37 F 0.6086(13) 0.4966(12) 0.3826(9) 0.072(5) Uani 0.227(5) 1 d D U P A 2
F2_37 F 0.5500(16) 0.4754(9) 0.4295(4) 0.076(5) Uani 0.227(5) 1 d D U P A 2
F3_37 F 0.4891(14) 0.5293(8) 0.3918(7) 0.073(5) Uani 0.227(5) 1 d D U P A 2
C3_37 C 0.4666(10) 0.4275(7) 0.3978(5) 0.064(3) Uani 0.227(5) 1 d D U P A 2
F4_37 F 0.4317(13) 0.3996(8) 0.3796(6) 0.072(4) Uani 0.227(5) 1 d D U P A 2
F5_37 F 0.4186(12) 0.4703(7) 0.4086(6) 0.072(5) Uani 0.227(5) 1 d D U P A 2
F6_37 F 0.4988(15) 0.3985(10) 0.4258(6) 0.082(6) Uani 0.227(5) 1 d D U P A 2
C4_37 C 0.6007(9) 0.4039(7) 0.3710(5) 0.059(3) Uani 0.227(5) 1 d D U P A 2
F7_37 F 0.5880(18) 0.3593(8) 0.3649(9) 0.076(6) Uani 0.227(5) 1 d D U P A 2
F8_37 F 0.6450(11) 0.3985(8) 0.3997(5) 0.063(4) Uani 0.227(5) 1 d D U P A 2
F9_37 F 0.6428(9) 0.4149(8) 0.3438(4) 0.058(4) Uani 0.227(5) 1 d D U P A 2
O1_38 O 0.2069(8) 0.2075(7) 1.0225(5) 0.058(3) Uani 0.371(7) 1 d D U P H 2
C1_38 C 0.2719(8) 0.2032(5) 1.0048(4) 0.060(2) Uani 0.371(7) 1 d D U P H 2
C2_38 C 0.3313(9) 0.2194(7) 1.0258(4) 0.079(3) Uani 0.371(7) 1 d D U P H 2
F1_38 F 0.3181(11) 0.2691(6) 1.0253(6) 0.108(5) Uani 0.371(7) 1 d D U P H 2
F2_38 F 0.3996(9) 0.2014(9) 1.0128(6) 0.111(5) Uani 0.371(7) 1 d D U P H 2
F3_38 F 0.3266(13) 0.2066(9) 1.0602(4) 0.109(5) Uani 0.371(7) 1 d D U P H 2
C3_38 C 0.3026(9) 0.1478(6) 0.9955(5) 0.085(3) Uani 0.371(7) 1 d D U P H 2
F4_38 F 0.2421(11) 0.1320(9) 0.9866(7) 0.118(6) Uani 0.371(7) 1 d D U P H 2
F5_38 F 0.3402(11) 0.1218(7) 1.0238(5) 0.115(6) Uani 0.371(7) 1 d D U P H 2
F6_38 F 0.3514(12) 0.1378(8) 0.9690(5) 0.104(5) Uani 0.371(7) 1 d D U P H 2
C4_38 C 0.2544(9) 0.2347(6) 0.9697(4) 0.086(3) Uani 0.371(7) 1 d D U P H 2
F7_38 F 0.2205(13) 0.2108(8) 0.9478(6) 0.131(6) Uani 0.371(7) 1 d D U P H 2
F8_38 F 0.3160(10) 0.2382(9) 0.9523(5) 0.116(6) Uani 0.371(7) 1 d D U P H 2
F9_38 F 0.2091(12) 0.2801(7) 0.9742(6) 0.117(6) Uani 0.371(7) 1 d D U P H 2
O1_39 O 0.2579(15) 0.1559(12) 0.3633(8) 0.062(5) Uani 0.303(6) 1 d D U P G 2
C1_39 C 0.3174(10) 0.1345(6) 0.3834(4) 0.064(3) Uani 0.303(6) 1 d D U P G 2
C2_39 C 0.3076(12) 0.0873(7) 0.4049(5) 0.080(4) Uani 0.303(6) 1 d D U P G 2
F1_39 F 0.2866(13) 0.0965(9) 0.4381(5) 0.103(5) Uani 0.303(6) 1 d D U P G 2
F2_39 F 0.3743(14) 0.0527(11) 0.4078(8) 0.116(7) Uani 0.303(6) 1 d D U P G 2
F3_39 F 0.2608(13) 0.0673(7) 0.3874(6) 0.088(5) Uani 0.303(6) 1 d D U P G 2
C3_39 C 0.3845(11) 0.1153(7) 0.3576(5) 0.083(4) Uani 0.303(6) 1 d D U P G 2
F4_39 F 0.3900(14) 0.1521(8) 0.3339(6) 0.103(6) Uani 0.303(6) 1 d D U P G 2
F5_39 F 0.3728(11) 0.0767(7) 0.3405(5) 0.090(5) Uani 0.303(6) 1 d D U P G 2
F6_39 F 0.4456(12) 0.0988(11) 0.3774(7) 0.115(7) Uani 0.303(6) 1 d D U P G 2
C4_39 C 0.3394(11) 0.1705(7) 0.4085(5) 0.075(4) Uani 0.303(6) 1 d D U P G 2
F7_39 F 0.3758(12) 0.2002(8) 0.3899(6) 0.092(5) Uani 0.303(6) 1 d D U P G 2
F8_39 F 0.3842(15) 0.1450(11) 0.4348(7) 0.119(6) Uani 0.303(6) 1 d D U P G 2
F9_39 F 0.2808(12) 0.1978(9) 0.4258(6) 0.102(5) Uani 0.303(6) 1 d D U P G 2
O1_40 O 0.4274(18) 0.4939(13) 1.0671(6) 0.037(3) Uani 0.375(8) 1 d D U P F 2
C1_40 C 0.4581(8) 0.5034(5) 1.0976(4) 0.037(2) Uani 0.375(8) 1 d D U P F 2
C2_40 C 0.5066(8) 0.4530(5) 1.1132(4) 0.048(2) Uani 0.375(8) 1 d D U P F 2
F1_40 F 0.4639(9) 0.4262(5) 1.1298(4) 0.061(3) Uani 0.375(8) 1 d D U P F 2
F2_40 F 0.5569(16) 0.4578(12) 1.1370(7) 0.062(4) Uani 0.375(8) 1 d D U P F 2
F3_40 F 0.5449(15) 0.4284(7) 1.0856(6) 0.062(4) Uani 0.375(8) 1 d D U P F 2
C3_40 C 0.5080(7) 0.5402(5) 1.0899(4) 0.040(2) Uani 0.375(8) 1 d D U P F 2
F4_40 F 0.4702(12) 0.5784(8) 1.0682(5) 0.051(4) Uani 0.375(8) 1 d D U P F 2
F5_40 F 0.5728(6) 0.5154(5) 1.0751(3) 0.049(3) Uani 0.375(8) 1 d D U P F 2
F6_40 F 0.5228(11) 0.5612(10) 1.1194(5) 0.041(3) Uani 0.375(8) 1 d D U P F 2
C4_40 C 0.3949(7) 0.5259(5) 1.1238(4) 0.046(2) Uani 0.375(8) 1 d D U P F 2
F7_40 F 0.3666(8) 0.5748(5) 1.1159(4) 0.061(3) Uani 0.375(8) 1 d D U P F 2
F8_40 F 0.4215(14) 0.5236(9) 1.1572(4) 0.059(4) Uani 0.375(8) 1 d D U P F 2
F9_40 F 0.3419(10) 0.5006(8) 1.1246(7) 0.053(4) Uani 0.375(8) 1 d D U P F 2
O1_41 O 0.1079(10) 0.4333(9) 0.4590(5) 0.073(4) Uani 0.447(8) 1 d D U P J 2
C1_41 C 0.1436(9) 0.4360(6) 0.4278(4) 0.092(3) Uani 0.447(8) 1 d D U P J 2
C2_41 C 0.2269(9) 0.4348(7) 0.4353(5) 0.105(4) Uani 0.447(8) 1 d D U P J 2
F1_41 F 0.2317(11) 0.4788(8) 0.4455(7) 0.141(5) Uani 0.447(8) 1 d D U P J 2
F2_41 F 0.2680(16) 0.4224(12) 0.4056(6) 0.137(7) Uani 0.447(8) 1 d D U P J 2
F3_41 F 0.2547(10) 0.4011(9) 0.4616(5) 0.127(5) Uani 0.447(8) 1 d D U P J 2
C3_41 C 0.1480(11) 0.3909(7) 0.4044(5) 0.126(4) Uani 0.447(8) 1 d D U P J 2
F4_41 F 0.0844(12) 0.3766(10) 0.4034(7) 0.156(6) Uani 0.447(8) 1 d D U P J 2
F5_41 F 0.1977(12) 0.3498(7) 0.4187(7) 0.156(6) Uani 0.447(8) 1 d D U P J 2
F6_41 F 0.1666(15) 0.4070(10) 0.3713(5) 0.170(7) Uani 0.447(8) 1 d D U P J 2
C4_41 C 0.1067(10) 0.4854(7) 0.4071(5) 0.122(4) Uani 0.447(8) 1 d D U P J 2
F7_41 F 0.0488(10) 0.4780(10) 0.3885(5) 0.147(6) Uani 0.447(8) 1 d D U P J 2
F8_41 F 0.1454(12) 0.5064(8) 0.3832(6) 0.137(6) Uani 0.447(8) 1 d D U P J 2
F9_41 F 0.0873(14) 0.5226(7) 0.4301(5) 0.142(5) Uani 0.447(8) 1 d D U P J 2
P1_42 P 0.5296(7) 0.1567(4) 1.1543(3) 0.034(2) Uani 0.465(7) 1 d D U P M 2
P2_42 P 0.5931(9) 0.0604(5) 1.1033(3) 0.032(2) Uani 0.465(7) 1 d D U P M 2
C1_42 C 0.5457(14) 0.1310(9) 1.2001(4) 0.039(5) Uani 0.465(7) 1 d D U P M 2
H1_42 H 0.584188 0.098264 1.198581 0.047 Uiso 0.465(7) 1 calc R U P M 2
C2_42 C 0.4778(15) 0.1189(14) 1.2190(6) 0.052(6) Uani 0.465(7) 1 d D U P M 2
H2A_42 H 0.457999 0.095986 1.204665 0.062 Uiso 0.465(7) 1 calc R U P M 2
H2B_42 H 0.437846 0.150123 1.221501 0.062 Uiso 0.465(7) 1 calc R U P M 2
C3_42 C 0.5004(18) 0.0940(13) 1.2561(6) 0.061(8) Uani 0.465(7) 1 d D U P M 2
H3A_42 H 0.455716 0.087928 1.268711 0.073 Uiso 0.465(7) 1 calc R U P M 2
H3B_42 H 0.536720 0.061158 1.253347 0.073 Uiso 0.465(7) 1 calc R U P M 2
C4_42 C 0.5352(19) 0.1265(15) 1.2781(5) 0.060(7) Uani 0.465(7) 1 d D U P M 2
H4A_42 H 0.550961 0.108860 1.301421 0.072 Uiso 0.465(7) 1 calc R U P M 2
H4B_42 H 0.497272 0.158102 1.282694 0.072 Uiso 0.465(7) 1 calc R U P M 2
C5_42 C 0.6025(17) 0.1390(15) 1.2592(6) 0.052(6) Uani 0.465(7) 1 d D U P M 2
H5A_42 H 0.642628 0.107793 1.256773 0.063 Uiso 0.465(7) 1 calc R U P M 2
H5B_42 H 0.622018 0.161816 1.273730 0.063 Uiso 0.465(7) 1 calc R U P M 2
C6_42 C 0.5805(17) 0.1640(11) 1.2221(6) 0.041(5) Uani 0.465(7) 1 d D U P M 2
H6A_42 H 0.544286 0.196872 1.224746 0.049 Uiso 0.465(7) 1 calc R U P M 2
H6B_42 H 0.625480 0.169913 1.209624 0.049 Uiso 0.465(7) 1 calc R U P M 2
C7_42 C 0.4839(8) 0.2238(4) 1.1536(4) 0.044(3) Uani 0.465(7) 1 d D U P M 2
H7_42 H 0.512492 0.236289 1.171981 0.052 Uiso 0.465(7) 1 calc R U P M 2
C8_42 C 0.4045(11) 0.2371(5) 1.1684(8) 0.045(4) Uani 0.465(7) 1 d D U P M 2
H8A_42 H 0.371694 0.224546 1.152628 0.054 Uiso 0.465(7) 1 calc R U P M 2
H8B_42 H 0.403820 0.220281 1.192391 0.054 Uiso 0.465(7) 1 calc R U P M 2
C9_42 C 0.3741(9) 0.2934(5) 1.1713(5) 0.059(4) Uani 0.465(7) 1 d D U P M 2
H9A_42 H 0.319478 0.300538 1.175803 0.071 Uiso 0.465(7) 1 calc R U P M 2
H9B_42 H 0.397132 0.303932 1.192247 0.071 Uiso 0.465(7) 1 calc R U P M 2
C10_42 C 0.3875(9) 0.3239(5) 1.1394(5) 0.056(4) Uani 0.465(7) 1 d D U P M 2
H10A_42 H 0.375149 0.359600 1.145589 0.067 Uiso 0.465(7) 1 calc R U P M 2
H10B_42 H 0.352688 0.320850 1.120381 0.067 Uiso 0.465(7) 1 calc R U P M 2
C11_42 C 0.4659(10) 0.3103(5) 1.1246(6) 0.049(4) Uani 0.465(7) 1 d D U P M 2
H11A_42 H 0.499413 0.321765 1.140756 0.058 Uiso 0.465(7) 1 calc R U P M 2
H11B_42 H 0.466946 0.328069 1.100986 0.058 Uiso 0.465(7) 1 calc R U P M 2
C12_42 C 0.4952(9) 0.2541(5) 1.1205(4) 0.055(3) Uani 0.465(7) 1 d D U P M 2
H12A_42 H 0.469235 0.244047 1.100336 0.066 Uiso 0.465(7) 1 calc R U P M 2
H12B_42 H 0.549282 0.246485 1.114632 0.066 Uiso 0.465(7) 1 calc R U P M 2
C13_42 C 0.4661(10) 0.1269(6) 1.1318(5) 0.031(2) Uani 0.465(7) 1 d D U P M 2
H13A_42 H 0.419938 0.129890 1.146398 0.037 Uiso 0.465(7) 1 calc R U P M 2
H13B_42 H 0.451751 0.144577 1.108344 0.037 Uiso 0.465(7) 1 calc R U P M 2
C14_42 C 0.5019(10) 0.0716(6) 1.1263(6) 0.031(2) Uani 0.465(7) 1 d D U P M 2
H14A_42 H 0.467593 0.057924 1.112106 0.038 Uiso 0.465(7) 1 calc R U P M 2
H14B_42 H 0.508467 0.053063 1.149861 0.038 Uiso 0.465(7) 1 calc R U P M 2
C15_42 C 0.6439(13) -0.0043(5) 1.1165(5) 0.043(4) Uani 0.465(7) 1 d D U P M 2
H15_42 H 0.690764 -0.011617 1.101725 0.051 Uiso 0.465(7) 1 calc R U P M 2
C16_42 C 0.6687(15) -0.0089(6) 1.1551(5) 0.052(6) Uani 0.465(7) 1 d D U P M 2
H16A_42 H 0.623980 0.000078 1.170825 0.062 Uiso 0.465(7) 1 calc R U P M 2
H16B_42 H 0.699293 0.015196 1.158672 0.062 Uiso 0.465(7) 1 calc R U P M 2
C17_42 C 0.7145(14) -0.0621(7) 1.1662(6) 0.071(7) Uani 0.465(7) 1 d D U P M 2
H17A_42 H 0.762466 -0.069692 1.152807 0.085 Uiso 0.465(7) 1 calc R U P M 2
H17B_42 H 0.725802 -0.064082 1.192041 0.085 Uiso 0.465(7) 1 calc R U P M 2
C18_42 C 0.6708(14) -0.1001(7) 1.1584(6) 0.068(6) Uani 0.465(7) 1 d D U P M 2
H18A_42 H 0.701918 -0.134350 1.164542 0.082 Uiso 0.465(7) 1 calc R U P M 2
H18B_42 H 0.625357 -0.094389 1.173687 0.082 Uiso 0.465(7) 1 calc R U P M 2
C19_42 C 0.6483(15) -0.0967(6) 1.1196(6) 0.071(6) Uani 0.465(7) 1 d D U P M 2
H19A_42 H 0.618245 -0.121084 1.115915 0.085 Uiso 0.465(7) 1 calc R U P M 2
H19B_42 H 0.693852 -0.105792 1.104472 0.085 Uiso 0.465(7) 1 calc R U P M 2
C20_42 C 0.6028(15) -0.0440(7) 1.1080(7) 0.058(5) Uani 0.465(7) 1 d D U P M 2
H20A_42 H 0.553791 -0.036847 1.120515 0.069 Uiso 0.465(7) 1 calc R U P M 2
H20B_42 H 0.593439 -0.042393 1.081974 0.069 Uiso 0.465(7) 1 calc R U P M 2
C21_42 C 0.5786(6) 0.0680(5) 1.0551(2) 0.030(2) Uani 0.465(7) 1 d D U P M 2
H21_42 H 0.564389 0.104973 1.049243 0.036 Uiso 0.465(7) 1 calc R U P M 2
C22_42 C 0.6519(6) 0.0474(8) 1.0351(3) 0.052(3) Uani 0.465(7) 1 d D U P M 2
H22A_42 H 0.691270 0.061803 1.044448 0.063 Uiso 0.465(7) 1 calc R U P M 2
H22B_42 H 0.667796 0.010479 1.039386 0.063 Uiso 0.465(7) 1 calc R U P M 2
C23_42 C 0.6434(8) 0.0600(8) 0.9950(3) 0.058(3) Uani 0.465(7) 1 d D U P M 2
H23A_42 H 0.691000 0.045169 0.982549 0.069 Uiso 0.465(7) 1 calc R U P M 2
H23B_42 H 0.631241 0.096889 0.990391 0.069 Uiso 0.465(7) 1 calc R U P M 2
C24_42 C 0.5803(8) 0.0391(8) 0.9806(3) 0.058(3) Uani 0.465(7) 1 d D U P M 2
H24A_42 H 0.573577 0.048385 0.954720 0.070 Uiso 0.465(7) 1 calc R U P M 2
H24B_42 H 0.594507 0.001996 0.983525 0.070 Uiso 0.465(7) 1 calc R U P M 2
C25_42 C 0.5070(7) 0.0597(6) 1.0004(3) 0.045(3) Uani 0.465(7) 1 d D U P M 2
H25A_42 H 0.491011 0.096608 0.995896 0.054 Uiso 0.465(7) 1 calc R U P M 2
H25B_42 H 0.467767 0.045153 0.991091 0.054 Uiso 0.465(7) 1 calc R U P M 2
C26_42 C 0.5151(6) 0.0476(5) 1.0404(3) 0.031(2) Uani 0.465(7) 1 d D U P M 2
H26A_42 H 0.526456 0.010823 1.045192 0.037 Uiso 0.465(7) 1 calc R U P M 2
H26B_42 H 0.467493 0.062983 1.052672 0.037 Uiso 0.465(7) 1 calc R U P M 2
P1_43 P 0.7193(8) 0.2592(6) 0.4735(3) 0.041(4) Uani 0.112(4) 1 d D U P O 2
P2_43 P 0.5907(10) 0.3233(8) 0.5306(5) 0.034(5) Uani 0.112(4) 1 d D U P O 2
C1_43 C 0.8198(10) 0.2300(13) 0.4772(8) 0.046(5) Uani 0.112(4) 1 d D U P O 2
H1_43 H 0.826285 0.192825 0.477693 0.055 Uiso 0.112(4) 1 calc R U P O 2
C2_43 C 0.8657(15) 0.244(2) 0.4456(7) 0.051(5) Uani 0.112(4) 1 d D U P O 2
H2A_43 H 0.859662 0.280318 0.443900 0.061 Uiso 0.112(4) 1 calc R U P O 2
H2B_43 H 0.846923 0.233792 0.423166 0.061 Uiso 0.112(4) 1 calc R U P O 2
C3_43 C 0.9486(14) 0.217(2) 0.4499(10) 0.055(6) Uani 0.112(4) 1 d D U P O 2
H3A_43 H 0.955290 0.180259 0.448493 0.066 Uiso 0.112(4) 1 calc R U P O 2
H3B_43 H 0.977570 0.228285 0.430053 0.066 Uiso 0.112(4) 1 calc R U P O 2
C4_43 C 0.9787(14) 0.227(2) 0.4852(11) 0.057(6) Uani 0.112(4) 1 d D U P O 2
H4A_43 H 1.030907 0.206973 0.487958 0.068 Uiso 0.112(4) 1 calc R U P O 2
H4B_43 H 0.979413 0.263198 0.484950 0.068 Uiso 0.112(4) 1 calc R U P O 2
C5_43 C 0.9327(15) 0.216(2) 0.5168(9) 0.054(6) Uani 0.112(4) 1 d D U P O 2
H5A_43 H 0.951524 0.226507 0.538852 0.064 Uiso 0.112(4) 1 calc R U P O 2
H5B_43 H 0.938637 0.179002 0.519447 0.064 Uiso 0.112(4) 1 calc R U P O 2
C6_43 C 0.8498(15) 0.2421(19) 0.5125(7) 0.049(5) Uani 0.112(4) 1 d D U P O 2
H6A_43 H 0.821007 0.231213 0.532594 0.059 Uiso 0.112(4) 1 calc R U P O 2
H6B_43 H 0.842917 0.278800 0.513192 0.059 Uiso 0.112(4) 1 calc R U P O 2
C7_43 C 0.6813(18) 0.2456(16) 0.4320(7) 0.066(10) Uani 0.112(4) 1 d D U P O 2
H7_43 H 0.698300 0.208096 0.433601 0.080 Uiso 0.112(4) 1 calc R U P O 2
C8_43 C 0.713(3) 0.256(2) 0.3960(7) 0.078(12) Uani 0.112(4) 1 d D U P O 2
H8A_43 H 0.768587 0.247634 0.397525 0.094 Uiso 0.112(4) 1 calc R U P O 2
H8B_43 H 0.695478 0.292103 0.389136 0.094 Uiso 0.112(4) 1 calc R U P O 2
C9_43 C 0.691(3) 0.225(3) 0.3671(9) 0.085(12) Uani 0.112(4) 1 d D U P O 2
H9A_43 H 0.706894 0.236374 0.343432 0.102 Uiso 0.112(4) 1 calc R U P O 2
H9B_43 H 0.716713 0.189334 0.371498 0.102 Uiso 0.112(4) 1 calc R U P O 2
C10_43 C 0.607(3) 0.231(3) 0.3667(11) 0.094(13) Uani 0.112(4) 1 d D U P O 2
H10A_43 H 0.596519 0.207075 0.349741 0.113 Uiso 0.112(4) 1 calc R U P O 2
H10B_43 H 0.582229 0.265085 0.357981 0.113 Uiso 0.112(4) 1 calc R U P O 2
C11_43 C 0.576(3) 0.220(3) 0.4030(14) 0.097(13) Uani 0.112(4) 1 d D U P O 2
H11A_43 H 0.594529 0.184219 0.410131 0.116 Uiso 0.112(4) 1 calc R U P O 2
H11B_43 H 0.520419 0.227729 0.401419 0.116 Uiso 0.112(4) 1 calc R U P O 2
C12_43 C 0.5971(19) 0.252(3) 0.4314(11) 0.086(12) Uani 0.112(4) 1 d D U P O 2
H12A_43 H 0.571789 0.287818 0.426226 0.104 Uiso 0.112(4) 1 calc R U P O 2
H12B_43 H 0.579832 0.241865 0.455180 0.104 Uiso 0.112(4) 1 calc R U P O 2
C13_43 C 0.7002(18) 0.3270(7) 0.4761(11) 0.044(6) Uani 0.112(4) 1 d D U P O 2
H13A_43 H 0.737644 0.334643 0.492086 0.052 Uiso 0.112(4) 1 calc R U P O 2
H13B_43 H 0.707128 0.341876 0.452032 0.052 Uiso 0.112(4) 1 calc R U P O 2
C14_43 C 0.6234(18) 0.3520(11) 0.4896(8) 0.042(5) Uani 0.112(4) 1 d D U P O 2
H14A_43 H 0.587187 0.352625 0.470291 0.050 Uiso 0.112(4) 1 calc R U P O 2
H14B_43 H 0.622086 0.387266 0.494084 0.050 Uiso 0.112(4) 1 calc R U P O 2
C15_43 C 0.636(2) 0.3480(14) 0.5664(9) 0.049(9) Uani 0.112(4) 1 d D U P O 2
H15_43 H 0.595287 0.361712 0.583847 0.058 Uiso 0.112(4) 1 calc R U P O 2
C16_43 C 0.694(3) 0.3087(15) 0.5878(14) 0.069(11) Uani 0.112(4) 1 d D U P O 2
H16A_43 H 0.737060 0.294427 0.572235 0.083 Uiso 0.112(4) 1 calc R U P O 2
H16B_43 H 0.671530 0.281162 0.596521 0.083 Uiso 0.112(4) 1 calc R U P O 2
C17_43 C 0.721(4) 0.332(2) 0.6199(14) 0.081(13) Uani 0.112(4) 1 d D U P O 2
H17A_43 H 0.678928 0.342428 0.636983 0.097 Uiso 0.112(4) 1 calc R U P O 2
H17B_43 H 0.761154 0.306437 0.632343 0.097 Uiso 0.112(4) 1 calc R U P O 2
C18_43 C 0.750(3) 0.377(2) 0.6079(17) 0.070(12) Uani 0.112(4) 1 d D U P O 2
H18A_43 H 0.762603 0.392590 0.629311 0.084 Uiso 0.112(4) 1 calc R U P O 2
H18B_43 H 0.796356 0.365265 0.593802 0.084 Uiso 0.112(4) 1 calc R U P O 2
C19_43 C 0.694(5) 0.4156(17) 0.5857(19) 0.062(12) Uani 0.112(4) 1 d D U P O 2
H19A_43 H 0.717814 0.442494 0.576797 0.075 Uiso 0.112(4) 1 calc R U P O 2
H19B_43 H 0.650752 0.431025 0.600818 0.075 Uiso 0.112(4) 1 calc R U P O 2
C20_43 C 0.667(4) 0.3925(18) 0.5538(14) 0.056(11) Uani 0.112(4) 1 d D U P O 2
H20A_43 H 0.627380 0.418213 0.541096 0.067 Uiso 0.112(4) 1 calc R U P O 2
H20B_43 H 0.709053 0.381231 0.536934 0.067 Uiso 0.112(4) 1 calc R U P O 2
C21_43 C 0.4896(11) 0.3530(11) 0.5325(9) 0.040(7) Uani 0.112(4) 1 d D U P O 2
H21_43 H 0.467195 0.342442 0.511094 0.049 Uiso 0.112(4) 1 calc R U P O 2
C22_43 C 0.4537(16) 0.3328(13) 0.5651(11) 0.042(9) Uani 0.112(4) 1 d D U P O 2
H22A_43 H 0.473470 0.342766 0.587190 0.050 Uiso 0.112(4) 1 calc R U P O 2
H22B_43 H 0.466501 0.295646 0.565400 0.050 Uiso 0.112(4) 1 calc R U P O 2
C23_43 C 0.3684(15) 0.3532(15) 0.5642(14) 0.057(11) Uani 0.112(4) 1 d D U P O 2
H23A_43 H 0.348119 0.339722 0.543701 0.068 Uiso 0.112(4) 1 calc R U P O 2
H23B_43 H 0.346357 0.341707 0.586407 0.068 Uiso 0.112(4) 1 calc R U P O 2
C24_43 C 0.3466(18) 0.4099(15) 0.5609(15) 0.058(11) Uani 0.112(4) 1 d D U P O 2
H24A_43 H 0.291610 0.421600 0.558256 0.070 Uiso 0.112(4) 1 calc R U P O 2
H24B_43 H 0.360325 0.423123 0.583160 0.070 Uiso 0.112(4) 1 calc R U P O 2
C25_43 C 0.384(2) 0.4309(16) 0.5295(17) 0.058(12) Uani 0.112(4) 1 d D U P O 2
H25A_43 H 0.371205 0.467997 0.530098 0.069 Uiso 0.112(4) 1 calc R U P O 2
H25B_43 H 0.364016 0.422218 0.506959 0.069 Uiso 0.112(4) 1 calc R U P O 2
C26_43 C 0.4690(18) 0.4103(11) 0.5302(13) 0.044(9) Uani 0.112(4) 1 d D U P O 2
H26A_43 H 0.491177 0.422372 0.508265 0.053 Uiso 0.112(4) 1 calc R U P O 2
H26B_43 H 0.489588 0.422821 0.551078 0.053 Uiso 0.112(4) 1 calc R U P O 2
P1_44 P 0.6432(9) 0.1535(7) 0.6189(4) 0.031(4) Uani 0.091(4) 1 d D U P N 2
P2_44 P 0.7019(11) 0.0895(8) 0.5467(5) 0.036(5) Uani 0.091(4) 1 d D U P N 2
C1_44 C 0.7288(15) 0.1391(12) 0.6452(8) 0.034(5) Uani 0.091(4) 1 d D U P N 2
H1_44 H 0.769008 0.124090 0.627803 0.041 Uiso 0.091(4) 1 calc R U P N 2
C2_44 C 0.736(2) 0.0994(14) 0.6755(11) 0.039(5) Uani 0.091(4) 1 d D U P N 2
H2A_44 H 0.729347 0.068032 0.666136 0.046 Uiso 0.091(4) 1 calc R U P N 2
H2B_44 H 0.697105 0.110939 0.693698 0.046 Uiso 0.091(4) 1 calc R U P N 2
C3_44 C 0.814(3) 0.0890(15) 0.6929(12) 0.044(5) Uani 0.091(4) 1 d D U P N 2
H3A_44 H 0.817112 0.063289 0.712745 0.053 Uiso 0.091(4) 1 calc R U P N 2
H3B_44 H 0.852902 0.075537 0.675060 0.053 Uiso 0.091(4) 1 calc R U P N 2
C4_44 C 0.827(3) 0.1362(19) 0.7073(15) 0.046(5) Uani 0.091(4) 1 d D U P N 2
H4A_44 H 0.876028 0.140757 0.697977 0.055 Uiso 0.091(4) 1 calc R U P N 2
H4B_44 H 0.830641 0.132416 0.733691 0.055 Uiso 0.091(4) 1 calc R U P N 2
C5_44 C 0.766(3) 0.1824(16) 0.6968(11) 0.046(5) Uani 0.091(4) 1 d D U P N 2
H5A_44 H 0.781155 0.212789 0.703281 0.055 Uiso 0.091(4) 1 calc R U P N 2
H5B_44 H 0.719788 0.181308 0.710261 0.055 Uiso 0.091(4) 1 calc R U P N 2
C6_44 C 0.750(3) 0.1857(14) 0.6567(11) 0.037(4) Uani 0.091(4) 1 d D U P N 2
H6A_44 H 0.709134 0.215708 0.650876 0.045 Uiso 0.091(4) 1 calc R U P N 2
H6B_44 H 0.795421 0.189459 0.643230 0.045 Uiso 0.091(4) 1 calc R U P N 2
C7_44 C 0.5666(14) 0.1942(12) 0.6429(8) 0.042(5) Uani 0.091(4) 1 d D U P N 2
H7_44 H 0.587438 0.221842 0.651119 0.050 Uiso 0.091(4) 1 calc R U P N 2
C8_44 C 0.540(2) 0.1709(18) 0.6767(10) 0.049(5) Uani 0.091(4) 1 d D U P N 2
H8A_44 H 0.582917 0.156595 0.692605 0.059 Uiso 0.091(4) 1 calc R U P N 2
H8B_44 H 0.517831 0.143273 0.670375 0.059 Uiso 0.091(4) 1 calc R U P N 2
C9_44 C 0.481(3) 0.210(2) 0.6965(9) 0.055(6) Uani 0.091(4) 1 d D U P N 2
H9A_44 H 0.461460 0.192893 0.717101 0.066 Uiso 0.091(4) 1 calc R U P N 2
H9B_44 H 0.505298 0.234727 0.706000 0.066 Uiso 0.091(4) 1 calc R U P N 2
C10_44 C 0.4172(19) 0.237(2) 0.6724(13) 0.060(6) Uani 0.091(4) 1 d D U P N 2
H10A_44 H 0.382958 0.263311 0.685665 0.072 Uiso 0.091(4) 1 calc R U P N 2
H10B_44 H 0.388762 0.212420 0.665830 0.072 Uiso 0.091(4) 1 calc R U P N 2
C11_44 C 0.444(2) 0.260(2) 0.6387(13) 0.060(6) Uani 0.091(4) 1 d D U P N 2
H11A_44 H 0.467050 0.286821 0.644987 0.072 Uiso 0.091(4) 1 calc R U P N 2
H11B_44 H 0.400769 0.274593 0.622982 0.072 Uiso 0.091(4) 1 calc R U P N 2
C12_44 C 0.501(2) 0.220(2) 0.6185(8) 0.050(7) Uani 0.091(4) 1 d D U P N 2
H12A_44 H 0.477021 0.194834 0.609956 0.060 Uiso 0.091(4) 1 calc R U P N 2
H12B_44 H 0.520483 0.236416 0.597439 0.060 Uiso 0.091(4) 1 calc R U P N 2
C13_44 C 0.6161(19) 0.0960(12) 0.6101(10) 0.032(5) Uani 0.091(4) 1 d D U P N 2
H13A_44 H 0.609009 0.078577 0.633195 0.038 Uiso 0.091(4) 1 calc R U P N 2
H13B_44 H 0.567547 0.104994 0.597507 0.038 Uiso 0.091(4) 1 calc R U P N 2
C14_44 C 0.673(2) 0.0605(10) 0.5879(8) 0.035(5) Uani 0.091(4) 1 d D U P N 2
H14A_44 H 0.651537 0.032615 0.581494 0.042 Uiso 0.091(4) 1 calc R U P N 2
H14B_44 H 0.717825 0.045920 0.602613 0.042 Uiso 0.091(4) 1 calc R U P N 2
C15_44 C 0.7976(14) 0.0521(14) 0.5382(11) 0.043(9) Uani 0.091(4) 1 d D U P N 2
H15_44 H 0.815243 0.067282 0.515853 0.052 Uiso 0.091(4) 1 calc R U P N 2
C16_44 C 0.852(2) 0.056(2) 0.5676(17) 0.044(11) Uani 0.091(4) 1 d D U P N 2
H16A_44 H 0.835956 0.041607 0.590472 0.053 Uiso 0.091(4) 1 calc R U P N 2
H16B_44 H 0.849697 0.091567 0.570747 0.053 Uiso 0.091(4) 1 calc R U P N 2
C17_44 C 0.9318(17) 0.028(2) 0.559(2) 0.046(11) Uani 0.091(4) 1 d D U P N 2
H17A_44 H 0.949770 0.044658 0.537530 0.056 Uiso 0.091(4) 1 calc R U P N 2
H17B_44 H 0.964759 0.028125 0.578931 0.056 Uiso 0.091(4) 1 calc R U P N 2
C18_44 C 0.936(2) -0.026(2) 0.550(2) 0.050(11) Uani 0.091(4) 1 d D U P N 2
H18A_44 H 0.925553 -0.044618 0.572455 0.060 Uiso 0.091(4) 1 calc R U P N 2
H18B_44 H 0.988133 -0.042466 0.542635 0.060 Uiso 0.091(4) 1 calc R U P N 2
C19_44 C 0.882(3) -0.030(2) 0.5215(19) 0.048(11) Uani 0.091(4) 1 d D U P N 2
H19A_44 H 0.884760 -0.066254 0.518530 0.058 Uiso 0.091(4) 1 calc R U P N 2
H19B_44 H 0.897474 -0.016208 0.498518 0.058 Uiso 0.091(4) 1 calc R U P N 2
C20_44 C 0.802(2) -0.0025(16) 0.5308(18) 0.051(11) Uani 0.091(4) 1 d D U P N 2
H20A_44 H 0.768652 -0.003730 0.510738 0.061 Uiso 0.091(4) 1 calc R U P N 2
H20B_44 H 0.784846 -0.019197 0.552234 0.061 Uiso 0.091(4) 1 calc R U P N 2
C21_44 C 0.638(2) 0.0859(16) 0.5110(8) 0.053(9) Uani 0.091(4) 1 d D U P N 2
H21_44 H 0.592151 0.113213 0.515967 0.063 Uiso 0.091(4) 1 calc R U P N 2
C22_44 C 0.664(3) 0.101(2) 0.4744(9) 0.059(12) Uani 0.091(4) 1 d D U P N 2
H22A_44 H 0.707740 0.075228 0.466615 0.071 Uiso 0.091(4) 1 calc R U P N 2
H22B_44 H 0.679751 0.133040 0.476029 0.071 Uiso 0.091(4) 1 calc R U P N 2
C23_44 C 0.601(4) 0.109(3) 0.4468(11) 0.070(14) Uani 0.091(4) 1 d D U P N 2
H23A_44 H 0.560492 0.138567 0.452852 0.083 Uiso 0.091(4) 1 calc R U P N 2
H23B_44 H 0.621146 0.116471 0.422848 0.083 Uiso 0.091(4) 1 calc R U P N 2
C24_44 C 0.571(4) 0.064(3) 0.4456(12) 0.077(14) Uani 0.091(4) 1 d D U P N 2
H24A_44 H 0.609587 0.035587 0.435959 0.092 Uiso 0.091(4) 1 calc R U P N 2
H24B_44 H 0.527492 0.071078 0.429137 0.092 Uiso 0.091(4) 1 calc R U P N 2
C25_44 C 0.546(4) 0.047(3) 0.4820(14) 0.072(12) Uani 0.091(4) 1 d D U P N 2
H25A_44 H 0.530824 0.015203 0.480115 0.086 Uiso 0.091(4) 1 calc R U P N 2
H25B_44 H 0.501634 0.072695 0.490076 0.086 Uiso 0.091(4) 1 calc R U P N 2
C26_44 C 0.608(4) 0.039(2) 0.5097(13) 0.067(13) Uani 0.091(4) 1 d D U P N 2
H26A_44 H 0.588590 0.031668 0.533573 0.081 Uiso 0.091(4) 1 calc R U P N 2
H26B_44 H 0.649582 0.010357 0.503492 0.081 Uiso 0.091(4) 1 calc R U P N 2
O1_45 O 0.0706(14) 0.2127(12) 1.0270(8) 0.045(4) Uani 0.292(7) 1 d D U P H 2
C1_45 C 0.0162(9) 0.2023(5) 1.0076(4) 0.043(2) Uani 0.292(7) 1 d D U P H 2
C2_45 C -0.0192(9) 0.1628(6) 1.0265(4) 0.054(3) Uani 0.292(7) 1 d D U P H 2
F1_45 F -0.0238(12) 0.1722(8) 1.0614(4) 0.068(4) Uani 0.292(7) 1 d D U P H 2
F2_45 F -0.0874(9) 0.1651(9) 1.0149(5) 0.070(4) Uani 0.292(7) 1 d D U P H 2
F3_45 F 0.0212(16) 0.1165(7) 1.0211(8) 0.075(5) Uani 0.292(7) 1 d D U P H 2
C3_45 C 0.0491(9) 0.1828(6) 0.9712(4) 0.056(3) Uani 0.292(7) 1 d D U P H 2
F4_45 F 0.0538(12) 0.2225(8) 0.9499(5) 0.056(4) Uani 0.292(7) 1 d D U P H 2
F5_45 F 0.1131(10) 0.1485(8) 0.9767(6) 0.071(5) Uani 0.292(7) 1 d D U P H 2
F6_45 F 0.0048(12) 0.1591(8) 0.9551(5) 0.071(4) Uani 0.292(7) 1 d D U P H 2
C4_45 C -0.0455(10) 0.2504(6) 0.9988(5) 0.055(3) Uani 0.292(7) 1 d D U P H 2
F7_45 F -0.0170(11) 0.2887(7) 0.9888(7) 0.057(4) Uani 0.292(7) 1 d D U P H 2
F8_45 F -0.0828(11) 0.2443(7) 0.9695(5) 0.060(4) Uani 0.292(7) 1 d D U P H 2
F9_45 F -0.0958(14) 0.2632(10) 1.0245(6) 0.073(5) Uani 0.292(7) 1 d D U P H 2
O1_46 O 0.3843(16) 0.4584(8) 1.0058(9) 0.052(4) Uani 0.313(7) 1 d D U P F 2
C1_46 C 0.3610(8) 0.4157(7) 1.0084(4) 0.053(3) Uani 0.313(7) 1 d D U P F 2
C2_46 C 0.3108(9) 0.4145(7) 1.0418(4) 0.059(3) Uani 0.313(7) 1 d D U P F 2
F1_46 F 0.3536(9) 0.4033(7) 1.0712(4) 0.061(4) Uani 0.313(7) 1 d D U P F 2
F2_46 F 0.2738(15) 0.3790(9) 1.0400(8) 0.075(6) Uani 0.313(7) 1 d D U P F 2
F3_46 F 0.2606(12) 0.4583(8) 1.0452(6) 0.075(5) Uani 0.313(7) 1 d D U P F 2
C3_46 C 0.3157(10) 0.4135(8) 0.9747(4) 0.066(3) Uani 0.313(7) 1 d D U P F 2
F4_46 F 0.3528(11) 0.4242(9) 0.9456(4) 0.081(5) Uani 0.313(7) 1 d D U P F 2
F5_46 F 0.2487(9) 0.4466(7) 0.9771(5) 0.081(4) Uani 0.313(7) 1 d D U P F 2
F6_46 F 0.305(2) 0.3682(9) 0.9700(11) 0.085(6) Uani 0.313(7) 1 d D U P F 2
C4_46 C 0.4282(9) 0.3693(6) 1.0108(4) 0.057(3) Uani 0.313(7) 1 d D U P F 2
F7_46 F 0.4644(11) 0.3596(7) 0.9799(4) 0.083(5) Uani 0.313(7) 1 d D U P F 2
F8_46 F 0.4059(18) 0.3276(9) 1.0202(9) 0.104(9) Uani 0.313(7) 1 d D U P F 2
F9_46 F 0.4756(11) 0.3739(8) 1.0360(5) 0.068(5) Uani 0.313(7) 1 d D U P F 2
O1_47 O 0.7250(5) 0.1795(4) 0.8774(3) 0.0373(19) Uani 0.531(6) 1 d D U P E 2
C1_47 C 0.7922(6) 0.1526(4) 0.8894(3) 0.0405(17) Uani 0.531(6) 1 d D U P E 2
C2_47 C 0.8367(6) 0.1895(5) 0.9018(3) 0.061(2) Uani 0.531(6) 1 d D U P E 2
F1_47 F 0.8664(7) 0.2101(5) 0.8740(3) 0.079(3) Uani 0.531(6) 1 d D U P E 2
F2_47 F 0.8940(6) 0.1650(4) 0.9226(3) 0.094(3) Uani 0.531(6) 1 d D U P E 2
F3_47 F 0.7915(7) 0.2243(4) 0.9219(3) 0.081(3) Uani 0.531(6) 1 d D U P E 2
C3_47 C 0.7811(7) 0.1168(5) 0.9212(3) 0.060(3) Uani 0.531(6) 1 d D U P E 2
F4_47 F 0.7266(8) 0.0943(5) 0.9136(3) 0.070(3) Uani 0.531(6) 1 d D U P E 2
F5_47 F 0.7588(7) 0.1428(4) 0.9504(2) 0.081(3) Uani 0.531(6) 1 d D U P E 2
F6_47 F 0.8428(7) 0.0800(5) 0.9268(4) 0.088(4) Uani 0.531(6) 1 d D U P E 2
C4_47 C 0.8380(6) 0.1218(4) 0.8595(3) 0.0472(19) Uani 0.531(6) 1 d D U P E 2
F7_47 F 0.8143(5) 0.0804(3) 0.8553(3) 0.061(2) Uani 0.531(6) 1 d D U P E 2
F8_47 F 0.9113(4) 0.1064(3) 0.8670(3) 0.059(2) Uani 0.531(6) 1 d D U P E 2
F9_47 F 0.8311(5) 0.1488(4) 0.8290(2) 0.065(2) Uani 0.531(6) 1 d D U P E 2
O1_48 O -0.0460(9) 0.4327(9) 0.4581(5) 0.061(4) Uani 0.482(8) 1 d D U P J 2
C1_48 C -0.1188(9) 0.4366(5) 0.4516(3) 0.065(2) Uani 0.482(8) 1 d D U P J 2
C2_48 C -0.1663(9) 0.4589(6) 0.4842(4) 0.093(3) Uani 0.482(8) 1 d D U P J 2
F1_48 F -0.1326(11) 0.4337(8) 0.5142(4) 0.127(6) Uani 0.482(8) 1 d D U P J 2
F2_48 F -0.2341(9) 0.4517(9) 0.4844(6) 0.105(5) Uani 0.482(8) 1 d D U P J 2
F3_48 F -0.1704(8) 0.5088(5) 0.4833(5) 0.103(4) Uani 0.482(8) 1 d D U P J 2
C3_48 C -0.1418(9) 0.4743(6) 0.4188(4) 0.087(3) Uani 0.482(8) 1 d D U P J 2
F4_48 F -0.1139(9) 0.4496(7) 0.3893(4) 0.111(4) Uani 0.482(8) 1 d D U P J 2
F5_48 F -0.1106(8) 0.5136(5) 0.4242(4) 0.087(4) Uani 0.482(8) 1 d D U P J 2
F6_48 F -0.2144(8) 0.4975(9) 0.4218(6) 0.112(5) Uani 0.482(8) 1 d D U P J 2
C4_48 C -0.1290(9) 0.3851(5) 0.4417(5) 0.090(3) Uani 0.482(8) 1 d D U P J 2
F7_48 F -0.0722(9) 0.3643(7) 0.4198(5) 0.114(5) Uani 0.482(8) 1 d D U P J 2
F8_48 F -0.1926(10) 0.3942(9) 0.4216(7) 0.138(6) Uani 0.482(8) 1 d D U P J 2
F9_48 F -0.1357(11) 0.3585(6) 0.4715(5) 0.125(5) Uani 0.482(8) 1 d D U P J 2
O1_49 O 0.1590(11) 0.1433(6) 1.0832(6) 0.054(4) Uani 0.335(7) 1 d D U P H 2
C1_49 C 0.1980(8) 0.0979(6) 1.0953(4) 0.055(2) Uani 0.335(7) 1 d D U P H 2
C2_49 C 0.2830(9) 0.0925(7) 1.0922(5) 0.067(3) Uani 0.335(7) 1 d D U P H 2
F1_49 F 0.3067(9) 0.0827(7) 1.0585(4) 0.074(4) Uani 0.335(7) 1 d D U P H 2
F2_49 F 0.3196(9) 0.0567(8) 1.1152(6) 0.079(5) Uani 0.335(7) 1 d D U P H 2
F3_49 F 0.3001(15) 0.1345(9) 1.1002(7) 0.064(4) Uani 0.335(7) 1 d D U P H 2
C3_49 C 0.1777(9) 0.0872(7) 1.1346(4) 0.072(3) Uani 0.335(7) 1 d D U P H 2
F4_49 F 0.1045(8) 0.1026(8) 1.1408(6) 0.095(5) Uani 0.335(7) 1 d D U P H 2
F5_49 F 0.2138(12) 0.1105(9) 1.1560(5) 0.105(5) Uani 0.335(7) 1 d D U P H 2
F6_49 F 0.1941(11) 0.0381(6) 1.1440(6) 0.099(5) Uani 0.335(7) 1 d D U P H 2
C4_49 C 0.1803(10) 0.0585(6) 1.0716(5) 0.077(3) Uani 0.335(7) 1 d D U P H 2
F7_49 F 0.1114(11) 0.0542(10) 1.0780(7) 0.098(6) Uani 0.335(7) 1 d D U P H 2
F8_49 F 0.2292(12) 0.0142(6) 1.0779(7) 0.113(6) Uani 0.335(7) 1 d D U P H 2
F9_49 F 0.1827(13) 0.0740(8) 1.0373(4) 0.108(5) Uani 0.335(7) 1 d D U P H 2
C1_28 C 0.9047(4) 0.0227(3) 1.10327(18) 0.0330(15) Uani 0.814(7) 1 d D U P R 1
H1_28 H 0.949386 -0.004881 1.110327 0.040 Uiso 0.814(7) 1 calc R U P R 1
C2_28 C 0.9260(5) 0.0496(3) 1.06977(18) 0.0415(17) Uani 0.814(7) 1 d D U P R 1
H2A_28 H 0.883827 0.078397 1.062654 0.050 Uiso 0.814(7) 1 calc R U P R 1
H2B_28 H 0.969733 0.062799 1.074761 0.050 Uiso 0.814(7) 1 calc R U P R 1
C3_28 C 0.9449(5) 0.0140(4) 1.0395(2) 0.053(2) Uani 0.814(7) 1 d D U P R 1
H3A_28 H 0.989786 -0.013098 1.045866 0.063 Uiso 0.814(7) 1 calc R U P R 1
H3B_28 H 0.956735 0.032483 1.017646 0.063 Uiso 0.814(7) 1 calc R U P R 1
C4_28 C 0.8801(6) -0.0090(4) 1.0318(2) 0.052(2) Uani 0.814(7) 1 d D U P R 1
H4A_28 H 0.836179 0.017745 1.023548 0.063 Uiso 0.814(7) 1 calc R U P R 1
H4B_28 H 0.894734 -0.032941 1.012546 0.063 Uiso 0.814(7) 1 calc R U P R 1
C5_28 C 0.8594(5) -0.0363(3) 1.0655(2) 0.0488(19) Uani 0.814(7) 1 d D U P R 1
H5A_28 H 0.815919 -0.049661 1.060509 0.059 Uiso 0.814(7) 1 calc R U P R 1
H5B_28 H 0.901922 -0.064985 1.072310 0.059 Uiso 0.814(7) 1 calc R U P R 1
C6_28 C 0.8404(4) -0.0017(3) 1.09646(18) 0.0366(15) Uani 0.814(7) 1 d D U P R 1
H6A_28 H 0.830961 -0.021083 1.118295 0.044 Uiso 0.814(7) 1 calc R U P R 1
H6B_28 H 0.794185 0.024819 1.090923 0.044 Uiso 0.814(7) 1 calc R U P R 1
C1_50 C 0.9236(3) 0.0274(2) 1.18117(16) 0.0317(12) Uani 1 1 d D U . S 1
H1_50 H 0.905644 0.048756 1.201914 0.038 Uiso 1 1 calc R U . S 1
C2_50 C 1.0095(3) 0.0140(2) 1.18171(18) 0.0384(13) Uani 1 1 d D U . S 1
H2A_50 H 1.029530 -0.007046 1.161373 0.046 Uiso 1 1 calc R U . S 1
H2B_50 H 1.027029 0.045129 1.178942 0.046 Uiso 1 1 calc R U . S 1
C3_50 C 1.0389(4) -0.0142(3) 1.2165(2) 0.0520(17) Uani 1 1 d D U . S 1
H3A_50 H 1.094281 -0.023705 1.215876 0.062 Uiso 1 1 calc R U . S 1
H3B_50 H 1.022747 0.008105 1.236659 0.062 Uiso 1 1 calc R U . S 1
C4_50 C 1.0105(4) -0.0609(3) 1.2228(2) 0.0540(18) Uani 1 1 d D U . S 1
H4A_50 H 1.028032 -0.077219 1.246356 0.065 Uiso 1 1 calc R U . S 1
H4B_50 H 1.031513 -0.084913 1.204195 0.065 Uiso 1 1 calc R U . S 1
C5_50 C 0.9249(4) -0.0487(3) 1.22175(18) 0.0441(15) Uani 1 1 d D U . S 1
H5A_50 H 0.908568 -0.080298 1.224190 0.053 Uiso 1 1 calc R U . S 1
H5B_50 H 0.903973 -0.028170 1.242207 0.053 Uiso 1 1 calc R U . S 1
C6_50 C 0.8950(3) -0.0205(2) 1.18723(16) 0.0337(12) Uani 1 1 d D U . S 1
H6A_50 H 0.839554 -0.011125 1.188074 0.040 Uiso 1 1 calc R U . S 1
H6B_50 H 0.910996 -0.042497 1.166968 0.040 Uiso 1 1 calc R U . S 1
C1_51 C 0.8075(5) 0.1964(3) 1.22034(18) 0.0436(18) Uani 0.835(8) 1 d D U P T 1
H1_51 H 0.765853 0.227694 1.219962 0.052 Uiso 0.835(8) 1 calc R U P T 1
C2_51 C 0.8781(5) 0.2108(4) 1.2333(2) 0.051(2) Uani 0.835(8) 1 d D U P T 1
H2A_51 H 0.891419 0.235735 1.216089 0.061 Uiso 0.835(8) 1 calc R U P T 1
H2B_51 H 0.920828 0.180665 1.234789 0.061 Uiso 0.835(8) 1 calc R U P T 1
C3_51 C 0.8619(6) 0.2333(3) 1.2708(2) 0.056(2) Uani 0.835(8) 1 d D U P T 1
H3A_51 H 0.907428 0.241518 1.279541 0.067 Uiso 0.835(8) 1 calc R U P T 1
H3B_51 H 0.821680 0.264745 1.268743 0.067 Uiso 0.835(8) 1 calc R U P T 1
C4_51 C 0.8387(6) 0.1973(4) 1.2971(2) 0.061(2) Uani 0.835(8) 1 d D U P T 1
H4A_51 H 0.826685 0.213001 1.320379 0.073 Uiso 0.835(8) 1 calc R U P T 1
H4B_51 H 0.880450 0.166914 1.300798 0.073 Uiso 0.835(8) 1 calc R U P T 1
C5_51 C 0.7699(5) 0.1823(4) 1.2835(2) 0.055(2) Uani 0.835(8) 1 d D U P T 1
H5A_51 H 0.756193 0.157674 1.300803 0.066 Uiso 0.835(8) 1 calc R U P T 1
H5B_51 H 0.727111 0.212323 1.281591 0.066 Uiso 0.835(8) 1 calc R U P T 1
C6_51 C 0.7854(5) 0.1596(3) 1.24714(18) 0.0456(17) Uani 0.835(8) 1 d D U P T 1
H6A_51 H 0.826260 0.128439 1.249242 0.055 Uiso 0.835(8) 1 calc R U P T 1
H6B_51 H 0.740073 0.150748 1.238740 0.055 Uiso 0.835(8) 1 calc R U P T 1
C1_52 C 0.7901(3) 0.2309(2) 1.14351(16) 0.0327(12) Uani 1 1 d D U . U 1
H1_52 H 0.804399 0.220106 1.118722 0.039 Uiso 1 1 calc R U . U 1
C2_52 C 0.8297(4) 0.2721(2) 1.1507(2) 0.0423(15) Uani 1 1 d D U . U 1
H2A_52 H 0.884566 0.258333 1.149274 0.051 Uiso 1 1 calc R U . U 1
H2B_52 H 0.816925 0.284028 1.175085 0.051 Uiso 1 1 calc R U . U 1
C3_52 C 0.8050(4) 0.3160(3) 1.1229(2) 0.0471(16) Uani 1 1 d D U . U 1
H3A_52 H 0.829611 0.342946 1.127927 0.056 Uiso 1 1 calc R U . U 1
H3B_52 H 0.820417 0.304453 1.098725 0.056 Uiso 1 1 calc R U . U 1
C4_52 C 0.7200(4) 0.3367(2) 1.1243(2) 0.0438(15) Uani 1 1 d D U . U 1
H4A_52 H 0.704875 0.349806 1.148182 0.053 Uiso 1 1 calc R U . U 1
H4B_52 H 0.704617 0.364750 1.106209 0.053 Uiso 1 1 calc R U . U 1
C5_52 C 0.6809(4) 0.2957(2) 1.1171(2) 0.0492(17) Uani 1 1 d D U . U 1
H5A_52 H 0.625987 0.309419 1.118653 0.059 Uiso 1 1 calc R U . U 1
H5B_52 H 0.693360 0.284148 1.092616 0.059 Uiso 1 1 calc R U . U 1
C6_52 C 0.7050(3) 0.2516(2) 1.1440(2) 0.0413(15) Uani 1 1 d D U . U 1
H6A_52 H 0.680806 0.224801 1.138332 0.050 Uiso 1 1 calc R U . U 1
H6B_52 H 0.688529 0.262571 1.168296 0.050 Uiso 1 1 calc R U . U 1
C1_53 C 0.8327(17) 0.1819(11) 1.2209(4) 0.053(5) Uani 0.165(8) 1 d D U P T 2
H1_53 H 0.869308 0.203086 1.221316 0.064 Uiso 0.165(8) 1 calc R U P T 2
C2_53 C 0.869(2) 0.1339(11) 1.2423(5) 0.058(5) Uani 0.165(8) 1 d D U P T 2
H2A_53 H 0.913728 0.115106 1.229634 0.069 Uiso 0.165(8) 1 calc R U P T 2
H2B_53 H 0.833050 0.112348 1.244990 0.069 Uiso 0.165(8) 1 calc R U P T 2
C3_53 C 0.890(2) 0.1467(16) 1.2793(7) 0.067(6) Uani 0.165(8) 1 d D U P T 2
H3A_53 H 0.912009 0.115343 1.293604 0.080 Uiso 0.165(8) 1 calc R U P T 2
H3B_53 H 0.928680 0.166069 1.276597 0.080 Uiso 0.165(8) 1 calc R U P T 2
C4_53 C 0.822(3) 0.1774(16) 1.2986(6) 0.066(6) Uani 0.165(8) 1 d D U P T 2
H4A_53 H 0.836764 0.186388 1.322109 0.079 Uiso 0.165(8) 1 calc R U P T 2
H4B_53 H 0.784829 0.157179 1.302771 0.079 Uiso 0.165(8) 1 calc R U P T 2
C5_53 C 0.786(3) 0.2254(13) 1.2762(7) 0.067(5) Uani 0.165(8) 1 d D U P T 2
H5A_53 H 0.822456 0.246166 1.272575 0.081 Uiso 0.165(8) 1 calc R U P T 2
H5B_53 H 0.741844 0.245168 1.288927 0.081 Uiso 0.165(8) 1 calc R U P T 2
C6_53 C 0.7624(17) 0.2114(13) 1.2398(5) 0.055(5) Uani 0.165(8) 1 d D U P T 2
H6A_53 H 0.725800 0.190762 1.243214 0.066 Uiso 0.165(8) 1 calc R U P T 2
H6B_53 H 0.738660 0.242192 1.225238 0.066 Uiso 0.165(8) 1 calc R U P T 2
C1_54 C 0.8829(12) 0.0207(10) 1.1033(5) 0.043(5) Uani 0.186(7) 1 d D U P R 2
H1_54 H 0.862817 -0.007806 1.113193 0.052 Uiso 0.186(7) 1 calc R U P R 2
C2_54 C 0.9613(12) -0.0027(12) 1.0893(6) 0.046(4) Uani 0.186(7) 1 d D U P R 2
H2A_54 H 0.991578 -0.021962 1.109294 0.055 Uiso 0.186(7) 1 calc R U P R 2
H2B_54 H 0.984655 0.024658 1.081243 0.055 Uiso 0.186(7) 1 calc R U P R 2
C3_54 C 0.9650(17) -0.0376(11) 1.0584(7) 0.053(5) Uani 0.186(7) 1 d D U P R 2
H3A_54 H 1.017167 -0.048120 1.049438 0.064 Uiso 0.186(7) 1 calc R U P R 2
H3B_54 H 0.949795 -0.068124 1.067160 0.064 Uiso 0.186(7) 1 calc R U P R 2
C4_54 C 0.9138(18) -0.0116(16) 1.0277(6) 0.054(5) Uani 0.186(7) 1 d D U P R 2
H4A_54 H 0.932693 0.016290 1.016672 0.064 Uiso 0.186(7) 1 calc R U P R 2
H4B_54 H 0.913629 -0.035848 1.009067 0.064 Uiso 0.186(7) 1 calc R U P R 2
C5_54 C 0.8346(16) 0.0086(14) 1.0418(8) 0.056(5) Uani 0.186(7) 1 d D U P R 2
H5A_54 H 0.814391 -0.019790 1.050917 0.067 Uiso 0.186(7) 1 calc R U P R 2
H5B_54 H 0.802130 0.026480 1.022017 0.067 Uiso 0.186(7) 1 calc R U P R 2
C6_54 C 0.8330(15) 0.0446(12) 1.0720(5) 0.048(5) Uani 0.186(7) 1 d D U P R 2
H6A_54 H 0.849273 0.074253 1.062176 0.058 Uiso 0.186(7) 1 calc R U P R 2
H6B_54 H 0.780876 0.056476 1.080723 0.058 Uiso 0.186(7) 1 calc R U P R 2
O1_55 O 0.0811(9) 0.2000(8) 1.0242(6) 0.045(3) Uani 0.308(6) 1 d D U P H 3
C1_55 C 0.0081(8) 0.2053(5) 1.0165(4) 0.046(2) Uani 0.308(6) 1 d D U P H 3
C2_55 C -0.0009(9) 0.1540(6) 1.0057(4) 0.059(3) Uani 0.308(6) 1 d D U P H 3
F1_55 F 0.0539(12) 0.1357(7) 0.9830(5) 0.087(4) Uani 0.308(6) 1 d D U P H 3
F2_55 F 0.0038(13) 0.1236(7) 1.0350(5) 0.077(4) Uani 0.308(6) 1 d D U P H 3
F3_55 F -0.0664(10) 0.1558(8) 0.9917(6) 0.087(4) Uani 0.308(6) 1 d D U P H 3
C3_55 C -0.0452(8) 0.2209(6) 1.0486(4) 0.057(3) Uani 0.308(6) 1 d D U P H 3
F4_55 F -0.0580(10) 0.2694(5) 1.0537(5) 0.077(4) Uani 0.308(6) 1 d D U P H 3
F5_55 F -0.0173(8) 0.1951(7) 1.0786(4) 0.067(4) Uani 0.308(6) 1 d D U P H 3
F6_55 F -0.1110(8) 0.2099(8) 1.0451(5) 0.075(4) Uani 0.308(6) 1 d D U P H 3
C4_55 C -0.0149(9) 0.2458(6) 0.9860(4) 0.055(3) Uani 0.308(6) 1 d D U P H 3
F7_55 F 0.0046(16) 0.2868(7) 0.9958(7) 0.065(5) Uani 0.308(6) 1 d D U P H 3
F8_55 F -0.0898(8) 0.2591(8) 0.9820(6) 0.076(4) Uani 0.308(6) 1 d D U P H 3
F9_55 F 0.0160(12) 0.2306(7) 0.9553(4) 0.071(4) Uani 0.308(6) 1 d D U P H 3
O1_56 O 0.550(2) 0.4561(17) 0.3320(6) 0.041(4) Uani 0.193(6) 1 d D U P A 3
C1_56 C 0.5515(10) 0.4495(7) 0.3680(7) 0.046(2) Uani 0.193(6) 1 d D U P A 3
C2_56 C 0.6324(11) 0.4232(7) 0.3789(6) 0.051(3) Uani 0.193(6) 1 d D U P A 3
F1_56 F 0.6505(12) 0.3747(7) 0.3716(7) 0.058(4) Uani 0.193(6) 1 d D U P A 3
F2_56 F 0.643(3) 0.4258(17) 0.4138(6) 0.057(6) Uani 0.193(6) 1 d D U P A 3
F3_56 F 0.6805(13) 0.4449(10) 0.3612(8) 0.060(5) Uani 0.193(6) 1 d D U P A 3
C3_56 C 0.5289(12) 0.5016(7) 0.3845(6) 0.053(3) Uani 0.193(6) 1 d D U P A 3
F4_56 F 0.4708(17) 0.5310(12) 0.3664(10) 0.055(6) Uani 0.193(6) 1 d D U P A 3
F5_56 F 0.5849(14) 0.5242(9) 0.3829(7) 0.064(4) Uani 0.193(6) 1 d D U P A 3
F6_56 F 0.508(2) 0.4988(14) 0.4189(7) 0.063(6) Uani 0.193(6) 1 d D U P A 3
C4_56 C 0.4973(11) 0.4179(8) 0.3808(6) 0.048(3) Uani 0.193(6) 1 d D U P A 3
F7_56 F 0.4271(10) 0.4469(10) 0.3821(6) 0.059(4) Uani 0.193(6) 1 d D U P A 3
F8_56 F 0.514(2) 0.3954(14) 0.4132(7) 0.048(6) Uani 0.193(6) 1 d D U P A 3
F9_56 F 0.4962(18) 0.3809(11) 0.3591(9) 0.059(5) Uani 0.193(6) 1 d D U P A 3
O1_57 O 0.3236(8) 0.0758(7) 0.6476(6) 0.056(3) Uani 0.301(7) 1 d D U P C 2
C1_57 C 0.3959(9) 0.0518(6) 0.6498(4) 0.067(3) Uani 0.301(7) 1 d D U P C 2
C2_57 C 0.4356(9) 0.0763(7) 0.6776(5) 0.075(3) Uani 0.301(7) 1 d D U P C 2
F1_57 F 0.4123(12) 0.1265(6) 0.6735(7) 0.096(5) Uani 0.301(7) 1 d D U P C 2
F2_57 F 0.5093(8) 0.0630(9) 0.6727(7) 0.101(6) Uani 0.301(7) 1 d D U P C 2
F3_57 F 0.418(2) 0.0639(13) 0.7109(5) 0.110(7) Uani 0.301(7) 1 d D U P C 2
C3_57 C 0.4048(10) -0.0032(6) 0.6630(5) 0.074(3) Uani 0.301(7) 1 d D U P C 2
F4_57 F 0.3861(15) -0.0314(9) 0.6387(7) 0.093(5) Uani 0.301(7) 1 d D U P C 2
F5_57 F 0.3577(13) -0.0054(11) 0.6909(6) 0.097(6) Uani 0.301(7) 1 d D U P C 2
F6_57 F 0.4740(10) -0.0239(9) 0.6737(8) 0.094(6) Uani 0.301(7) 1 d D U P C 2
C4_57 C 0.4347(10) 0.0562(7) 0.6133(4) 0.076(3) Uani 0.301(7) 1 d D U P C 2
F7_57 F 0.3953(12) 0.0483(10) 0.5856(5) 0.099(5) Uani 0.301(7) 1 d D U P C 2
F8_57 F 0.5015(10) 0.0248(8) 0.6115(6) 0.095(5) Uani 0.301(7) 1 d D U P C 2
F9_57 F 0.4415(11) 0.1041(7) 0.6089(6) 0.081(5) Uani 0.301(7) 1 d D U P C 2
O1_58 O 0.4109(6) 0.4858(5) 0.2804(5) 0.037(3) Uani 0.325(11) 1 d D U P A 2
C1_58 C 0.3366(8) 0.4910(6) 0.2827(4) 0.042(2) Uani 0.325(11) 1 d D U P A 2
C2_58 C 0.3199(11) 0.4389(7) 0.2843(6) 0.051(3) Uani 0.325(11) 1 d D U P A 2
F1_58 F 0.3282(13) 0.4199(9) 0.2520(5) 0.062(5) Uani 0.325(11) 1 d D U P A 2
F2_58 F 0.2499(11) 0.4413(13) 0.2957(9) 0.067(6) Uani 0.325(11) 1 d D U P A 2
F3_58 F 0.3659(12) 0.4047(9) 0.3059(6) 0.063(5) Uani 0.325(11) 1 d D U P A 2
C3_58 C 0.3058(10) 0.5192(7) 0.3166(4) 0.055(3) Uani 0.325(11) 1 d D U P A 2
F4_58 F 0.3357(12) 0.5581(8) 0.3203(7) 0.073(5) Uani 0.325(11) 1 d D U P A 2
F5_58 F 0.3215(11) 0.4887(7) 0.3460(4) 0.072(4) Uani 0.325(11) 1 d D U P A 2
F6_58 F 0.2310(9) 0.5368(8) 0.3154(5) 0.069(5) Uani 0.325(11) 1 d D U P A 2
C4_58 C 0.3002(8) 0.5228(7) 0.2493(4) 0.047(3) Uani 0.325(11) 1 d D U P A 2
F7_58 F 0.2980(10) 0.5710(6) 0.2535(7) 0.059(4) Uani 0.325(11) 1 d D U P A 2
F8_58 F 0.2306(8) 0.5194(8) 0.2436(5) 0.061(4) Uani 0.325(11) 1 d D U P A 2
F9_58 F 0.3395(9) 0.5080(6) 0.2199(3) 0.058(4) Uani 0.325(11) 1 d D U P A 2
O1_59 O 0.067(2) 0.3979(11) 0.5139(7) 0.091(5) Uani 0.247(7) 1 d D U P J 2
C1_59 C 0.0687(11) 0.3661(7) 0.5424(5) 0.093(3) Uani 0.247(7) 1 d D U P J 2
C2_59 C 0.0341(14) 0.3231(7) 0.5327(7) 0.109(4) Uani 0.247(7) 1 d D U P J 2
F1_59 F -0.0406(14) 0.3392(13) 0.5326(13) 0.136(8) Uani 0.247(7) 1 d D U P J 2
F2_59 F 0.051(2) 0.2845(10) 0.5567(9) 0.132(7) Uani 0.247(7) 1 d D U P J 2
F3_59 F 0.063(2) 0.3058(11) 0.5014(8) 0.146(7) Uani 0.247(7) 1 d D U P J 2
C3_59 C 0.1487(12) 0.3440(9) 0.5561(7) 0.100(4) Uani 0.247(7) 1 d D U P J 2
F4_59 F 0.180(2) 0.3800(11) 0.5650(10) 0.111(7) Uani 0.247(7) 1 d D U P J 2
F5_59 F 0.1912(17) 0.3151(12) 0.5319(9) 0.133(7) Uani 0.247(7) 1 d D U P J 2
F6_59 F 0.1491(18) 0.3147(11) 0.5859(8) 0.115(7) Uani 0.247(7) 1 d D U P J 2
C4_59 C 0.0208(13) 0.3935(8) 0.5732(6) 0.102(4) Uani 0.247(7) 1 d D U P J 2
F7_59 F 0.0556(18) 0.4230(11) 0.5890(8) 0.125(7) Uani 0.247(7) 1 d D U P J 2
F8_59 F 0.008(2) 0.3591(11) 0.5977(8) 0.136(7) Uani 0.247(7) 1 d D U P J 2
F9_59 F -0.0446(13) 0.4220(10) 0.5620(8) 0.112(6) Uani 0.247(7) 1 d D U P J 2
O1_60 O 0.213(2) 0.0267(13) 0.6537(9) 0.063(3) Uani 0.123(4) 1 d D U P C 2
C1_60 C 0.1798(12) -0.0018(9) 0.6356(6) 0.0671(19) Uani 0.123(4) 1 d D U P C 2
C2_60 C 0.1117(13) 0.0299(9) 0.6144(6) 0.067(2) Uani 0.123(4) 1 d D U P C 2
F1_60 F 0.0671(15) 0.0646(10) 0.6344(8) 0.049(3) Uani 0.123(4) 1 d D U P C 2
F2_60 F 0.073(2) -0.0023(12) 0.6041(10) 0.076(3) Uani 0.123(4) 1 d D U P C 2
F3_60 F 0.129(2) 0.0523(14) 0.5841(7) 0.074(4) Uani 0.123(4) 1 d D U P C 2
C3_60 C 0.2389(14) -0.0318(10) 0.6098(7) 0.072(3) Uani 0.123(4) 1 d D U P C 2
F4_60 F 0.3077(14) -0.0406(15) 0.6238(9) 0.075(4) Uani 0.123(4) 1 d D U P C 2
F5_60 F 0.237(2) -0.0065(14) 0.5782(7) 0.080(5) Uani 0.123(4) 1 d D U P C 2
F6_60 F 0.227(2) -0.0769(11) 0.6068(10) 0.077(4) Uani 0.123(4) 1 d D U P C 2
C4_60 C 0.1517(15) -0.0387(10) 0.6616(7) 0.069(2) Uani 0.123(4) 1 d D U P C 2
F7_60 F 0.206(2) -0.0686(14) 0.6817(10) 0.082(4) Uani 0.123(4) 1 d D U P C 2
F8_60 F 0.117(2) -0.0671(14) 0.6438(10) 0.082(4) Uani 0.123(4) 1 d D U P C 2
F9_60 F 0.101(2) -0.0123(14) 0.6840(9) 0.076(3) Uani 0.123(4) 1 d D U P C 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 C1 2.008(5) . ?
Ga1 P1_32 2.434(3) . ?
Ga1 P2_32 2.442(3) . ?
Ga1 Ga2 2.4583(9) . ?
Ga1 P2_36 2.47(3) . ?
Ga1 P1_36 2.54(3) . ?
Ga2 F1 1.850(4) . ?
Ga2 P1_31 2.4500(16) . ?
Ga2 P2_31 2.4628(16) . ?
Ga3 F4 1.950(4) . ?
Ga3 P1 2.4337(15) . ?
Ga3 Ga4 2.4541(10) . ?
Ga3 P2 2.4751(16) . ?
Ga4 C7 1.996(5) . ?
Ga4 P2_42 2.368(15) . ?
Ga4 P1_42 2.405(13) . ?
Ga4 P2_27 2.416(10) . ?
Ga4 P1_27 2.511(11) . ?
Ga5 F7 1.809(4) . ?
Ga5 P1_44 2.396(15) . ?
Ga5 P2_29 2.4287(18) . ?
Ga5 Ga6 2.4438(9) . ?
Ga5 P2_44 2.45(2) . ?
Ga5 P1_29 2.476(2) . ?
Ga6 C13 2.010(6) . ?
Ga6 P2_43 2.30(2) . ?
Ga6 P1_30 2.4122(17) . ?
Ga6 P2_30 2.456(2) . ?
Ga6 P1_43 2.662(15) . ?
P1 C1_28 1.821(7) . ?
P1 C1_50 1.829(6) . ?
P1 C19 1.841(7) . ?
P1 C1_54 1.872(15) . ?
P2 C1_53 1.818(15) . ?
P2 C20 1.830(7) . ?
P2 C1_52 1.845(6) . ?
P2 C1_51 1.865(7) . ?
Al1 O1_35 1.672(15) . ?
Al1 O1_55 1.679(17) . ?
Al1 O1_26 1.701(8) . ?
Al1 O1_12 1.706(8) . ?
Al1 O1_38 1.708(14) . ?
Al1 O1_18 1.709(8) . ?
Al1 O1_13 1.714(15) . ?
Al1 O1_49 1.722(16) . ?
Al1 O1_45 1.73(2) . ?
Al2 O1_56 1.69(3) . ?
Al2 O1_3 1.702(6) . ?
Al2 O1_2 1.719(5) . ?
Al2 O1_1 1.720(5) . ?
Al2 O1_14 1.722(11) . ?
Al2 O1_58 1.754(12) . ?
Al2 O1_37 1.822(16) . ?
Al3 O1_39 1.63(2) . ?
Al3 O1_22 1.708(5) . ?
Al3 O1_16 1.712(5) . ?
Al3 O1_11 1.714(5) . ?
Al3 O1_23 1.733(8) . ?
F3 C6 1.373(6) . ?
Al4 O1_34 1.629(14) . ?
Al4 O1_33 1.681(9) . ?
Al4 O1_7 1.711(5) . ?
Al4 O1_47 1.723(8) . ?
Al4 O1_9 1.732(9) . ?
Al4 O1_19 1.783(7) . ?
Al4 O1_8 1.818(13) . ?
Al5 O1_60 1.66(3) . ?
Al5 O1_24 1.679(7) . ?
Al5 O1_6 1.710(7) . ?
Al5 O1_4 1.713(5) . ?
Al5 O1_5 1.714(5) . ?
Al5 O1_57 1.831(16) . ?
Al6 O1_20 1.610(15) . ?
Al6 O1_59 1.63(2) . ?
Al6 O1_21 1.677(16) . ?
Al6 O1_48 1.681(15) . ?
Al6 O1_17 1.717(8) . ?
Al6 O1_41 1.742(16) . ?
Al6 F28 1.769(2) . ?
Al7 O1_10 1.691(15) . ?
Al7 O1_40 1.69(2) . ?
Al7 O1_25 1.700(5) . ?
Al7 O1_15 1.715(9) . ?
Al7 O1_46 1.73(2) . ?
Al7 F27 1.7658(18) . ?
F9 C18 1.371(8) . ?
F6 C12 1.358(7) . ?
F5 C8 1.375(7) . ?
F2 C2 1.372(6) . ?
F8 C14 1.370(7) . ?
F8 C12_44 1.90(4) . ?
C2 C3 1.378(7) . ?
C2 C1 1.382(7) . ?
C7 C8 1.370(7) . ?
C7 C12 1.385(7) . ?
C6 C5 1.378(7) . ?
C6 C1 1.390(7) . ?
C12 C11 1.384(8) . ?
C4 C5 1.383(8) . ?
C4 C3 1.394(8) . ?
C4 H4 0.9500 . ?
C13 C18 1.379(8) . ?
C13 C14 1.383(8) . ?
C9 C8 1.371(8) . ?
C9 C10 1.378(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(8) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C14 C15 1.379(8) . ?
C3 H3 0.9500 . ?
C5 H5 0.9500 . ?
C16 C17 1.393(9) . ?
C16 C15 1.399(9) . ?
C16 H16 0.9500 . ?
C18 C17 1.378(8) . ?
C19 C20 1.511(11) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C15 H15 0.9500 . ?
C17 H17 0.9500 . ?
O1_1 C1_1 1.353(7) . ?
C1_1 C2_1 1.542(8) . ?
C1_1 C3_1 1.551(7) . ?
C1_1 C4_1 1.552(8) . ?
C2_1 F1_1 1.336(7) . ?
C2_1 F3_1 1.341(8) . ?
C2_1 F2_1 1.343(7) . ?
C3_1 F4_1 1.329(7) . ?
C3_1 F5_1 1.329(7) . ?
C3_1 F6_1 1.337(7) . ?
C4_1 F8_1 1.334(8) . ?
C4_1 F9_1 1.335(7) . ?
C4_1 F7_1 1.338(8) . ?
O1_2 C1_2 1.349(7) . ?
C1_2 C3_2 1.549(8) . ?
C1_2 C2_2 1.551(8) . ?
C1_2 C4_2 1.552(8) . ?
C2_2 F1_2 1.322(8) . ?
C2_2 F2_2 1.331(8) . ?
C2_2 F3_2 1.346(8) . ?
C3_2 F5_2 1.317(7) . ?
C3_2 F6_2 1.337(8) . ?
C3_2 F4_2 1.351(8) . ?
C4_2 F7_2 1.328(8) . ?
C4_2 F8_2 1.332(8) . ?
C4_2 F9_2 1.349(8) . ?
O1_3 C1_3 1.348(8) . ?
C1_3 C2_3 1.539(9) . ?
C1_3 C4_3 1.548(9) . ?
C1_3 C3_3 1.552(9) . ?
C2_3 F3_3 1.320(9) . ?
C2_3 F2_3 1.344(9) . ?
C2_3 F1_3 1.344(9) . ?
C3_3 F4_3 1.330(9) . ?
C3_3 F5_3 1.335(10) . ?
C3_3 F6_3 1.341(10) . ?
C4_3 F7_3 1.329(10) . ?
C4_3 F9_3 1.336(10) . ?
C4_3 F8_3 1.347(9) . ?
O1_4 C1_4 1.335(7) . ?
C1_4 C4_4 1.533(9) . ?
C1_4 C3_4 1.533(9) . ?
C1_4 C2_4 1.569(9) . ?
C2_4 F2_4 1.304(9) . ?
C2_4 F3_4 1.329(9) . ?
C2_4 F1_4 1.362(9) . ?
C3_4 F6_4 1.326(8) . ?
C3_4 F4_4 1.350(9) . ?
C3_4 F5_4 1.355(9) . ?
C4_4 F8_4 1.336(9) . ?
C4_4 F7_4 1.356(9) . ?
C4_4 F9_4 1.366(8) . ?
O1_5 C1_5 1.333(7) . ?
C1_5 C2_5 1.540(8) . ?
C1_5 C3_5 1.555(8) . ?
C1_5 C4_5 1.557(8) . ?
C2_5 F1_5 1.317(8) . ?
C2_5 F2_5 1.347(8) . ?
C2_5 F3_5 1.351(8) . ?
C3_5 F6_5 1.321(8) . ?
C3_5 F4_5 1.330(8) . ?
C3_5 F5_5 1.331(8) . ?
C4_5 F9_5 1.331(8) . ?
C4_5 F7_5 1.335(7) . ?
C4_5 F8_5 1.341(7) . ?
O1_6 C1_6 1.339(9) . ?
C1_6 C2_6 1.534(9) . ?
C1_6 C4_6 1.544(9) . ?
C1_6 C3_6 1.544(10) . ?
C2_6 F3_6 1.309(9) . ?
C2_6 F1_6 1.333(9) . ?
C2_6 F2_6 1.351(10) . ?
C3_6 F4_6 1.294(9) . ?
C3_6 F6_6 1.324(10) . ?
C3_6 F5_6 1.337(9) . ?
C4_6 F8_6 1.314(9) . ?
C4_6 F7_6 1.330(9) . ?
C4_6 F9_6 1.339(9) . ?
O1_7 C1_7 1.337(7) . ?
C1_7 C4_7 1.539(8) . ?
C1_7 C2_7 1.549(8) . ?
C1_7 C3_7 1.561(8) . ?
C2_7 F3_7 1.319(7) . ?
C2_7 F2_7 1.338(8) . ?
C2_7 F1_7 1.342(8) . ?
C3_7 F5_7 1.331(7) . ?
C3_7 F4_7 1.335(7) . ?
C3_7 F6_7 1.337(7) . ?
C4_7 F8_7 1.328(9) . ?
C4_7 F9_7 1.333(8) . ?
C4_7 F7_7 1.335(9) . ?
O1_8 C1_8 1.340(11) . ?
C1_8 C3_8 1.547(11) . ?
C1_8 C2_8 1.554(11) . ?
C1_8 C4_8 1.555(11) . ?
C2_8 F2_8 1.321(11) . ?
C2_8 F3_8 1.323(11) . ?
C2_8 F1_8 1.339(11) . ?
C3_8 F4_8 1.318(11) . ?
C3_8 F5_8 1.331(12) . ?
C3_8 F6_8 1.348(12) . ?
C4_8 F7_8 1.319(11) . ?
C4_8 F8_8 1.332(11) . ?
C4_8 F9_8 1.332(12) . ?
O1_9 C1_9 1.347(11) . ?
C1_9 C2_9 1.542(11) . ?
C1_9 C4_9 1.551(12) . ?
C1_9 C3_9 1.558(11) . ?
C2_9 F3_9 1.327(12) . ?
C2_9 F2_9 1.351(11) . ?
C2_9 F1_9 1.360(12) . ?
C3_9 F6_9 1.330(12) . ?
C3_9 F4_9 1.338(12) . ?
C3_9 F5_9 1.345(12) . ?
C4_9 F8_9 1.334(12) . ?
C4_9 F7_9 1.345(12) . ?
C4_9 F9_9 1.347(12) . ?
O1_10 C1_10 1.348(10) . ?
C1_10 C2_10 1.540(10) . ?
C1_10 C3_10 1.544(10) . ?
C1_10 C4_10 1.547(10) . ?
C2_10 F2_10 1.326(11) . ?
C2_10 F3_10 1.331(10) . ?
C2_10 F1_10 1.341(11) . ?
C3_10 F4_10 1.312(11) . ?
C3_10 F6_10 1.346(11) . ?
C3_10 F5_10 1.346(11) . ?
C4_10 F9_10 1.320(11) . ?
C4_10 F8_10 1.333(11) . ?
C4_10 F7_10 1.341(11) . ?
O1_11 C1_11 1.343(7) . ?
C1_11 C2_11 1.523(10) . ?
C1_11 C4_11 1.534(10) . ?
C1_11 C3_11 1.559(10) . ?
C2_11 F3_11 1.335(10) . ?
C2_11 F2_11 1.341(9) . ?
C2_11 F1_11 1.378(11) . ?
C3_11 F4_11 1.319(10) . ?
C3_11 F6_11 1.343(10) . ?
C3_11 F5_11 1.379(11) . ?
C4_11 F9_11 1.323(11) . ?
C4_11 F8_11 1.347(10) . ?
C4_11 F7_11 1.371(11) . ?
O1_12 C1_12 1.345(10) . ?
C1_12 C4_12 1.526(10) . ?
C1_12 C2_12 1.537(10) . ?
C1_12 C3_12 1.564(11) . ?
C2_12 F2_12 1.319(11) . ?
C2_12 F3_12 1.335(11) . ?
C2_12 F1_12 1.369(11) . ?
C3_12 F5_12 1.307(10) . ?
C3_12 F4_12 1.321(11) . ?
C3_12 F6_12 1.359(11) . ?
C4_12 F7_12 1.309(10) . ?
C4_12 F8_12 1.330(9) . ?
C4_12 F9_12 1.363(10) . ?
O1_13 C1_13 1.343(11) . ?
C1_13 C4_13 1.536(11) . ?
C1_13 C2_13 1.541(12) . ?
C1_13 C3_13 1.549(11) . ?
C2_13 F3_13 1.325(13) . ?
C2_13 F2_13 1.328(12) . ?
C2_13 F1_13 1.332(12) . ?
C3_13 F6_13 1.323(12) . ?
C3_13 F5_13 1.331(12) . ?
C3_13 F4_13 1.345(12) . ?
C4_13 F8_13 1.324(12) . ?
C4_13 F7_13 1.331(12) . ?
C4_13 F9_13 1.335(13) . ?
O1_14 C1_14 1.356(10) . ?
C1_14 C4_14 1.537(10) . ?
C1_14 C3_14 1.551(10) . ?
C1_14 C2_14 1.557(10) . ?
C2_14 F2_14 1.333(10) . ?
C2_14 F3_14 1.339(10) . ?
C2_14 F1_14 1.345(11) . ?
C3_14 F5_14 1.321(10) . ?
C3_14 F6_14 1.325(10) . ?
C3_14 F4_14 1.332(11) . ?
C4_14 F9_14 1.327(11) . ?
C4_14 F7_14 1.332(10) . ?
C4_14 F8_14 1.339(10) . ?
O1_15 C1_15 1.357(9) . ?
C1_15 C4_15 1.540(9) . ?
C1_15 C3_15 1.543(10) . ?
C1_15 C2_15 1.544(10) . ?
C2_15 F3_15 1.325(10) . ?
C2_15 F2_15 1.340(10) . ?
C2_15 F1_15 1.347(10) . ?
C3_15 F4_15 1.313(10) . ?
C3_15 F6_15 1.325(10) . ?
C3_15 F5_15 1.342(10) . ?
C4_15 F9_15 1.326(10) . ?
C4_15 F8_15 1.338(10) . ?
C4_15 F7_15 1.340(10) . ?
O1_16 C1_16 1.314(8) . ?
C1_16 C3_16 1.511(10) . ?
C1_16 C4_16 1.559(11) . ?
C1_16 C2_16 1.567(11) . ?
C2_16 F2_16 1.307(11) . ?
C2_16 F1_16 1.344(11) . ?
C2_16 F3_16 1.363(12) . ?
C3_16 F6_16 1.312(10) . ?
C3_16 F5_16 1.342(11) . ?
C3_16 F4_16 1.381(11) . ?
C4_16 F9_16 1.293(11) . ?
C4_16 F8_16 1.376(11) . ?
C4_16 F7_16 1.387(11) . ?
O1_17 C1_17 1.354(9) . ?
C1_17 C3_17 1.526(11) . ?
C1_17 C2_17 1.533(11) . ?
C1_17 C4_17 1.538(11) . ?
C2_17 F2_17 1.333(11) . ?
C2_17 F3_17 1.340(12) . ?
C2_17 F1_17 1.362(12) . ?
C3_17 F4_17 1.295(11) . ?
C3_17 F6_17 1.335(10) . ?
C3_17 F5_17 1.363(11) . ?
C4_17 F7_17 1.317(11) . ?
C4_17 F8_17 1.341(11) . ?
C4_17 F9_17 1.349(11) . ?
O1_18 C1_18 1.349(10) . ?
C1_18 C2_18 1.534(11) . ?
C1_18 C3_18 1.538(10) . ?
C1_18 C4_18 1.551(11) . ?
C2_18 F1_18 1.322(11) . ?
C2_18 F3_18 1.335(12) . ?
C2_18 F2_18 1.345(11) . ?
C3_18 F6_18 1.328(10) . ?
C3_18 F4_18 1.333(11) . ?
C3_18 F5_18 1.348(11) . ?
C4_18 F8_18 1.314(10) . ?
C4_18 F7_18 1.330(12) . ?
C4_18 F9_18 1.340(10) . ?
O1_19 C1_19 1.343(9) . ?
C1_19 C3_19 1.536(10) . ?
C1_19 C4_19 1.548(10) . ?
C1_19 C2_19 1.558(10) . ?
C2_19 F1_19 1.326(10) . ?
C2_19 F3_19 1.328(10) . ?
C2_19 F2_19 1.334(10) . ?
C3_19 F6_19 1.334(10) . ?
C3_19 F5_19 1.337(11) . ?
C3_19 F4_19 1.353(11) . ?
C4_19 F8_19 1.327(10) . ?
C4_19 F9_19 1.332(10) . ?
C4_19 F7_19 1.350(11) . ?
O1_20 C1_20 1.328(12) . ?
C1_20 C3_20 1.529(12) . ?
C1_20 C4_20 1.543(12) . ?
C1_20 C2_20 1.553(12) . ?
C2_20 F2_20 1.326(13) . ?
C2_20 F3_20 1.334(13) . ?
C2_20 F1_20 1.354(13) . ?
C3_20 F4_20 1.332(13) . ?
C3_20 F5_20 1.342(13) . ?
C3_20 F6_20 1.347(13) . ?
C4_20 F8_20 1.324(13) . ?
C4_20 F9_20 1.358(13) . ?
C4_20 F7_20 1.373(13) . ?
O1_21 C1_21 1.335(12) . ?
C1_21 C3_21 1.540(12) . ?
C1_21 C2_21 1.543(12) . ?
C1_21 C4_21 1.547(12) . ?
C2_21 F2_21 1.318(12) . ?
C2_21 F1_21 1.328(12) . ?
C2_21 F3_21 1.344(13) . ?
C3_21 F5_21 1.315(12) . ?
C3_21 F6_21 1.338(12) . ?
C3_21 F4_21 1.370(12) . ?
C4_21 F7_21 1.325(13) . ?
C4_21 F9_21 1.343(13) . ?
C4_21 F8_21 1.366(13) . ?
O1_22 C1_22 1.343(7) . ?
C1_22 C3_22 1.523(9) . ?
C1_22 C2_22 1.550(9) . ?
C1_22 C4_22 1.558(9) . ?
C2_22 F2_22 1.314(8) . ?
C2_22 F3_22 1.323(9) . ?
C2_22 F1_22 1.379(10) . ?
C3_22 F4_22 1.312(9) . ?
C3_22 F5_22 1.343(10) . ?
C3_22 F6_22 1.366(10) . ?
C4_22 F8_22 1.327(10) . ?
C4_22 F7_22 1.342(10) . ?
C4_22 F9_22 1.346(10) . ?
O1_23 C1_23 1.342(9) . ?
C1_23 C3_23 1.531(10) . ?
C1_23 C2_23 1.546(10) . ?
C1_23 C4_23 1.549(10) . ?
C2_23 F3_23 1.302(10) . ?
C2_23 F1_23 1.332(10) . ?
C2_23 F2_23 1.351(10) . ?
C3_23 F5_23 1.340(11) . ?
C3_23 F4_23 1.347(11) . ?
C3_23 F6_23 1.360(11) . ?
C4_23 F8_23 1.307(10) . ?
C4_23 F9_23 1.324(10) . ?
C4_23 F7_23 1.348(10) . ?
O1_24 C1_24 1.337(9) . ?
C1_24 C3_24 1.534(10) . ?
C1_24 C2_24 1.543(10) . ?
C1_24 C4_24 1.544(10) . ?
C2_24 F3_24 1.329(10) . ?
C2_24 F2_24 1.329(10) . ?
C2_24 F1_24 1.342(11) . ?
C3_24 F4_24 1.330(10) . ?
C3_24 F6_24 1.340(10) . ?
C3_24 F5_24 1.351(11) . ?
C4_24 F7_24 1.314(11) . ?
C4_24 F8_24 1.327(10) . ?
C4_24 F9_24 1.339(11) . ?
O1_25 C1_25 1.355(7) . ?
C1_25 C4_25 1.540(8) . ?
C1_25 C2_25 1.540(8) . ?
C1_25 C3_25 1.555(8) . ?
C2_25 F3_25 1.324(8) . ?
C2_25 F1_25 1.340(8) . ?
C2_25 F2_25 1.346(8) . ?
C3_25 F6_25 1.319(8) . ?
C3_25 F4_25 1.321(8) . ?
C3_25 F5_25 1.339(8) . ?
C4_25 F8_25 1.327(7) . ?
C4_25 F7_25 1.335(8) . ?
C4_25 F9_25 1.337(8) . ?
O1_26 C1_26 1.343(10) . ?
C1_26 C3_26 1.533(11) . ?
C1_26 C2_26 1.542(11) . ?
C1_26 C4_26 1.545(11) . ?
C2_26 F3_26 1.320(12) . ?
C2_26 F2_26 1.326(12) . ?
C2_26 F1_26 1.335(12) . ?
C3_26 F6_26 1.318(12) . ?
C3_26 F5_26 1.326(12) . ?
C3_26 F4_26 1.329(12) . ?
C4_26 F9_26 1.312(11) . ?
C4_26 F8_26 1.314(10) . ?
C4_26 F7_26 1.320(12) . ?
P1_27 C1_27 1.829(9) . ?
P1_27 C13_27 1.840(10) . ?
P1_27 C7_27 1.846(10) . ?
P2_27 C15_27 1.828(8) . ?
P2_27 C21_27 1.832(9) . ?
P2_27 C14_27 1.846(10) . ?
C1_27 C2_27 1.489(11) . ?
C1_27 C6_27 1.501(11) . ?
C1_27 H1_27 1.0000 . ?
C2_27 C3_27 1.536(11) . ?
C2_27 H2A_27 0.9900 . ?
C2_27 H2B_27 0.9900 . ?
C3_27 C4_27 1.516(12) . ?
C3_27 H3A_27 0.9900 . ?
C3_27 H3B_27 0.9900 . ?
C4_27 C5_27 1.495(12) . ?
C4_27 H4A_27 0.9900 . ?
C4_27 H4B_27 0.9900 . ?
C5_27 C6_27 1.507(11) . ?
C5_27 H5A_27 0.9900 . ?
C5_27 H5B_27 0.9900 . ?
C6_27 H6A_27 0.9900 . ?
C6_27 H6B_27 0.9900 . ?
C7_27 C12_27 1.527(11) . ?
C7_27 C8_27 1.545(11) . ?
C7_27 H7_27 1.0000 . ?
C8_27 C9_27 1.523(11) . ?
C8_27 H8A_27 0.9900 . ?
C8_27 H8B_27 0.9900 . ?
C9_27 C10_27 1.524(11) . ?
C9_27 H9A_27 0.9900 . ?
C9_27 H9B_27 0.9900 . ?
C10_27 C11_27 1.513(11) . ?
C10_27 H10A_27 0.9900 . ?
C10_27 H10B_27 0.9900 . ?
C11_27 C12_27 1.540(11) . ?
C11_27 H11A_27 0.9900 . ?
C11_27 H11B_27 0.9900 . ?
C12_27 H12A_27 0.9900 . ?
C12_27 H12B_27 0.9900 . ?
C13_27 C14_27 1.527(11) . ?
C13_27 H13A_27 0.9900 . ?
C13_27 H13B_27 0.9900 . ?
C14_27 H14A_27 0.9900 . ?
C14_27 H14B_27 0.9900 . ?
C15_27 C16_27 1.540(10) . ?
C15_27 C20_27 1.543(11) . ?
C15_27 H15_27 1.0000 . ?
C16_27 C17_27 1.525(10) . ?
C16_27 H16A_27 0.9900 . ?
C16_27 H16B_27 0.9900 . ?
C17_27 C18_27 1.525(11) . ?
C17_27 H17A_27 0.9900 . ?
C17_27 H17B_27 0.9900 . ?
C18_27 C19_27 1.526(11) . ?
C18_27 H18A_27 0.9900 . ?
C18_27 H18B_27 0.9900 . ?
C19_27 C20_27 1.543(12) . ?
C19_27 H19A_27 0.9900 . ?
C19_27 H19B_27 0.9900 . ?
C20_27 H20A_27 0.9900 . ?
C20_27 H20B_27 0.9900 . ?
C21_27 C22_27 1.528(11) . ?
C21_27 C26_27 1.534(11) . ?
C21_27 H21_27 1.0000 . ?
C22_27 C23_27 1.531(11) . ?
C22_27 H22A_27 0.9900 . ?
C22_27 H22B_27 0.9900 . ?
C23_27 C24_27 1.524(11) . ?
C23_27 H23A_27 0.9900 . ?
C23_27 H23B_27 0.9900 . ?
C24_27 C25_27 1.512(11) . ?
C24_27 H24A_27 0.9900 . ?
C24_27 H24B_27 0.9900 . ?
C25_27 C26_27 1.526(11) . ?
C25_27 H25A_27 0.9900 . ?
C25_27 H25B_27 0.9900 . ?
C26_27 H26A_27 0.9900 . ?
C26_27 H26B_27 0.9900 . ?
P1_29 C1_29 1.838(6) . ?
P1_29 C13_29 1.840(6) . ?
P1_29 C7_29 1.842(5) . ?
P2_29 C14_29 1.832(6) . ?
P2_29 C21_29 1.838(5) . ?
P2_29 C15_29 1.847(5) . ?
C1_29 C6_29 1.522(8) . ?
C1_29 C2_29 1.523(8) . ?
C1_29 H1_29 1.0000 . ?
C2_29 C3_29 1.540(9) . ?
C2_29 H2A_29 0.9900 . ?
C2_29 H2B_29 0.9900 . ?
C3_29 C4_29 1.508(10) . ?
C3_29 H3A_29 0.9900 . ?
C3_29 H3B_29 0.9900 . ?
C4_29 C5_29 1.502(10) . ?
C4_29 H4A_29 0.9900 . ?
C4_29 H4B_29 0.9900 . ?
C5_29 C6_29 1.530(8) . ?
C5_29 H5A_29 0.9900 . ?
C5_29 H5B_29 0.9900 . ?
C6_29 H6A_29 0.9900 . ?
C6_29 H6B_29 0.9900 . ?
C7_29 C8_29 1.528(7) . ?
C7_29 C12_29 1.529(8) . ?
C7_29 H7_29 1.0000 . ?
C8_29 C9_29 1.541(8) . ?
C8_29 H8A_29 0.9900 . ?
C8_29 H8B_29 0.9900 . ?
C9_29 C10_29 1.513(9) . ?
C9_29 H9A_29 0.9900 . ?
C9_29 H9B_29 0.9900 . ?
C10_29 C11_29 1.516(8) . ?
C10_29 H10A_29 0.9900 . ?
C10_29 H10B_29 0.9900 . ?
C11_29 C12_29 1.536(7) . ?
C11_29 H11A_29 0.9900 . ?
C11_29 H11B_29 0.9900 . ?
C12_29 H12A_29 0.9900 . ?
C12_29 H12B_29 0.9900 . ?
C13_29 C14_29 1.535(8) . ?
C13_29 H13A_29 0.9900 . ?
C13_29 H13B_29 0.9900 . ?
C14_29 H14A_29 0.9900 . ?
C14_29 H14B_29 0.9900 . ?
C15_29 C20_29 1.525(8) . ?
C15_29 C16_29 1.526(8) . ?
C15_29 H15_29 1.0000 . ?
C16_29 C17_29 1.523(8) . ?
C16_29 H16A_29 0.9900 . ?
C16_29 H16B_29 0.9900 . ?
C17_29 C18_29 1.512(10) . ?
C17_29 H17A_29 0.9900 . ?
C17_29 H17B_29 0.9900 . ?
C18_29 C19_29 1.523(10) . ?
C18_29 H18A_29 0.9900 . ?
C18_29 H18B_29 0.9900 . ?
C19_29 C20_29 1.522(8) . ?
C19_29 H19A_29 0.9900 . ?
C19_29 H19B_29 0.9900 . ?
C20_29 H20A_29 0.9900 . ?
C20_29 H20B_29 0.9900 . ?
C21_29 C22_29 1.529(8) . ?
C21_29 C26_29 1.533(7) . ?
C21_29 H21_29 1.0000 . ?
C22_29 C23_29 1.537(8) . ?
C22_29 H22A_29 0.9900 . ?
C22_29 H22B_29 0.9900 . ?
C23_29 C24_29 1.525(8) . ?
C23_29 H23A_29 0.9900 . ?
C23_29 H23B_29 0.9900 . ?
C24_29 C25_29 1.518(9) . ?
C24_29 H24A_29 0.9900 . ?
C24_29 H24B_29 0.9900 . ?
C25_29 C26_29 1.526(8) . ?
C25_29 H25A_29 0.9900 . ?
C25_29 H25B_29 0.9900 . ?
C26_29 H26A_29 0.9900 . ?
C26_29 H26B_29 0.9900 . ?
P1_30 C1_30 1.836(5) . ?
P1_30 C13_30 1.841(6) . ?
P1_30 C7_30 1.848(5) . ?
P2_30 C21_30 1.830(6) . ?
P2_30 C15_30 1.843(6) . ?
P2_30 C14_30 1.845(7) . ?
C1_30 C2_30 1.520(7) . ?
C1_30 C6_30 1.527(7) . ?
C1_30 H1_30 1.0000 . ?
C2_30 C3_30 1.524(7) . ?
C2_30 H2A_30 0.9900 . ?
C2_30 H2B_30 0.9900 . ?
C3_30 C4_30 1.534(8) . ?
C3_30 H3A_30 0.9900 . ?
C3_30 H3B_30 0.9900 . ?
C4_30 C5_30 1.501(8) . ?
C4_30 H4A_30 0.9900 . ?
C4_30 H4B_30 0.9900 . ?
C5_30 C6_30 1.522(7) . ?
C5_30 H5A_30 0.9900 . ?
C5_30 H5B_30 0.9900 . ?
C6_30 H6A_30 0.9900 . ?
C6_30 H6B_30 0.9900 . ?
C7_30 C12_30 1.522(8) . ?
C7_30 C8_30 1.530(7) . ?
C7_30 H7_30 1.0000 . ?
C8_30 C9_30 1.529(9) . ?
C8_30 H8A_30 0.9900 . ?
C8_30 H8B_30 0.9900 . ?
C9_30 C10_30 1.508(10) . ?
C9_30 H9A_30 0.9900 . ?
C9_30 H9B_30 0.9900 . ?
C10_30 C11_30 1.509(9) . ?
C10_30 H10A_30 0.9900 . ?
C10_30 H10B_30 0.9900 . ?
C11_30 C12_30 1.536(8) . ?
C11_30 H11A_30 0.9900 . ?
C11_30 H11B_30 0.9900 . ?
C12_30 H12A_30 0.9900 . ?
C12_30 H12B_30 0.9900 . ?
C13_30 C14_30 1.515(8) . ?
C13_30 H13A_30 0.9900 . ?
C13_30 H13B_30 0.9900 . ?
C14_30 H14A_30 0.9900 . ?
C14_30 H14B_30 0.9900 . ?
C15_30 C16_30 1.533(8) . ?
C15_30 C20_30 1.540(8) . ?
C15_30 H15_30 1.0000 . ?
C16_30 C17_30 1.533(8) . ?
C16_30 H16A_30 0.9900 . ?
C16_30 H16B_30 0.9900 . ?
C17_30 C18_30 1.528(9) . ?
C17_30 H17A_30 0.9900 . ?
C17_30 H17B_30 0.9900 . ?
C18_30 C19_30 1.516(9) . ?
C18_30 H18A_30 0.9900 . ?
C18_30 H18B_30 0.9900 . ?
C19_30 C20_30 1.533(8) . ?
C19_30 H19A_30 0.9900 . ?
C19_30 H19B_30 0.9900 . ?
C20_30 H20A_30 0.9900 . ?
C20_30 H20B_30 0.9900 . ?
C21_30 C22_30 1.521(8) . ?
C21_30 C26_30 1.532(8) . ?
C21_30 H21_30 1.0000 . ?
C22_30 C23_30 1.538(9) . ?
C22_30 H22A_30 0.9900 . ?
C22_30 H22B_30 0.9900 . ?
C23_30 C24_30 1.522(11) . ?
C23_30 H23A_30 0.9900 . ?
C23_30 H23B_30 0.9900 . ?
C24_30 C25_30 1.504(10) . ?
C24_30 H24A_30 0.9900 . ?
C24_30 H24B_30 0.9900 . ?
C25_30 C26_30 1.549(9) . ?
C25_30 H25A_30 0.9900 . ?
C25_30 H25B_30 0.9900 . ?
C26_30 H26A_30 0.9900 . ?
C26_30 H26B_30 0.9900 . ?
P1_31 C1_31 1.834(5) . ?
P1_31 C7_31 1.836(5) . ?
P1_31 C13_31 1.856(6) . ?
P2_31 C14_31 1.835(6) . ?
P2_31 C21_31 1.840(5) . ?
P2_31 C15_31 1.847(5) . ?
C1_31 C6_31 1.517(8) . ?
C1_31 C2_31 1.518(8) . ?
C1_31 H1_31 1.0000 . ?
C2_31 C3_31 1.542(8) . ?
C2_31 H2A_31 0.9900 . ?
C2_31 H2B_31 0.9900 . ?
C3_31 C4_31 1.515(9) . ?
C3_31 H3A_31 0.9900 . ?
C3_31 H3B_31 0.9900 . ?
C4_31 C5_31 1.504(9) . ?
C4_31 H4A_31 0.9900 . ?
C4_31 H4B_31 0.9900 . ?
C5_31 C6_31 1.548(8) . ?
C5_31 H5A_31 0.9900 . ?
C5_31 H5B_31 0.9900 . ?
C6_31 H6A_31 0.9900 . ?
C6_31 H6B_31 0.9900 . ?
C7_31 C12_31 1.514(7) . ?
C7_31 C8_31 1.532(7) . ?
C7_31 H7_31 1.0000 . ?
C8_31 C9_31 1.527(8) . ?
C8_31 H8A_31 0.9900 . ?
C8_31 H8B_31 0.9900 . ?
C9_31 C10_31 1.525(8) . ?
C9_31 H9A_31 0.9900 . ?
C9_31 H9B_31 0.9900 . ?
C10_31 C11_31 1.510(8) . ?
C10_31 H10A_31 0.9900 . ?
C10_31 H10B_31 0.9900 . ?
C11_31 C12_31 1.545(8) . ?
C11_31 H11A_31 0.9900 . ?
C11_31 H11B_31 0.9900 . ?
C12_31 H12A_31 0.9900 . ?
C12_31 H12B_31 0.9900 . ?
C13_31 C14_31 1.516(8) . ?
C13_31 H13A_31 0.9900 . ?
C13_31 H13B_31 0.9900 . ?
C14_31 H14A_31 0.9900 . ?
C14_31 H14B_31 0.9900 . ?
C15_31 C20_31 1.521(8) . ?
C15_31 C16_31 1.532(8) . ?
C15_31 H15_31 1.0000 . ?
C16_31 C17_31 1.529(8) . ?
C16_31 H16A_31 0.9900 . ?
C16_31 H16B_31 0.9900 . ?
C17_31 C18_31 1.511(9) . ?
C17_31 H17A_31 0.9900 . ?
C17_31 H17B_31 0.9900 . ?
C18_31 C19_31 1.519(9) . ?
C18_31 H18A_31 0.9900 . ?
C18_31 H18B_31 0.9900 . ?
C19_31 C20_31 1.533(8) . ?
C19_31 H19A_31 0.9900 . ?
C19_31 H19B_31 0.9900 . ?
C20_31 H20A_31 0.9900 . ?
C20_31 H20B_31 0.9900 . ?
C21_31 C26_31 1.531(7) . ?
C21_31 C22_31 1.538(7) . ?
C21_31 H21_31 1.0000 . ?
C22_31 C23_31 1.533(7) . ?
C22_31 H22A_31 0.9900 . ?
C22_31 H22B_31 0.9900 . ?
C23_31 C24_31 1.512(8) . ?
C23_31 H23A_31 0.9900 . ?
C23_31 H23B_31 0.9900 . ?
C24_31 C25_31 1.511(9) . ?
C24_31 H24A_31 0.9900 . ?
C24_31 H24B_31 0.9900 . ?
C25_31 C26_31 1.532(8) . ?
C25_31 H25A_31 0.9900 . ?
C25_31 H25B_31 0.9900 . ?
C26_31 H26A_31 0.9900 . ?
C26_31 H26B_31 0.9900 . ?
P1_32 C13_32 1.824(7) . ?
P1_32 C1_32 1.843(6) . ?
P1_32 C7_32 1.849(5) . ?
P2_32 C14_32 1.828(7) . ?
P2_32 C15_32 1.842(7) . ?
P2_32 C21_32 1.845(6) . ?
C1_32 C6_32 1.530(8) . ?
C1_32 C2_32 1.538(8) . ?
C1_32 H1_32 1.0000 . ?
C2_32 C3_32 1.539(9) . ?
C2_32 H2A_32 0.9900 . ?
C2_32 H2B_32 0.9900 . ?
C3_32 C4_32 1.490(10) . ?
C3_32 H3A_32 0.9900 . ?
C3_32 H3B_32 0.9900 . ?
C4_32 C5_32 1.509(9) . ?
C4_32 H4A_32 0.9900 . ?
C4_32 H4B_32 0.9900 . ?
C5_32 C6_32 1.540(8) . ?
C5_32 H5A_32 0.9900 . ?
C5_32 H5B_32 0.9900 . ?
C6_32 H6A_32 0.9900 . ?
C6_32 H6B_32 0.9900 . ?
C7_32 C8_32 1.525(7) . ?
C7_32 C12_32 1.536(7) . ?
C7_32 H7_32 1.0000 . ?
C8_32 C9_32 1.526(8) . ?
C8_32 H8A_32 0.9900 . ?
C8_32 H8B_32 0.9900 . ?
C9_32 C10_32 1.509(8) . ?
C9_32 H9A_32 0.9900 . ?
C9_32 H9B_32 0.9900 . ?
C10_32 C11_32 1.518(9) . ?
C10_32 H10A_32 0.9900 . ?
C10_32 H10B_32 0.9900 . ?
C11_32 C12_32 1.526(9) . ?
C11_32 H11A_32 0.9900 . ?
C11_32 H11B_32 0.9900 . ?
C12_32 H12A_32 0.9900 . ?
C12_32 H12B_32 0.9900 . ?
C13_32 C14_32 1.420(9) . ?
C13_32 H13A_32 0.9900 . ?
C13_32 H13B_32 0.9900 . ?
C14_32 H14A_32 0.9900 . ?
C14_32 H14B_32 0.9900 . ?
C15_32 C16_32 1.525(9) . ?
C15_32 C20_32 1.534(8) . ?
C15_32 H15_32 1.0000 . ?
C16_32 C17_32 1.539(8) . ?
C16_32 H16A_32 0.9900 . ?
C16_32 H16B_32 0.9900 . ?
C17_32 C18_32 1.514(9) . ?
C17_32 H17A_32 0.9900 . ?
C17_32 H17B_32 0.9900 . ?
C18_32 C19_32 1.510(11) . ?
C18_32 H18A_32 0.9900 . ?
C18_32 H18B_32 0.9900 . ?
C19_32 C20_32 1.537(9) . ?
C19_32 H19A_32 0.9900 . ?
C19_32 H19B_32 0.9900 . ?
C20_32 H20A_32 0.9900 . ?
C20_32 H20B_32 0.9900 . ?
C21_32 C22_32 1.527(8) . ?
C21_32 C26_32 1.535(8) . ?
C21_32 H21_32 1.0000 . ?
C22_32 C23_32 1.526(8) . ?
C22_32 H22A_32 0.9900 . ?
C22_32 H22B_32 0.9900 . ?
C23_32 C24_32 1.516(9) . ?
C23_32 H23A_32 0.9900 . ?
C23_32 H23B_32 0.9900 . ?
C24_32 C25_32 1.514(10) . ?
C24_32 H24A_32 0.9900 . ?
C24_32 H24B_32 0.9900 . ?
C25_32 C26_32 1.534(9) . ?
C25_32 H25A_32 0.9900 . ?
C25_32 H25B_32 0.9900 . ?
C26_32 H26A_32 0.9900 . ?
C26_32 H26B_32 0.9900 . ?
O1_33 C1_33 1.348(11) . ?
C1_33 C4_33 1.533(11) . ?
C1_33 C3_33 1.542(11) . ?
C1_33 C2_33 1.550(11) . ?
C2_33 F1_33 1.322(12) . ?
C2_33 F2_33 1.339(12) . ?
C2_33 F3_33 1.339(12) . ?
C3_33 F5_33 1.330(11) . ?
C3_33 F4_33 1.332(11) . ?
C3_33 F6_33 1.357(12) . ?
C4_33 F9_33 1.314(12) . ?
C4_33 F8_33 1.341(12) . ?
C4_33 F7_33 1.352(12) . ?
F9_33 F7_34 1.764(17) . ?
O1_34 C1_34 1.342(11) . ?
C1_34 C3_34 1.547(11) . ?
C1_34 C2_34 1.548(11) . ?
C1_34 C4_34 1.558(11) . ?
C2_34 F3_34 1.330(12) . ?
C2_34 F2_34 1.340(11) . ?
C2_34 F1_34 1.342(12) . ?
C3_34 F4_34 1.330(12) . ?
C3_34 F5_34 1.341(12) . ?
C3_34 F6_34 1.343(12) . ?
C4_34 F9_34 1.327(11) . ?
C4_34 F8_34 1.331(11) . ?
C4_34 F7_34 1.339(11) . ?
O1_35 C1_35 1.345(13) . ?
C1_35 C4_35 1.539(12) . ?
C1_35 C3_35 1.541(12) . ?
C1_35 C2_35 1.544(12) . ?
C2_35 F2_35 1.325(13) . ?
C2_35 F3_35 1.332(13) . ?
C2_35 F1_35 1.343(13) . ?
C3_35 F6_35 1.324(13) . ?
C3_35 F5_35 1.334(13) . ?
C3_35 F4_35 1.335(13) . ?
C4_35 F8_35 1.322(13) . ?
C4_35 F7_35 1.331(13) . ?
C4_35 F9_35 1.337(13) . ?
P1_36 C1_36 1.815(14) . ?
P1_36 C13_36 1.839(15) . ?
P1_36 C7_36 1.860(14) . ?
P2_36 C15_36 1.810(13) . ?
P2_36 C21_36 1.829(13) . ?
P2_36 C14_36 1.837(15) . ?
C1_36 C6_36 1.510(15) . ?
C1_36 C2_36 1.512(15) . ?
C1_36 H1_36 1.0000 . ?
C2_36 C3_36 1.535(15) . ?
C2_36 H2A_36 0.9900 . ?
C2_36 H2B_36 0.9900 . ?
C3_36 C4_36 1.510(15) . ?
C3_36 H3A_36 0.9900 . ?
C3_36 H3B_36 0.9900 . ?
C4_36 C5_36 1.504(15) . ?
C4_36 H4A_36 0.9900 . ?
C4_36 H4B_36 0.9900 . ?
C5_36 C6_36 1.532(15) . ?
C5_36 H5A_36 0.9900 . ?
C5_36 H5B_36 0.9900 . ?
C6_36 H6A_36 0.9900 . ?
C6_36 H6B_36 0.9900 . ?
C7_36 C12_36 1.521(15) . ?
C7_36 C8_36 1.535(15) . ?
C7_36 H7_36 1.0000 . ?
C8_36 C9_36 1.526(15) . ?
C8_36 H8A_36 0.9900 . ?
C8_36 H8B_36 0.9900 . ?
C9_36 C10_36 1.510(15) . ?
C9_36 H9A_36 0.9900 . ?
C9_36 H9B_36 0.9900 . ?
C10_36 C11_36 1.515(15) . ?
C10_36 H10A_36 0.9900 . ?
C10_36 H10B_36 0.9900 . ?
C11_36 C12_36 1.538(15) . ?
C11_36 H11A_36 0.9900 . ?
C11_36 H11B_36 0.9900 . ?
C12_36 H12A_36 0.9900 . ?
C12_36 H12B_36 0.9900 . ?
C13_36 C14_36 1.511(16) . ?
C13_36 H13A_36 0.9900 . ?
C13_36 H13B_36 0.9900 . ?
C14_36 H14A_36 0.9900 . ?
C14_36 H14B_36 0.9900 . ?
C15_36 C16_36 1.505(14) . ?
C15_36 C20_36 1.506(14) . ?
C15_36 H15_36 1.0000 . ?
C16_36 C17_36 1.535(15) . ?
C16_36 H16A_36 0.9900 . ?
C16_36 H16B_36 0.9900 . ?
C17_36 C18_36 1.504(15) . ?
C17_36 H17A_36 0.9900 . ?
C17_36 H17B_36 0.9900 . ?
C18_36 C19_36 1.501(15) . ?
C18_36 H18A_36 0.9900 . ?
C18_36 H18B_36 0.9900 . ?
C19_36 C20_36 1.531(15) . ?
C19_36 H19A_36 0.9900 . ?
C19_36 H19B_36 0.9900 . ?
C20_36 H20A_36 0.9900 . ?
C20_36 H20B_36 0.9900 . ?
C21_36 C26_36 1.521(15) . ?
C21_36 C22_36 1.524(15) . ?
C21_36 H21_36 1.0000 . ?
C22_36 C23_36 1.535(15) . ?
C22_36 H22A_36 0.9900 . ?
C22_36 H22B_36 0.9900 . ?
C23_36 C24_36 1.515(15) . ?
C23_36 H23A_36 0.9900 . ?
C23_36 H23B_36 0.9900 . ?
C24_36 C25_36 1.514(15) . ?
C24_36 H24A_36 0.9900 . ?
C24_36 H24B_36 0.9900 . ?
C25_36 C26_36 1.528(15) . ?
C25_36 H25A_36 0.9900 . ?
C25_36 H25B_36 0.9900 . ?
C26_36 H26A_36 0.9900 . ?
C26_36 H26B_36 0.9900 . ?
O1_37 C1_37 1.353(13) . ?
C1_37 C4_37 1.537(12) . ?
C1_37 C2_37 1.552(12) . ?
C1_37 C3_37 1.552(12) . ?
C2_37 F1_37 1.322(13) . ?
C2_37 F2_37 1.338(13) . ?
C2_37 F3_37 1.339(13) . ?
C3_37 F6_37 1.335(13) . ?
C3_37 F4_37 1.339(13) . ?
C3_37 F5_37 1.358(13) . ?
C4_37 F9_37 1.338(13) . ?
C4_37 F7_37 1.339(13) . ?
C4_37 F8_37 1.344(13) . ?
O1_38 C1_38 1.340(12) . ?
C1_38 C4_38 1.530(12) . ?
C1_38 C2_38 1.531(12) . ?
C1_38 C3_38 1.546(12) . ?
C2_38 F3_38 1.325(13) . ?
C2_38 F2_38 1.326(13) . ?
C2_38 F1_38 1.328(13) . ?
C3_38 F6_38 1.317(13) . ?
C3_38 F5_38 1.347(13) . ?
C3_38 F4_38 1.351(13) . ?
C4_38 F8_38 1.320(13) . ?
C4_38 F9_38 1.335(13) . ?
C4_38 F7_38 1.336(13) . ?
O1_39 C1_39 1.334(13) . ?
C1_39 C4_39 1.532(12) . ?
C1_39 C2_39 1.541(12) . ?
C1_39 C3_39 1.557(13) . ?
C2_39 F1_39 1.312(13) . ?
C2_39 F3_39 1.335(13) . ?
C2_39 F2_39 1.356(13) . ?
C3_39 F6_39 1.330(13) . ?
C3_39 F5_39 1.334(13) . ?
C3_39 F4_39 1.334(13) . ?
C4_39 F9_39 1.331(13) . ?
C4_39 F7_39 1.342(13) . ?
C4_39 F8_39 1.348(13) . ?
O1_40 C1_40 1.352(12) . ?
C1_40 C4_40 1.538(12) . ?
C1_40 C2_40 1.543(12) . ?
C1_40 C3_40 1.546(12) . ?
C2_40 F1_40 1.334(12) . ?
C2_40 F2_40 1.335(13) . ?
C2_40 F3_40 1.353(13) . ?
C3_40 F6_40 1.338(12) . ?
C3_40 F5_40 1.343(12) . ?
C3_40 F4_40 1.348(12) . ?
C4_40 F7_40 1.335(12) . ?
C4_40 F9_40 1.338(12) . ?
C4_40 F8_40 1.344(12) . ?
O1_41 C1_41 1.337(12) . ?
C1_41 C4_41 1.537(12) . ?
C1_41 C3_41 1.541(12) . ?
C1_41 C2_41 1.560(12) . ?
C2_41 F1_41 1.316(13) . ?
C2_41 F3_41 1.333(13) . ?
C2_41 F2_41 1.342(13) . ?
C3_41 F4_41 1.331(13) . ?
C3_41 F5_41 1.357(13) . ?
C3_41 F6_41 1.364(13) . ?
C4_41 F8_41 1.332(13) . ?
C4_41 F9_41 1.347(13) . ?
C4_41 F7_41 1.351(13) . ?
F9_41 F9_59 1.57(3) 2_566 ?
P1_42 C1_42 1.821(11) . ?
P1_42 C7_42 1.828(10) . ?
P1_42 C13_42 1.832(12) . ?
P2_42 C21_42 1.826(11) . ?
P2_42 C14_42 1.836(11) . ?
P2_42 C15_42 1.839(11) . ?
C1_42 C6_42 1.523(12) . ?
C1_42 C2_42 1.530(13) . ?
C1_42 H1_42 1.0000 . ?
C2_42 C3_42 1.531(13) . ?
C2_42 H2A_42 0.9900 . ?
C2_42 H2B_42 0.9900 . ?
C3_42 C4_42 1.511(13) . ?
C3_42 H3A_42 0.9900 . ?
C3_42 H3B_42 0.9900 . ?
C4_42 C5_42 1.521(13) . ?
C4_42 H4A_42 0.9900 . ?
C4_42 H4B_42 0.9900 . ?
C5_42 C6_42 1.532(13) . ?
C5_42 H5A_42 0.9900 . ?
C5_42 H5B_42 0.9900 . ?
C6_42 H6A_42 0.9900 . ?
C6_42 H6B_42 0.9900 . ?
C7_42 C12_42 1.497(12) . ?
C7_42 C8_42 1.519(12) . ?
C7_42 H7_42 1.0000 . ?
C8_42 C9_42 1.518(13) . ?
C8_42 H8A_42 0.9900 . ?
C8_42 H8B_42 0.9900 . ?
C9_42 C10_42 1.478(12) . ?
C9_42 H9A_42 0.9900 . ?
C9_42 H9B_42 0.9900 . ?
C10_42 C11_42 1.503(12) . ?
C10_42 H10A_42 0.9900 . ?
C10_42 H10B_42 0.9900 . ?
C11_42 C12_42 1.523(12) . ?
C11_42 H11A_42 0.9900 . ?
C11_42 H11B_42 0.9900 . ?
C12_42 H12A_42 0.9900 . ?
C12_42 H12B_42 0.9900 . ?
C13_42 C14_42 1.524(12) . ?
C13_42 H13A_42 0.9900 . ?
C13_42 H13B_42 0.9900 . ?
C14_42 H14A_42 0.9900 . ?
C14_42 H14B_42 0.9900 . ?
C15_42 C16_42 1.517(12) . ?
C15_42 C20_42 1.529(13) . ?
C15_42 H15_42 1.0000 . ?
C16_42 C17_42 1.535(12) . ?
C16_42 H16A_42 0.9900 . ?
C16_42 H16B_42 0.9900 . ?
C17_42 C18_42 1.518(13) . ?
C17_42 H17A_42 0.9900 . ?
C17_42 H17B_42 0.9900 . ?
C18_42 C19_42 1.511(13) . ?
C18_42 H18A_42 0.9900 . ?
C18_42 H18B_42 0.9900 . ?
C19_42 C20_42 1.528(12) . ?
C19_42 H19A_42 0.9900 . ?
C19_42 H19B_42 0.9900 . ?
C20_42 H20A_42 0.9900 . ?
C20_42 H20B_42 0.9900 . ?
C21_42 C22_42 1.526(11) . ?
C21_42 C26_42 1.542(10) . ?
C21_42 H21_42 1.0000 . ?
C22_42 C23_42 1.526(12) . ?
C22_42 H22A_42 0.9900 . ?
C22_42 H22B_42 0.9900 . ?
C23_42 C24_42 1.541(12) . ?
C23_42 H23A_42 0.9900 . ?
C23_42 H23B_42 0.9900 . ?
C24_42 C25_42 1.524(12) . ?
C24_42 H24A_42 0.9900 . ?
C24_42 H24B_42 0.9900 . ?
C25_42 C26_42 1.519(11) . ?
C25_42 H25A_42 0.9900 . ?
C25_42 H25B_42 0.9900 . ?
C26_42 H26A_42 0.9900 . ?
C26_42 H26B_42 0.9900 . ?
P1_43 C7_43 1.811(13) . ?
P1_43 C13_43 1.820(14) . ?
P1_43 C1_43 1.831(13) . ?
P2_43 C21_43 1.843(13) . ?
P2_43 C15_43 1.843(14) . ?
P2_43 C14_43 1.851(14) . ?
C1_43 C2_43 1.526(15) . ?
C1_43 C6_43 1.527(14) . ?
C1_43 H1_43 1.0000 . ?
C2_43 C3_43 1.530(15) . ?
C2_43 H2A_43 0.9900 . ?
C2_43 H2B_43 0.9900 . ?
C3_43 C4_43 1.512(15) . ?
C3_43 H3A_43 0.9900 . ?
C3_43 H3B_43 0.9900 . ?
C4_43 C5_43 1.511(15) . ?
C4_43 H4A_43 0.9900 . ?
C4_43 H4B_43 0.9900 . ?
C5_43 C6_43 1.527(14) . ?
C5_43 H5A_43 0.9900 . ?
C5_43 H5B_43 0.9900 . ?
C6_43 H6A_43 0.9900 . ?
C6_43 H6B_43 0.9900 . ?
C7_43 C8_43 1.504(14) . ?
C7_43 C12_43 1.520(14) . ?
C7_43 H7_43 1.0000 . ?
C8_43 C9_43 1.534(15) . ?
C8_43 H8A_43 0.9900 . ?
C8_43 H8B_43 0.9900 . ?
C9_43 C10_43 1.505(15) . ?
C9_43 H9A_43 0.9900 . ?
C9_43 H9B_43 0.9900 . ?
C10_43 C11_43 1.509(15) . ?
C10_43 H10A_43 0.9900 . ?
C10_43 H10B_43 0.9900 . ?
C11_43 C12_43 1.532(15) . ?
C11_43 H11A_43 0.9900 . ?
C11_43 H11B_43 0.9900 . ?
C12_43 H12A_43 0.9900 . ?
C12_43 H12B_43 0.9900 . ?
C13_43 C14_43 1.502(16) . ?
C13_43 H13A_43 0.9900 . ?
C13_43 H13B_43 0.9900 . ?
C14_43 H14A_43 0.9900 . ?
C14_43 H14B_43 0.9900 . ?
C15_43 C16_43 1.519(15) . ?
C15_43 C20_43 1.527(15) . ?
C15_43 H15_43 1.0000 . ?
C16_43 C17_43 1.537(15) . ?
C16_43 H16A_43 0.9900 . ?
C16_43 H16B_43 0.9900 . ?
C17_43 C18_43 1.510(15) . ?
C17_43 H17A_43 0.9900 . ?
C17_43 H17B_43 0.9900 . ?
C18_43 C19_43 1.510(15) . ?
C18_43 H18A_43 0.9900 . ?
C18_43 H18B_43 0.9900 . ?
C19_43 C20_43 1.530(15) . ?
C19_43 H19A_43 0.9900 . ?
C19_43 H19B_43 0.9900 . ?
C20_43 H20A_43 0.9900 . ?
C20_43 H20B_43 0.9900 . ?
C21_43 C22_43 1.523(14) . ?
C21_43 C26_43 1.526(14) . ?
C21_43 H21_43 1.0000 . ?
C22_43 C23_43 1.532(15) . ?
C22_43 H22A_43 0.9900 . ?
C22_43 H22B_43 0.9900 . ?
C23_43 C24_43 1.511(14) . ?
C23_43 H23A_43 0.9900 . ?
C23_43 H23B_43 0.9900 . ?
C24_43 C25_43 1.510(15) . ?
C24_43 H24A_43 0.9900 . ?
C24_43 H24B_43 0.9900 . ?
C25_43 C26_43 1.533(15) . ?
C25_43 H25A_43 0.9900 . ?
C25_43 H25B_43 0.9900 . ?
C26_43 H26A_43 0.9900 . ?
C26_43 H26B_43 0.9900 . ?
P1_44 C7_44 1.822(13) . ?
P1_44 C1_44 1.824(13) . ?
P1_44 C13_44 1.825(14) . ?
P2_44 C21_44 1.825(13) . ?
P2_44 C14_44 1.831(15) . ?
P2_44 C15_44 1.839(13) . ?
C1_44 C2_44 1.518(14) . ?
C1_44 C6_44 1.520(13) . ?
C1_44 H1_44 1.0000 . ?
C2_44 C3_44 1.534(14) . ?
C2_44 H2A_44 0.9900 . ?
C2_44 H2B_44 0.9900 . ?
C3_44 C4_44 1.514(14) . ?
C3_44 H3A_44 0.9900 . ?
C3_44 H3B_44 0.9900 . ?
C4_44 C5_44 1.515(14) . ?
C4_44 H4A_44 0.9900 . ?
C4_44 H4B_44 0.9900 . ?
C5_44 C6_44 1.529(14) . ?
C5_44 H5A_44 0.9900 . ?
C5_44 H5B_44 0.9900 . ?
C6_44 H6A_44 0.9900 . ?
C6_44 H6B_44 0.9900 . ?
C7_44 C8_44 1.520(15) . ?
C7_44 C12_44 1.527(14) . ?
C7_44 H7_44 1.0000 . ?
C8_44 C9_44 1.527(15) . ?
C8_44 H8A_44 0.9900 . ?
C8_44 H8B_44 0.9900 . ?
C9_44 C10_44 1.513(15) . ?
C9_44 H9A_44 0.9900 . ?
C9_44 H9B_44 0.9900 . ?
C10_44 C11_44 1.515(15) . ?
C10_44 H10A_44 0.9900 . ?
C10_44 H10B_44 0.9900 . ?
C11_44 C12_44 1.534(15) . ?
C11_44 H11A_44 0.9900 . ?
C11_44 H11B_44 0.9900 . ?
C12_44 H12A_44 0.9900 . ?
C12_44 H12B_44 0.9900 . ?
C13_44 C14_44 1.512(16) . ?
C13_44 H13A_44 0.9900 . ?
C13_44 H13B_44 0.9900 . ?
C14_44 H14A_44 0.9900 . ?
C14_44 H14B_44 0.9900 . ?
C15_44 C16_44 1.525(15) . ?
C15_44 C20_44 1.525(15) . ?
C15_44 H15_44 1.0000 . ?
C16_44 C17_44 1.530(15) . ?
C16_44 H16A_44 0.9900 . ?
C16_44 H16B_44 0.9900 . ?
C17_44 C18_44 1.511(15) . ?
C17_44 H17A_44 0.9900 . ?
C17_44 H17B_44 0.9900 . ?
C18_44 C19_44 1.512(15) . ?
C18_44 H18A_44 0.9900 . ?
C18_44 H18B_44 0.9900 . ?
C19_44 C20_44 1.533(15) . ?
C19_44 H19A_44 0.9900 . ?
C19_44 H19B_44 0.9900 . ?
C20_44 H20A_44 0.9900 . ?
C20_44 H20B_44 0.9900 . ?
C21_44 C26_44 1.520(15) . ?
C21_44 C22_44 1.520(15) . ?
C21_44 H21_44 1.0000 . ?
C22_44 C23_44 1.533(15) . ?
C22_44 H22A_44 0.9900 . ?
C22_44 H22B_44 0.9900 . ?
C23_44 C24_44 1.510(15) . ?
C23_44 H23A_44 0.9900 . ?
C23_44 H23B_44 0.9900 . ?
C24_44 C25_44 1.512(15) . ?
C24_44 H24A_44 0.9900 . ?
C24_44 H24B_44 0.9900 . ?
C25_44 C26_44 1.532(15) . ?
C25_44 H25A_44 0.9900 . ?
C25_44 H25B_44 0.9900 . ?
C26_44 H26A_44 0.9900 . ?
C26_44 H26B_44 0.9900 . ?
O1_45 C1_45 1.345(13) . ?
C1_45 C4_45 1.539(12) . ?
C1_45 C2_45 1.541(12) . ?
C1_45 C3_45 1.551(12) . ?
C2_45 F2_45 1.325(13) . ?
C2_45 F3_45 1.330(13) . ?
C2_45 F1_45 1.340(13) . ?
C3_45 F5_45 1.326(13) . ?
C3_45 F6_45 1.337(13) . ?
C3_45 F4_45 1.338(13) . ?
C4_45 F9_45 1.319(13) . ?
C4_45 F7_45 1.329(13) . ?
C4_45 F8_45 1.349(13) . ?
O1_46 C1_46 1.348(13) . ?
C1_46 C3_46 1.541(12) . ?
C1_46 C4_46 1.541(12) . ?
C1_46 C2_46 1.545(12) . ?
C2_46 F2_46 1.331(13) . ?
C2_46 F3_46 1.335(13) . ?
C2_46 F1_46 1.344(13) . ?
C3_46 F6_46 1.333(13) . ?
C3_46 F4_46 1.334(13) . ?
C3_46 F5_46 1.345(13) . ?
C4_46 F9_46 1.329(13) . ?
C4_46 F7_46 1.330(13) . ?
C4_46 F8_46 1.344(13) . ?
O1_47 C1_47 1.347(10) . ?
C1_47 C4_47 1.545(11) . ?
C1_47 C3_47 1.550(11) . ?
C1_47 C2_47 1.553(11) . ?
C2_47 F1_47 1.333(12) . ?
C2_47 F2_47 1.342(11) . ?
C2_47 F3_47 1.350(11) . ?
C3_47 F6_47 1.332(11) . ?
C3_47 F5_47 1.340(11) . ?
C3_47 F4_47 1.349(12) . ?
C4_47 F9_47 1.322(11) . ?
C4_47 F7_47 1.338(11) . ?
C4_47 F8_47 1.343(10) . ?
O1_48 C1_48 1.345(12) . ?
C1_48 C4_48 1.543(12) . ?
C1_48 C2_48 1.551(12) . ?
C1_48 C3_48 1.561(12) . ?
C2_48 F2_48 1.316(13) . ?
C2_48 F3_48 1.356(12) . ?
C2_48 F1_48 1.363(13) . ?
C3_48 F6_48 1.337(13) . ?
C3_48 F4_48 1.350(12) . ?
C3_48 F5_48 1.375(13) . ?
C4_48 F9_48 1.325(13) . ?
C4_48 F7_48 1.345(13) . ?
C4_48 F8_48 1.370(13) . ?
O1_49 C1_49 1.339(12) . ?
C1_49 C4_49 1.537(12) . ?
C1_49 C2_49 1.541(12) . ?
C1_49 C3_49 1.544(12) . ?
C2_49 F3_49 1.323(13) . ?
C2_49 F2_49 1.328(13) . ?
C2_49 F1_49 1.347(13) . ?
C3_49 F4_49 1.330(13) . ?
C3_49 F5_49 1.337(13) . ?
C3_49 F6_49 1.341(13) . ?
C4_49 F7_49 1.323(13) . ?
C4_49 F8_49 1.333(13) . ?
C4_49 F9_49 1.337(13) . ?
C1_28 C2_28 1.518(9) . ?
C1_28 C6_28 1.537(9) . ?
C1_28 H1_28 1.0000 . ?
C2_28 C3_28 1.516(9) . ?
C2_28 H2A_28 0.9900 . ?
C2_28 H2B_28 0.9900 . ?
C3_28 C4_28 1.527(10) . ?
C3_28 H3A_28 0.9900 . ?
C3_28 H3B_28 0.9900 . ?
C4_28 C5_28 1.526(10) . ?
C4_28 H4A_28 0.9900 . ?
C4_28 H4B_28 0.9900 . ?
C5_28 C6_28 1.519(9) . ?
C5_28 H5A_28 0.9900 . ?
C5_28 H5B_28 0.9900 . ?
C6_28 H6A_28 0.9900 . ?
C6_28 H6B_28 0.9900 . ?
C1_50 C2_50 1.537(7) . ?
C1_50 C6_50 1.544(7) . ?
C1_50 H1_50 1.0000 . ?
C2_50 C3_50 1.518(8) . ?
C2_50 H2A_50 0.9900 . ?
C2_50 H2B_50 0.9900 . ?
C3_50 C4_50 1.515(9) . ?
C3_50 H3A_50 0.9900 . ?
C3_50 H3B_50 0.9900 . ?
C4_50 C5_50 1.532(8) . ?
C4_50 H4A_50 0.9900 . ?
C4_50 H4B_50 0.9900 . ?
C5_50 C6_50 1.512(7) . ?
C5_50 H5A_50 0.9900 . ?
C5_50 H5B_50 0.9900 . ?
C6_50 H6A_50 0.9900 . ?
C6_50 H6B_50 0.9900 . ?
C1_51 C6_51 1.512(9) . ?
C1_51 C2_51 1.549(9) . ?
C1_51 H1_51 1.0000 . ?
C2_51 C3_51 1.558(10) . ?
C2_51 H2A_51 0.9900 . ?
C2_51 H2B_51 0.9900 . ?
C3_51 C4_51 1.494(10) . ?
C3_51 H3A_51 0.9900 . ?
C3_51 H3B_51 0.9900 . ?
C4_51 C5_51 1.534(10) . ?
C4_51 H4A_51 0.9900 . ?
C4_51 H4B_51 0.9900 . ?
C5_51 C6_51 1.520(9) . ?
C5_51 H5A_51 0.9900 . ?
C5_51 H5B_51 0.9900 . ?
C6_51 H6A_51 0.9900 . ?
C6_51 H6B_51 0.9900 . ?
C1_52 C6_52 1.530(7) . ?
C1_52 C2_52 1.533(7) . ?
C1_52 H1_52 1.0000 . ?
C2_52 C3_52 1.537(8) . ?
C2_52 H2A_52 0.9900 . ?
C2_52 H2B_52 0.9900 . ?
C3_52 C4_52 1.529(8) . ?
C3_52 H3A_52 0.9900 . ?
C3_52 H3B_52 0.9900 . ?
C4_52 C5_52 1.524(8) . ?
C4_52 H4A_52 0.9900 . ?
C4_52 H4B_52 0.9900 . ?
C5_52 C6_52 1.518(8) . ?
C5_52 H5A_52 0.9900 . ?
C5_52 H5B_52 0.9900 . ?
C6_52 H6A_52 0.9900 . ?
C6_52 H6B_52 0.9900 . ?
C1_53 C2_53 1.517(15) . ?
C1_53 C6_53 1.531(15) . ?
C1_53 H1_53 1.0000 . ?
C2_53 C3_53 1.530(15) . ?
C2_53 H2A_53 0.9900 . ?
C2_53 H2B_53 0.9900 . ?
C3_53 C4_53 1.526(15) . ?
C3_53 H3A_53 0.9900 . ?
C3_53 H3B_53 0.9900 . ?
C4_53 C5_53 1.532(15) . ?
C4_53 H4A_53 0.9900 . ?
C4_53 H4B_53 0.9900 . ?
C5_53 C6_53 1.536(15) . ?
C5_53 H5A_53 0.9900 . ?
C5_53 H5B_53 0.9900 . ?
C6_53 H6A_53 0.9900 . ?
C6_53 H6B_53 0.9900 . ?
C1_54 C6_54 1.521(14) . ?
C1_54 C2_54 1.524(14) . ?
C1_54 H1_54 1.0000 . ?
C2_54 C3_54 1.534(14) . ?
C2_54 H2A_54 0.9900 . ?
C2_54 H2B_54 0.9900 . ?
C3_54 C4_54 1.530(14) . ?
C3_54 H3A_54 0.9900 . ?
C3_54 H3B_54 0.9900 . ?
C4_54 C5_54 1.523(15) . ?
C4_54 H4A_54 0.9900 . ?
C4_54 H4B_54 0.9900 . ?
C5_54 C6_54 1.538(14) . ?
C5_54 H5A_54 0.9900 . ?
C5_54 H5B_54 0.9900 . ?
C6_54 H6A_54 0.9900 . ?
C6_54 H6B_54 0.9900 . ?
O1_55 C1_55 1.352(12) . ?
C1_55 C2_55 1.540(12) . ?
C1_55 C4_55 1.542(12) . ?
C1_55 C3_55 1.547(12) . ?
C2_55 F3_55 1.317(13) . ?
C2_55 F1_55 1.326(13) . ?
C2_55 F2_55 1.334(13) . ?
C3_55 F4_55 1.322(13) . ?
C3_55 F6_55 1.334(13) . ?
C3_55 F5_55 1.336(13) . ?
C4_55 F9_55 1.315(13) . ?
C4_55 F7_55 1.341(13) . ?
C4_55 F8_55 1.347(13) . ?
O1_56 C1_56 1.351(13) . ?
C1_56 C4_56 1.536(12) . ?
C1_56 C2_56 1.539(13) . ?
C1_56 C3_56 1.549(13) . ?
C2_56 F2_56 1.335(14) . ?
C2_56 F1_56 1.335(13) . ?
C2_56 F3_56 1.337(13) . ?
C3_56 F5_56 1.334(13) . ?
C3_56 F4_56 1.340(13) . ?
C3_56 F6_56 1.342(13) . ?
C4_56 F8_56 1.337(13) . ?
C4_56 F7_56 1.341(13) . ?
C4_56 F9_56 1.342(13) . ?
O1_57 C1_57 1.335(13) . ?
C1_57 C3_57 1.540(12) . ?
C1_57 C4_57 1.543(12) . ?
C1_57 C2_57 1.560(12) . ?
C2_57 F2_57 1.328(13) . ?
C2_57 F3_57 1.331(13) . ?
C2_57 F1_57 1.343(13) . ?
C3_57 F6_57 1.323(13) . ?
C3_57 F4_57 1.331(13) . ?
C3_57 F5_57 1.353(13) . ?
F4_57 F4_60 1.64(4) . ?
C4_57 F8_57 1.320(13) . ?
C4_57 F7_57 1.337(13) . ?
C4_57 F9_57 1.357(13) . ?
O1_58 C1_58 1.345(12) . ?
C1_58 C2_58 1.541(12) . ?
C1_58 C3_58 1.548(12) . ?
C1_58 C4_58 1.549(12) . ?
C2_58 F1_58 1.336(13) . ?
C2_58 F2_58 1.338(13) . ?
C2_58 F3_58 1.343(13) . ?
C3_58 F5_58 1.339(13) . ?
C3_58 F4_58 1.340(13) . ?
C3_58 F6_58 1.344(12) . ?
C4_58 F9_58 1.331(12) . ?
C4_58 F8_58 1.332(12) . ?
C4_58 F7_58 1.338(13) . ?
O1_59 C1_59 1.341(13) . ?
C1_59 C3_59 1.535(13) . ?
C1_59 C2_59 1.543(13) . ?
C1_59 C4_59 1.549(13) . ?
C2_59 F2_59 1.334(13) . ?
C2_59 F1_59 1.337(13) . ?
C2_59 F3_59 1.339(13) . ?
C3_59 F4_59 1.326(13) . ?
C3_59 F6_59 1.341(14) . ?
C3_59 F5_59 1.343(13) . ?
C4_59 F7_59 1.325(13) . ?
C4_59 F9_59 1.327(13) . ?
C4_59 F8_59 1.342(14) . ?
O1_60 C1_60 1.334(14) . ?
C1_60 C2_60 1.543(13) . ?
C1_60 C4_60 1.546(13) . ?
C1_60 C3_60 1.547(13) . ?
C2_60 F3_60 1.335(14) . ?
C2_60 F1_60 1.344(14) . ?
C2_60 F2_60 1.346(14) . ?
C3_60 F6_60 1.329(14) . ?
C3_60 F5_60 1.339(14) . ?
C3_60 F4_60 1.342(14) . ?
C4_60 F8_60 1.339(14) . ?
C4_60 F7_60 1.339(14) . ?
C4_60 F9_60 1.340(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ga1 P1_32 105.74(15) . . ?
C1 Ga1 P2_32 108.11(16) . . ?
P1_32 Ga1 P2_32 86.90(9) . . ?
C1 Ga1 Ga2 115.64(14) . . ?
P1_32 Ga1 Ga2 119.16(7) . . ?
P2_32 Ga1 Ga2 117.40(7) . . ?
C1 Ga1 P2_36 100.3(7) . . ?
Ga2 Ga1 P2_36 122.9(8) . . ?
C1 Ga1 P1_36 115.9(6) . . ?
Ga2 Ga1 P1_36 114.1(6) . . ?
P2_36 Ga1 P1_36 84.0(9) . . ?
F1 Ga2 P1_31 102.25(12) . . ?
F1 Ga2 Ga1 115.42(11) . . ?
P1_31 Ga2 Ga1 122.26(5) . . ?
F1 Ga2 P2_31 101.22(12) . . ?
P1_31 Ga2 P2_31 85.77(5) . . ?
Ga1 Ga2 P2_31 124.27(4) . . ?
F4 Ga3 P1 99.50(9) . . ?
F4 Ga3 Ga4 115.04(8) . . ?
P1 Ga3 Ga4 126.43(5) . . ?
F4 Ga3 P2 102.16(9) . . ?
P1 Ga3 P2 84.26(6) . . ?
Ga4 Ga3 P2 123.17(4) . . ?
C7 Ga4 P2_42 104.0(3) . . ?
C7 Ga4 P1_42 113.2(3) . . ?
P2_42 Ga4 P1_42 87.7(4) . . ?
C7 Ga4 P2_27 110.8(2) . . ?
C7 Ga4 Ga3 115.58(15) . . ?
P2_42 Ga4 Ga3 120.4(3) . . ?
P1_42 Ga4 Ga3 112.7(3) . . ?
P2_27 Ga4 Ga3 119.1(2) . . ?
C7 Ga4 P1_27 107.3(2) . . ?
P2_27 Ga4 P1_27 83.7(3) . . ?
Ga3 Ga4 P1_27 115.7(2) . . ?
F7 Ga5 P1_44 112.9(5) . . ?
F7 Ga5 P2_29 97.28(12) . . ?
F7 Ga5 Ga6 111.62(11) . . ?
P1_44 Ga5 Ga6 123.1(4) . . ?
P2_29 Ga5 Ga6 129.31(5) . . ?
F7 Ga5 P2_44 105.0(5) . . ?
P1_44 Ga5 P2_44 86.5(6) . . ?
Ga6 Ga5 P2_44 113.9(5) . . ?
F7 Ga5 P1_29 99.65(12) . . ?
P2_29 Ga5 P1_29 84.62(6) . . ?
Ga6 Ga5 P1_29 127.26(5) . . ?
C13 Ga6 P2_43 93.7(5) . . ?
C13 Ga6 P1_30 110.71(17) . . ?
C13 Ga6 Ga5 116.70(18) . . ?
P2_43 Ga6 Ga5 121.2(5) . . ?
P1_30 Ga6 Ga5 114.94(5) . . ?
C13 Ga6 P2_30 103.9(2) . . ?
P1_30 Ga6 P2_30 87.01(7) . . ?
Ga5 Ga6 P2_30 119.59(6) . . ?
C13 Ga6 P1_43 131.7(3) . . ?
P2_43 Ga6 P1_43 85.4(5) . . ?
Ga5 Ga6 P1_43 104.3(3) . . ?
C1_28 P1 C1_50 108.2(3) . . ?
C1_28 P1 C19 106.7(3) . . ?
C1_50 P1 C19 105.6(3) . . ?
C19 P1 C1_54 116.7(11) . . ?
C1_28 P1 Ga3 125.9(2) . . ?
C1_50 P1 Ga3 106.80(19) . . ?
C19 P1 Ga3 101.9(2) . . ?
C1_54 P1 Ga3 113.8(7) . . ?
C1_53 P2 C20 93.8(9) . . ?
C20 P2 C1_52 106.0(3) . . ?
C20 P2 C1_51 108.7(4) . . ?
C1_52 P2 C1_51 106.8(3) . . ?
C1_53 P2 Ga3 118.2(12) . . ?
C20 P2 Ga3 104.5(2) . . ?
C1_52 P2 Ga3 111.43(19) . . ?
C1_51 P2 Ga3 118.6(2) . . ?
O1_26 Al1 O1_12 100.2(6) . . ?
O1_35 Al1 O1_38 114.8(10) . . ?
O1_26 Al1 O1_18 106.8(6) . . ?
O1_12 Al1 O1_18 109.7(5) . . ?
O1_26 Al1 O1_13 123.9(8) . . ?
O1_12 Al1 O1_13 109.7(9) . . ?
O1_18 Al1 O1_13 106.0(7) . . ?
O1_35 Al1 O1_49 104.4(11) . . ?
O1_38 Al1 O1_49 126.2(9) . . ?
O1_35 Al1 O1_45 95.4(13) . . ?
O1_38 Al1 O1_45 92.8(12) . . ?
O1_49 Al1 O1_45 119.4(13) . . ?
O1_3 Al2 O1_2 111.2(3) . . ?
O1_3 Al2 O1_1 116.2(3) . . ?
O1_2 Al2 O1_1 107.6(2) . . ?
O1_3 Al2 O1_14 108.2(6) . . ?
O1_2 Al2 O1_14 109.8(6) . . ?
O1_1 Al2 O1_14 103.4(5) . . ?
O1_58 Al2 O1_37 101.8(8) . . ?
O1_22 Al3 O1_16 108.8(3) . . ?
O1_22 Al3 O1_11 112.8(3) . . ?
O1_16 Al3 O1_11 108.6(3) . . ?
O1_22 Al3 O1_23 106.1(4) . . ?
O1_16 Al3 O1_23 111.2(5) . . ?
O1_11 Al3 O1_23 109.4(4) . . ?
O1_34 Al4 O1_33 110.7(8) . . ?
O1_34 Al4 O1_47 111.0(7) . . ?
O1_33 Al4 O1_47 86.2(5) . . ?
O1_7 Al4 O1_9 105.0(4) . . ?
O1_7 Al4 O1_19 99.8(3) . . ?
O1_9 Al4 O1_19 130.0(5) . . ?
O1_7 Al4 O1_8 106.9(6) . . ?
O1_9 Al4 O1_8 106.7(6) . . ?
O1_19 Al4 O1_8 106.5(5) . . ?
O1_24 Al5 O1_6 106.4(4) . . ?
O1_24 Al5 O1_4 113.4(3) . . ?
O1_6 Al5 O1_4 107.3(3) . . ?
O1_24 Al5 O1_5 112.4(4) . . ?
O1_6 Al5 O1_5 108.1(3) . . ?
O1_4 Al5 O1_5 108.9(3) . . ?
O1_60 Al5 O1_57 102.1(14) . . ?
O1_20 Al6 O1_21 113.6(11) . . ?
O1_59 Al6 O1_48 124.6(16) . . ?
O1_20 Al6 O1_17 122.7(8) . . ?
O1_21 Al6 O1_17 107.3(8) . . ?
O1_59 Al6 O1_41 91.5(14) . . ?
O1_48 Al6 O1_41 112.5(10) . . ?
O1_20 Al6 F28 103.4(8) . . ?
O1_59 Al6 F28 110.9(12) . . ?
O1_21 Al6 F28 108.6(8) . . ?
O1_48 Al6 F28 107.9(8) . . ?
O1_17 Al6 F28 99.4(3) . . ?
O1_41 Al6 F28 107.7(8) . . ?
O1_10 Al7 O1_25 117.2(8) . . ?
O1_10 Al7 O1_15 113.2(8) . . ?
O1_25 Al7 O1_15 109.4(4) . . ?
O1_40 Al7 O1_46 107.1(14) . . ?
O1_10 Al7 F27 107.6(8) . . ?
O1_40 Al7 F27 110.3(11) . . ?
O1_25 Al7 F27 102.1(2) . . ?
O1_15 Al7 F27 106.2(4) . . ?
O1_46 Al7 F27 99.7(11) . . ?
Al7 F27 Al7 180.00(10) . 2_667 ?
Al6 F28 Al6 180.0 2_566 . ?
C14 F8 C12_44 131.4(10) . . ?
F2 C2 C3 116.4(5) . . ?
F2 C2 C1 117.3(4) . . ?
C3 C2 C1 126.3(5) . . ?
C8 C7 C12 112.8(5) . . ?
C8 C7 Ga4 121.4(4) . . ?
C12 C7 Ga4 125.8(4) . . ?
F3 C6 C5 116.3(5) . . ?
F3 C6 C1 117.7(4) . . ?
C5 C6 C1 125.9(5) . . ?
F6 C12 C11 116.8(5) . . ?
F6 C12 C7 117.8(5) . . ?
C11 C12 C7 125.4(5) . . ?
C5 C4 C3 120.4(5) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C18 C13 C14 112.6(5) . . ?
C18 C13 Ga6 126.8(5) . . ?
C14 C13 Ga6 120.6(4) . . ?
C8 C9 C10 118.0(6) . . ?
C8 C9 H9 121.0 . . ?
C10 C9 H9 121.0 . . ?
C9 C10 C11 120.5(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 117.4(6) . . ?
C10 C11 H11 121.3 . . ?
C12 C11 H11 121.3 . . ?
C7 C8 C9 125.9(6) . . ?
C7 C8 F5 117.3(5) . . ?
C9 C8 F5 116.8(5) . . ?
F8 C14 C15 115.8(6) . . ?
F8 C14 C13 118.2(5) . . ?
C15 C14 C13 125.9(6) . . ?
C2 C3 C4 117.4(5) . . ?
C2 C3 H3 121.3 . . ?
C4 C3 H3 121.3 . . ?
C6 C5 C4 117.8(5) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C2 C1 C6 112.2(4) . . ?
C2 C1 Ga1 122.4(4) . . ?
C6 C1 Ga1 125.3(4) . . ?
C17 C16 C15 120.2(6) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
F9 C18 C17 116.5(6) . . ?
F9 C18 C13 116.9(5) . . ?
C17 C18 C13 126.6(6) . . ?
C20 C19 P1 111.0(5) . . ?
C20 C19 H19A 109.4 . . ?
P1 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
P1 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C19 C20 P2 111.7(5) . . ?
C19 C20 H20A 109.3 . . ?
P2 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
P2 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C14 C15 C16 117.5(6) . . ?
C14 C15 H15 121.2 . . ?
C16 C15 H15 121.2 . . ?
C18 C17 C16 117.2(6) . . ?
C18 C17 H17 121.4 . . ?
C16 C17 H17 121.4 . . ?
C1_1 O1_1 Al2 150.0(5) . . ?
O1_1 C1_1 C2_1 112.2(5) . . ?
O1_1 C1_1 C3_1 109.4(5) . . ?
C2_1 C1_1 C3_1 109.5(5) . . ?
O1_1 C1_1 C4_1 107.3(5) . . ?
C2_1 C1_1 C4_1 109.1(5) . . ?
C3_1 C1_1 C4_1 109.2(5) . . ?
F1_1 C2_1 F3_1 107.5(6) . . ?
F1_1 C2_1 F2_1 106.9(5) . . ?
F3_1 C2_1 F2_1 107.4(5) . . ?
F1_1 C2_1 C1_1 110.6(5) . . ?
F3_1 C2_1 C1_1 111.1(5) . . ?
F2_1 C2_1 C1_1 113.1(5) . . ?
F4_1 C3_1 F5_1 107.2(5) . . ?
F4_1 C3_1 F6_1 108.3(5) . . ?
F5_1 C3_1 F6_1 107.5(5) . . ?
F4_1 C3_1 C1_1 110.9(5) . . ?
F5_1 C3_1 C1_1 111.0(5) . . ?
F6_1 C3_1 C1_1 111.8(5) . . ?
F8_1 C4_1 F9_1 108.6(6) . . ?
F8_1 C4_1 F7_1 106.9(6) . . ?
F9_1 C4_1 F7_1 107.5(6) . . ?
F8_1 C4_1 C1_1 112.7(5) . . ?
F9_1 C4_1 C1_1 109.9(6) . . ?
F7_1 C4_1 C1_1 111.1(5) . . ?
C1_2 O1_2 Al2 149.5(4) . . ?
O1_2 C1_2 C3_2 110.6(5) . . ?
O1_2 C1_2 C2_2 111.9(5) . . ?
C3_2 C1_2 C2_2 108.6(5) . . ?
O1_2 C1_2 C4_2 108.2(5) . . ?
C3_2 C1_2 C4_2 108.3(5) . . ?
C2_2 C1_2 C4_2 109.1(5) . . ?
F1_2 C2_2 F2_2 107.3(7) . . ?
F1_2 C2_2 F3_2 108.6(6) . . ?
F2_2 C2_2 F3_2 107.8(6) . . ?
F1_2 C2_2 C1_2 110.4(6) . . ?
F2_2 C2_2 C1_2 112.9(6) . . ?
F3_2 C2_2 C1_2 109.6(6) . . ?
F5_2 C3_2 F6_2 108.5(6) . . ?
F5_2 C3_2 F4_2 105.8(6) . . ?
F6_2 C3_2 F4_2 108.0(6) . . ?
F5_2 C3_2 C1_2 111.3(5) . . ?
F6_2 C3_2 C1_2 112.5(6) . . ?
F4_2 C3_2 C1_2 110.4(6) . . ?
F7_2 C4_2 F8_2 108.7(6) . . ?
F7_2 C4_2 F9_2 106.5(6) . . ?
F8_2 C4_2 F9_2 106.4(6) . . ?
F7_2 C4_2 C1_2 111.8(5) . . ?
F8_2 C4_2 C1_2 113.0(6) . . ?
F9_2 C4_2 C1_2 110.2(5) . . ?
C1_3 O1_3 Al2 148.6(6) . . ?
O1_3 C1_3 C2_3 111.2(7) . . ?
O1_3 C1_3 C4_3 107.5(6) . . ?
C2_3 C1_3 C4_3 109.4(7) . . ?
O1_3 C1_3 C3_3 110.8(7) . . ?
C2_3 C1_3 C3_3 109.2(7) . . ?
C4_3 C1_3 C3_3 108.8(7) . . ?
F3_3 C2_3 F2_3 107.7(7) . . ?
F3_3 C2_3 F1_3 107.4(8) . . ?
F2_3 C2_3 F1_3 107.7(7) . . ?
F3_3 C2_3 C1_3 110.7(7) . . ?
F2_3 C2_3 C1_3 111.8(7) . . ?
F1_3 C2_3 C1_3 111.3(7) . . ?
F4_3 C3_3 F5_3 108.0(8) . . ?
F4_3 C3_3 F6_3 107.7(9) . . ?
F5_3 C3_3 F6_3 106.5(9) . . ?
F4_3 C3_3 C1_3 110.6(8) . . ?
F5_3 C3_3 C1_3 111.3(8) . . ?
F6_3 C3_3 C1_3 112.5(9) . . ?
F7_3 C4_3 F9_3 106.8(9) . . ?
F7_3 C4_3 F8_3 107.6(8) . . ?
F9_3 C4_3 F8_3 107.1(8) . . ?
F7_3 C4_3 C1_3 111.4(8) . . ?
F9_3 C4_3 C1_3 111.0(8) . . ?
F8_3 C4_3 C1_3 112.7(7) . . ?
C1_4 O1_4 Al5 150.9(5) . . ?
O1_4 C1_4 C4_4 111.4(6) . . ?
O1_4 C1_4 C3_4 108.9(6) . . ?
C4_4 C1_4 C3_4 110.1(6) . . ?
O1_4 C1_4 C2_4 109.2(6) . . ?
C4_4 C1_4 C2_4 108.4(6) . . ?
C3_4 C1_4 C2_4 108.9(6) . . ?
F2_4 C2_4 F3_4 107.7(8) . . ?
F2_4 C2_4 F1_4 109.7(8) . . ?
F3_4 C2_4 F1_4 108.7(8) . . ?
F2_4 C2_4 C1_4 111.0(7) . . ?
F3_4 C2_4 C1_4 110.1(7) . . ?
F1_4 C2_4 C1_4 109.6(7) . . ?
F6_4 C3_4 F4_4 107.4(7) . . ?
F6_4 C3_4 F5_4 108.1(7) . . ?
F4_4 C3_4 F5_4 109.8(8) . . ?
F6_4 C3_4 C1_4 112.9(7) . . ?
F4_4 C3_4 C1_4 109.1(6) . . ?
F5_4 C3_4 C1_4 109.4(6) . . ?
F8_4 C4_4 F7_4 110.4(7) . . ?
F8_4 C4_4 F9_4 106.3(7) . . ?
F7_4 C4_4 F9_4 108.1(7) . . ?
F8_4 C4_4 C1_4 112.1(6) . . ?
F7_4 C4_4 C1_4 108.8(7) . . ?
F9_4 C4_4 C1_4 111.0(6) . . ?
C1_5 O1_5 Al5 148.8(5) . . ?
O1_5 C1_5 C2_5 109.6(5) . . ?
O1_5 C1_5 C3_5 108.6(5) . . ?
C2_5 C1_5 C3_5 109.1(5) . . ?
O1_5 C1_5 C4_5 112.3(5) . . ?
C2_5 C1_5 C4_5 108.2(5) . . ?
C3_5 C1_5 C4_5 109.0(5) . . ?
F1_5 C2_5 F2_5 107.9(7) . . ?
F1_5 C2_5 F3_5 106.2(6) . . ?
F2_5 C2_5 F3_5 108.0(6) . . ?
F1_5 C2_5 C1_5 111.6(6) . . ?
F2_5 C2_5 C1_5 111.4(6) . . ?
F3_5 C2_5 C1_5 111.4(6) . . ?
F6_5 C3_5 F4_5 110.5(6) . . ?
F6_5 C3_5 F5_5 106.9(6) . . ?
F4_5 C3_5 F5_5 106.9(6) . . ?
F6_5 C3_5 C1_5 112.6(6) . . ?
F4_5 C3_5 C1_5 110.1(6) . . ?
F5_5 C3_5 C1_5 109.6(6) . . ?
F9_5 C4_5 F7_5 106.8(5) . . ?
F9_5 C4_5 F8_5 108.0(6) . . ?
F7_5 C4_5 F8_5 106.0(6) . . ?
F9_5 C4_5 C1_5 112.1(6) . . ?
F7_5 C4_5 C1_5 110.8(5) . . ?
F8_5 C4_5 C1_5 112.8(5) . . ?
C1_6 O1_6 Al5 157.2(7) . . ?
O1_6 C1_6 C2_6 112.7(7) . . ?
O1_6 C1_6 C4_6 109.6(6) . . ?
C2_6 C1_6 C4_6 110.4(6) . . ?
O1_6 C1_6 C3_6 106.4(7) . . ?
C2_6 C1_6 C3_6 108.7(6) . . ?
C4_6 C1_6 C3_6 108.9(6) . . ?
F3_6 C2_6 F1_6 107.4(8) . . ?
F3_6 C2_6 F2_6 107.7(8) . . ?
F1_6 C2_6 F2_6 108.9(8) . . ?
F3_6 C2_6 C1_6 112.4(7) . . ?
F1_6 C2_6 C1_6 109.6(7) . . ?
F2_6 C2_6 C1_6 110.7(7) . . ?
F4_6 C3_6 F6_6 103.3(8) . . ?
F4_6 C3_6 F5_6 106.0(7) . . ?
F6_6 C3_6 F5_6 107.3(8) . . ?
F4_6 C3_6 C1_6 116.3(8) . . ?
F6_6 C3_6 C1_6 112.6(7) . . ?
F5_6 C3_6 C1_6 110.7(7) . . ?
F8_6 C4_6 F7_6 108.0(7) . . ?
F8_6 C4_6 F9_6 107.4(7) . . ?
F7_6 C4_6 F9_6 104.8(7) . . ?
F8_6 C4_6 C1_6 112.9(7) . . ?
F7_6 C4_6 C1_6 112.4(7) . . ?
F9_6 C4_6 C1_6 110.9(7) . . ?
C1_7 O1_7 Al4 151.2(4) . . ?
O1_7 C1_7 C4_7 110.4(6) . . ?
O1_7 C1_7 C2_7 109.0(5) . . ?
C4_7 C1_7 C2_7 109.1(5) . . ?
O1_7 C1_7 C3_7 111.1(5) . . ?
C4_7 C1_7 C3_7 108.6(5) . . ?
C2_7 C1_7 C3_7 108.4(5) . . ?
F3_7 C2_7 F2_7 107.2(6) . . ?
F3_7 C2_7 F1_7 107.3(6) . . ?
F2_7 C2_7 F1_7 108.4(6) . . ?
F3_7 C2_7 C1_7 111.4(5) . . ?
F2_7 C2_7 C1_7 112.6(5) . . ?
F1_7 C2_7 C1_7 109.7(5) . . ?
F5_7 C3_7 F4_7 107.6(5) . . ?
F5_7 C3_7 F6_7 109.0(5) . . ?
F4_7 C3_7 F6_7 106.1(5) . . ?
F5_7 C3_7 C1_7 111.0(5) . . ?
F4_7 C3_7 C1_7 110.2(5) . . ?
F6_7 C3_7 C1_7 112.7(5) . . ?
F8_7 C4_7 F9_7 107.6(7) . . ?
F8_7 C4_7 F7_7 107.7(7) . . ?
F9_7 C4_7 F7_7 106.7(7) . . ?
F8_7 C4_7 C1_7 112.5(6) . . ?
F9_7 C4_7 C1_7 110.6(6) . . ?
F7_7 C4_7 C1_7 111.4(6) . . ?
C1_8 O1_8 Al4 150.1(12) . . ?
O1_8 C1_8 C3_8 109.2(10) . . ?
O1_8 C1_8 C2_8 111.2(10) . . ?
C3_8 C1_8 C2_8 108.5(8) . . ?
O1_8 C1_8 C4_8 111.1(10) . . ?
C3_8 C1_8 C4_8 109.2(9) . . ?
C2_8 C1_8 C4_8 107.6(8) . . ?
F2_8 C2_8 F3_8 106.5(10) . . ?
F2_8 C2_8 F1_8 105.4(10) . . ?
F3_8 C2_8 F1_8 108.4(10) . . ?
F2_8 C2_8 C1_8 115.4(10) . . ?
F3_8 C2_8 C1_8 111.2(9) . . ?
F1_8 C2_8 C1_8 109.6(8) . . ?
F4_8 C3_8 F5_8 108.3(12) . . ?
F4_8 C3_8 F6_8 106.1(12) . . ?
F5_8 C3_8 F6_8 106.7(12) . . ?
F4_8 C3_8 C1_8 111.4(10) . . ?
F5_8 C3_8 C1_8 112.7(10) . . ?
F6_8 C3_8 C1_8 111.3(10) . . ?
F7_8 C4_8 F8_8 108.4(10) . . ?
F7_8 C4_8 F9_8 104.5(12) . . ?
F8_8 C4_8 F9_8 108.4(13) . . ?
F7_8 C4_8 C1_8 109.9(9) . . ?
F8_8 C4_8 C1_8 113.2(10) . . ?
F9_8 C4_8 C1_8 112.1(10) . . ?
C1_9 O1_9 Al4 149.8(9) . . ?
O1_9 C1_9 C2_9 110.9(10) . . ?
O1_9 C1_9 C4_9 107.9(9) . . ?
C2_9 C1_9 C4_9 110.4(9) . . ?
O1_9 C1_9 C3_9 111.5(9) . . ?
C2_9 C1_9 C3_9 106.8(9) . . ?
C4_9 C1_9 C3_9 109.3(9) . . ?
F3_9 C2_9 F2_9 108.4(11) . . ?
F3_9 C2_9 F1_9 108.6(12) . . ?
F2_9 C2_9 F1_9 108.3(12) . . ?
F3_9 C2_9 C1_9 110.9(10) . . ?
F2_9 C2_9 C1_9 111.3(10) . . ?
F1_9 C2_9 C1_9 109.3(11) . . ?
F6_9 C3_9 F4_9 105.6(11) . . ?
F6_9 C3_9 F5_9 113.2(12) . . ?
F4_9 C3_9 F5_9 108.9(12) . . ?
F6_9 C3_9 C1_9 111.5(11) . . ?
F4_9 C3_9 C1_9 108.6(10) . . ?
F5_9 C3_9 C1_9 108.9(10) . . ?
F8_9 C4_9 F7_9 110.5(12) . . ?
F8_9 C4_9 F9_9 104.9(11) . . ?
F7_9 C4_9 F9_9 112.2(12) . . ?
F8_9 C4_9 C1_9 113.2(10) . . ?
F7_9 C4_9 C1_9 107.5(10) . . ?
F9_9 C4_9 C1_9 108.6(10) . . ?
C1_10 O1_10 Al7 152.1(17) . . ?
O1_10 C1_10 C2_10 108.9(11) . . ?
O1_10 C1_10 C3_10 108.0(11) . . ?
C2_10 C1_10 C3_10 109.8(8) . . ?
O1_10 C1_10 C4_10 111.2(11) . . ?
C2_10 C1_10 C4_10 109.2(8) . . ?
C3_10 C1_10 C4_10 109.7(8) . . ?
F2_10 C2_10 F3_10 105.9(10) . . ?
F2_10 C2_10 F1_10 109.4(12) . . ?
F3_10 C2_10 F1_10 107.9(9) . . ?
F2_10 C2_10 C1_10 112.7(10) . . ?
F3_10 C2_10 C1_10 111.5(8) . . ?
F1_10 C2_10 C1_10 109.3(9) . . ?
F4_10 C3_10 F6_10 107.2(11) . . ?
F4_10 C3_10 F5_10 108.9(10) . . ?
F6_10 C3_10 F5_10 107.5(11) . . ?
F4_10 C3_10 C1_10 110.8(9) . . ?
F6_10 C3_10 C1_10 111.4(11) . . ?
F5_10 C3_10 C1_10 110.9(9) . . ?
F9_10 C4_10 F8_10 106.2(10) . . ?
F9_10 C4_10 F7_10 110.3(10) . . ?
F8_10 C4_10 F7_10 108.0(12) . . ?
F9_10 C4_10 C1_10 111.0(8) . . ?
F8_10 C4_10 C1_10 112.3(10) . . ?
F7_10 C4_10 C1_10 109.0(10) . . ?
C1_11 O1_11 Al3 153.3(6) . . ?
O1_11 C1_11 C2_11 110.2(6) . . ?
O1_11 C1_11 C4_11 108.8(7) . . ?
C2_11 C1_11 C4_11 110.1(7) . . ?
O1_11 C1_11 C3_11 112.5(6) . . ?
C2_11 C1_11 C3_11 107.1(7) . . ?
C4_11 C1_11 C3_11 108.1(7) . . ?
F3_11 C2_11 F2_11 107.7(9) . . ?
F3_11 C2_11 F1_11 105.6(9) . . ?
F2_11 C2_11 F1_11 108.5(9) . . ?
F3_11 C2_11 C1_11 113.0(8) . . ?
F2_11 C2_11 C1_11 113.3(8) . . ?
F1_11 C2_11 C1_11 108.3(8) . . ?
F4_11 C3_11 F6_11 106.8(9) . . ?
F4_11 C3_11 F5_11 111.3(10) . . ?
F6_11 C3_11 F5_11 111.7(9) . . ?
F4_11 C3_11 C1_11 110.2(8) . . ?
F6_11 C3_11 C1_11 110.6(8) . . ?
F5_11 C3_11 C1_11 106.2(8) . . ?
F9_11 C4_11 F8_11 105.9(10) . . ?
F9_11 C4_11 F7_11 111.5(12) . . ?
F8_11 C4_11 F7_11 107.5(9) . . ?
F9_11 C4_11 C1_11 112.7(8) . . ?
F8_11 C4_11 C1_11 112.7(9) . . ?
F7_11 C4_11 C1_11 106.6(8) . . ?
C1_12 O1_12 Al1 149.2(8) . . ?
O1_12 C1_12 C4_12 108.8(8) . . ?
O1_12 C1_12 C2_12 110.5(9) . . ?
C4_12 C1_12 C2_12 111.4(8) . . ?
O1_12 C1_12 C3_12 112.5(8) . . ?
C4_12 C1_12 C3_12 107.8(7) . . ?
C2_12 C1_12 C3_12 105.8(8) . . ?
F2_12 C2_12 F3_12 103.9(11) . . ?
F2_12 C2_12 F1_12 107.4(11) . . ?
F3_12 C2_12 F1_12 112.6(12) . . ?
F2_12 C2_12 C1_12 114.8(10) . . ?
F3_12 C2_12 C1_12 107.7(9) . . ?
F1_12 C2_12 C1_12 110.4(9) . . ?
F5_12 C3_12 F4_12 107.9(10) . . ?
F5_12 C3_12 F6_12 108.0(10) . . ?
F4_12 C3_12 F6_12 107.6(10) . . ?
F5_12 C3_12 C1_12 111.9(8) . . ?
F4_12 C3_12 C1_12 110.9(9) . . ?
F6_12 C3_12 C1_12 110.4(9) . . ?
F7_12 C4_12 F8_12 105.2(9) . . ?
F7_12 C4_12 F9_12 107.5(9) . . ?
F8_12 C4_12 F9_12 108.3(9) . . ?
F7_12 C4_12 C1_12 112.5(9) . . ?
F8_12 C4_12 C1_12 112.6(8) . . ?
F9_12 C4_12 C1_12 110.4(8) . . ?
C1_13 O1_13 Al1 151.6(16) . . ?
O1_13 C1_13 C4_13 111.8(12) . . ?
O1_13 C1_13 C2_13 107.9(11) . . ?
C4_13 C1_13 C2_13 108.7(10) . . ?
O1_13 C1_13 C3_13 110.4(12) . . ?
C4_13 C1_13 C3_13 109.2(10) . . ?
C2_13 C1_13 C3_13 108.8(10) . . ?
F3_13 C2_13 F2_13 111.1(15) . . ?
F3_13 C2_13 F1_13 101.4(14) . . ?
F2_13 C2_13 F1_13 110.5(14) . . ?
F3_13 C2_13 C1_13 110.9(12) . . ?
F2_13 C2_13 C1_13 110.6(11) . . ?
F1_13 C2_13 C1_13 112.0(12) . . ?
F6_13 C3_13 F5_13 109.0(14) . . ?
F6_13 C3_13 F4_13 109.1(13) . . ?
F5_13 C3_13 F4_13 105.2(13) . . ?
F6_13 C3_13 C1_13 113.2(11) . . ?
F5_13 C3_13 C1_13 110.8(12) . . ?
F4_13 C3_13 C1_13 109.3(11) . . ?
F8_13 C4_13 F7_13 107.2(13) . . ?
F8_13 C4_13 F9_13 111.0(14) . . ?
F7_13 C4_13 F9_13 100.6(13) . . ?
F8_13 C4_13 C1_13 113.6(11) . . ?
F7_13 C4_13 C1_13 111.0(11) . . ?
F9_13 C4_13 C1_13 112.5(12) . . ?
C1_14 O1_14 Al2 146.4(12) . . ?
O1_14 C1_14 C4_14 105.8(9) . . ?
O1_14 C1_14 C3_14 113.1(9) . . ?
C4_14 C1_14 C3_14 110.9(8) . . ?
O1_14 C1_14 C2_14 110.8(9) . . ?
C4_14 C1_14 C2_14 108.6(7) . . ?
C3_14 C1_14 C2_14 107.6(7) . . ?
F2_14 C2_14 F3_14 108.2(9) . . ?
F2_14 C2_14 F1_14 107.8(9) . . ?
F3_14 C2_14 F1_14 107.3(9) . . ?
F2_14 C2_14 C1_14 112.9(8) . . ?
F3_14 C2_14 C1_14 109.5(8) . . ?
F1_14 C2_14 C1_14 110.9(9) . . ?
F5_14 C3_14 F6_14 109.0(10) . . ?
F5_14 C3_14 F4_14 105.9(10) . . ?
F6_14 C3_14 F4_14 103.3(10) . . ?
F5_14 C3_14 C1_14 111.7(8) . . ?
F6_14 C3_14 C1_14 114.7(8) . . ?
F4_14 C3_14 C1_14 111.5(9) . . ?
F9_14 C4_14 F7_14 104.6(9) . . ?
F9_14 C4_14 F8_14 107.2(10) . . ?
F7_14 C4_14 F8_14 106.6(10) . . ?
F9_14 C4_14 C1_14 112.6(8) . . ?
F7_14 C4_14 C1_14 112.8(8) . . ?
F8_14 C4_14 C1_14 112.5(9) . . ?
C1_15 O1_15 Al7 143.8(9) . . ?
O1_15 C1_15 C4_15 107.1(8) . . ?
O1_15 C1_15 C3_15 108.9(8) . . ?
C4_15 C1_15 C3_15 109.6(7) . . ?
O1_15 C1_15 C2_15 111.9(7) . . ?
C4_15 C1_15 C2_15 109.3(7) . . ?
C3_15 C1_15 C2_15 110.0(7) . . ?
F3_15 C2_15 F2_15 108.1(9) . . ?
F3_15 C2_15 F1_15 106.6(9) . . ?
F2_15 C2_15 F1_15 107.0(10) . . ?
F3_15 C2_15 C1_15 111.4(8) . . ?
F2_15 C2_15 C1_15 113.4(8) . . ?
F1_15 C2_15 C1_15 110.0(8) . . ?
F4_15 C3_15 F6_15 106.4(9) . . ?
F4_15 C3_15 F5_15 108.2(9) . . ?
F6_15 C3_15 F5_15 107.1(9) . . ?
F4_15 C3_15 C1_15 112.4(7) . . ?
F6_15 C3_15 C1_15 113.0(9) . . ?
F5_15 C3_15 C1_15 109.6(7) . . ?
F9_15 C4_15 F8_15 107.7(10) . . ?
F9_15 C4_15 F7_15 108.8(9) . . ?
F8_15 C4_15 F7_15 106.6(10) . . ?
F9_15 C4_15 C1_15 111.6(7) . . ?
F8_15 C4_15 C1_15 112.5(8) . . ?
F7_15 C4_15 C1_15 109.5(7) . . ?
C1_16 O1_16 Al3 153.3(5) . . ?
O1_16 C1_16 C3_16 113.5(6) . . ?
O1_16 C1_16 C4_16 113.3(7) . . ?
C3_16 C1_16 C4_16 106.4(8) . . ?
O1_16 C1_16 C2_16 109.4(7) . . ?
C3_16 C1_16 C2_16 108.6(8) . . ?
C4_16 C1_16 C2_16 105.2(8) . . ?
F2_16 C2_16 F1_16 112.1(12) . . ?
F2_16 C2_16 F3_16 101.7(12) . . ?
F1_16 C2_16 F3_16 116.4(13) . . ?
F2_16 C2_16 C1_16 112.1(10) . . ?
F1_16 C2_16 C1_16 107.2(9) . . ?
F3_16 C2_16 C1_16 107.1(9) . . ?
F6_16 C3_16 F5_16 111.3(11) . . ?
F6_16 C3_16 F4_16 105.8(11) . . ?
F5_16 C3_16 F4_16 106.5(10) . . ?
F6_16 C3_16 C1_16 113.6(8) . . ?
F5_16 C3_16 C1_16 112.3(9) . . ?
F4_16 C3_16 C1_16 106.7(8) . . ?
F9_16 C4_16 F8_16 103.5(10) . . ?
F9_16 C4_16 F7_16 111.2(11) . . ?
F8_16 C4_16 F7_16 119.6(12) . . ?
F9_16 C4_16 C1_16 109.3(9) . . ?
F8_16 C4_16 C1_16 108.1(9) . . ?
F7_16 C4_16 C1_16 104.9(8) . . ?
C1_17 O1_17 Al6 146.3(8) . . ?
O1_17 C1_17 C3_17 110.8(8) . . ?
O1_17 C1_17 C2_17 109.5(8) . . ?
C3_17 C1_17 C2_17 110.6(9) . . ?
O1_17 C1_17 C4_17 108.5(8) . . ?
C3_17 C1_17 C4_17 108.3(8) . . ?
C2_17 C1_17 C4_17 109.2(9) . . ?
F2_17 C2_17 F3_17 105.0(12) . . ?
F2_17 C2_17 F1_17 111.7(13) . . ?
F3_17 C2_17 F1_17 106.9(12) . . ?
F2_17 C2_17 C1_17 112.6(10) . . ?
F3_17 C2_17 C1_17 110.0(10) . . ?
F1_17 C2_17 C1_17 110.4(10) . . ?
F4_17 C3_17 F6_17 108.8(10) . . ?
F4_17 C3_17 F5_17 108.9(12) . . ?
F6_17 C3_17 F5_17 107.8(10) . . ?
F4_17 C3_17 C1_17 110.4(9) . . ?
F6_17 C3_17 C1_17 113.8(9) . . ?
F5_17 C3_17 C1_17 106.9(10) . . ?
F7_17 C4_17 F8_17 109.6(11) . . ?
F7_17 C4_17 F9_17 110.6(11) . . ?
F8_17 C4_17 F9_17 105.2(10) . . ?
F7_17 C4_17 C1_17 110.2(9) . . ?
F8_17 C4_17 C1_17 109.9(10) . . ?
F9_17 C4_17 C1_17 111.1(9) . . ?
C1_18 O1_18 Al1 148.0(8) . . ?
O1_18 C1_18 C2_18 111.7(8) . . ?
O1_18 C1_18 C3_18 106.0(8) . . ?
C2_18 C1_18 C3_18 111.9(8) . . ?
O1_18 C1_18 C4_18 111.1(9) . . ?
C2_18 C1_18 C4_18 107.4(8) . . ?
C3_18 C1_18 C4_18 108.8(8) . . ?
F1_18 C2_18 F3_18 106.1(10) . . ?
F1_18 C2_18 F2_18 107.4(11) . . ?
F3_18 C2_18 F2_18 107.1(12) . . ?
F1_18 C2_18 C1_18 113.5(9) . . ?
F3_18 C2_18 C1_18 111.0(9) . . ?
F2_18 C2_18 C1_18 111.4(10) . . ?
F6_18 C3_18 F4_18 109.4(9) . . ?
F6_18 C3_18 F5_18 104.9(10) . . ?
F4_18 C3_18 F5_18 107.3(10) . . ?
F6_18 C3_18 C1_18 113.2(9) . . ?
F4_18 C3_18 C1_18 111.3(8) . . ?
F5_18 C3_18 C1_18 110.4(9) . . ?
F8_18 C4_18 F7_18 108.4(11) . . ?
F8_18 C4_18 F9_18 107.1(9) . . ?
F7_18 C4_18 F9_18 107.7(11) . . ?
F8_18 C4_18 C1_18 113.6(9) . . ?
F7_18 C4_18 C1_18 110.0(9) . . ?
F9_18 C4_18 C1_18 109.8(8) . . ?
C1_19 O1_19 Al4 149.8(7) . . ?
O1_19 C1_19 C3_19 109.4(7) . . ?
O1_19 C1_19 C4_19 110.1(8) . . ?
C3_19 C1_19 C4_19 110.1(7) . . ?
O1_19 C1_19 C2_19 110.4(7) . . ?
C3_19 C1_19 C2_19 108.9(7) . . ?
C4_19 C1_19 C2_19 107.9(7) . . ?
F1_19 C2_19 F3_19 109.2(9) . . ?
F1_19 C2_19 F2_19 106.7(8) . . ?
F3_19 C2_19 F2_19 107.4(8) . . ?
F1_19 C2_19 C1_19 111.1(7) . . ?
F3_19 C2_19 C1_19 110.0(8) . . ?
F2_19 C2_19 C1_19 112.3(8) . . ?
F6_19 C3_19 F5_19 106.6(9) . . ?
F6_19 C3_19 F4_19 107.0(10) . . ?
F5_19 C3_19 F4_19 108.8(9) . . ?
F6_19 C3_19 C1_19 112.7(8) . . ?
F5_19 C3_19 C1_19 111.4(8) . . ?
F4_19 C3_19 C1_19 110.3(9) . . ?
F8_19 C4_19 F9_19 106.0(9) . . ?
F8_19 C4_19 F7_19 105.6(10) . . ?
F9_19 C4_19 F7_19 109.7(9) . . ?
F8_19 C4_19 C1_19 113.8(8) . . ?
F9_19 C4_19 C1_19 112.0(8) . . ?
F7_19 C4_19 C1_19 109.6(8) . . ?
C1_20 O1_20 Al6 164.1(18) . . ?
O1_20 C1_20 C3_20 114.7(12) . . ?
O1_20 C1_20 C4_20 105.8(13) . . ?
C3_20 C1_20 C4_20 112.4(11) . . ?
O1_20 C1_20 C2_20 104.3(12) . . ?
C3_20 C1_20 C2_20 108.0(10) . . ?
C4_20 C1_20 C2_20 111.4(11) . . ?
F2_20 C2_20 F3_20 110.5(15) . . ?
F2_20 C2_20 F1_20 115.1(16) . . ?
F3_20 C2_20 F1_20 105.8(14) . . ?
F2_20 C2_20 C1_20 106.0(13) . . ?
F3_20 C2_20 C1_20 109.4(13) . . ?
F1_20 C2_20 C1_20 110.0(12) . . ?
F4_20 C3_20 F5_20 108.4(15) . . ?
F4_20 C3_20 F6_20 106.6(16) . . ?
F5_20 C3_20 F6_20 106.4(16) . . ?
F4_20 C3_20 C1_20 111.5(13) . . ?
F5_20 C3_20 C1_20 111.5(12) . . ?
F6_20 C3_20 C1_20 112.2(15) . . ?
F8_20 C4_20 F9_20 109.7(15) . . ?
F8_20 C4_20 F7_20 105.7(15) . . ?
F9_20 C4_20 F7_20 114.3(15) . . ?
F8_20 C4_20 C1_20 113.3(13) . . ?
F9_20 C4_20 C1_20 106.6(11) . . ?
F7_20 C4_20 C1_20 107.3(12) . . ?
C1_21 O1_21 Al6 164.6(17) . . ?
O1_21 C1_21 C3_21 110.3(12) . . ?
O1_21 C1_21 C2_21 106.1(12) . . ?
C3_21 C1_21 C2_21 109.8(10) . . ?
O1_21 C1_21 C4_21 112.9(13) . . ?
C3_21 C1_21 C4_21 110.7(11) . . ?
C2_21 C1_21 C4_21 106.9(10) . . ?
F2_21 C2_21 F1_21 107.3(13) . . ?
F2_21 C2_21 F3_21 110.7(15) . . ?
F1_21 C2_21 F3_21 105.4(15) . . ?
F2_21 C2_21 C1_21 109.6(12) . . ?
F1_21 C2_21 C1_21 110.5(12) . . ?
F3_21 C2_21 C1_21 113.1(13) . . ?
F5_21 C3_21 F6_21 109.9(15) . . ?
F5_21 C3_21 F4_21 112.2(15) . . ?
F6_21 C3_21 F4_21 107.7(15) . . ?
F5_21 C3_21 C1_21 110.3(11) . . ?
F6_21 C3_21 C1_21 109.2(13) . . ?
F4_21 C3_21 C1_21 107.3(12) . . ?
F7_21 C4_21 F9_21 116.6(16) . . ?
F7_21 C4_21 F8_21 109.6(16) . . ?
F9_21 C4_21 F8_21 100.7(14) . . ?
F7_21 C4_21 C1_21 108.0(12) . . ?
F9_21 C4_21 C1_21 110.5(12) . . ?
F8_21 C4_21 C1_21 111.2(14) . . ?
C1_22 O1_22 Al3 148.9(5) . . ?
O1_22 C1_22 C3_22 109.7(6) . . ?
O1_22 C1_22 C2_22 111.1(6) . . ?
C3_22 C1_22 C2_22 107.9(6) . . ?
O1_22 C1_22 C4_22 108.4(6) . . ?
C3_22 C1_22 C4_22 109.9(6) . . ?
C2_22 C1_22 C4_22 109.8(6) . . ?
F2_22 C2_22 F3_22 108.5(7) . . ?
F2_22 C2_22 F1_22 107.9(7) . . ?
F3_22 C2_22 F1_22 107.0(7) . . ?
F2_22 C2_22 C1_22 112.9(7) . . ?
F3_22 C2_22 C1_22 110.7(6) . . ?
F1_22 C2_22 C1_22 109.6(7) . . ?
F4_22 C3_22 F5_22 107.3(9) . . ?
F4_22 C3_22 F6_22 107.7(8) . . ?
F5_22 C3_22 F6_22 111.4(8) . . ?
F4_22 C3_22 C1_22 110.2(7) . . ?
F5_22 C3_22 C1_22 110.4(7) . . ?
F6_22 C3_22 C1_22 109.9(7) . . ?
F8_22 C4_22 F7_22 113.0(9) . . ?
F8_22 C4_22 F9_22 104.3(8) . . ?
F7_22 C4_22 F9_22 108.7(8) . . ?
F8_22 C4_22 C1_22 111.6(7) . . ?
F7_22 C4_22 C1_22 108.8(8) . . ?
F9_22 C4_22 C1_22 110.4(7) . . ?
C1_23 O1_23 Al3 149.7(8) . . ?
O1_23 C1_23 C3_23 111.9(8) . . ?
O1_23 C1_23 C2_23 107.0(7) . . ?
C3_23 C1_23 C2_23 110.1(8) . . ?
O1_23 C1_23 C4_23 110.1(8) . . ?
C3_23 C1_23 C4_23 108.5(7) . . ?
C2_23 C1_23 C4_23 109.2(7) . . ?
F3_23 C2_23 F1_23 109.0(9) . . ?
F3_23 C2_23 F2_23 106.7(8) . . ?
F1_23 C2_23 F2_23 106.5(9) . . ?
F3_23 C2_23 C1_23 111.8(8) . . ?
F1_23 C2_23 C1_23 111.4(7) . . ?
F2_23 C2_23 C1_23 111.2(8) . . ?
F5_23 C3_23 F4_23 111.2(10) . . ?
F5_23 C3_23 F6_23 105.9(10) . . ?
F4_23 C3_23 F6_23 108.3(10) . . ?
F5_23 C3_23 C1_23 108.8(9) . . ?
F4_23 C3_23 C1_23 110.4(8) . . ?
F6_23 C3_23 C1_23 112.2(9) . . ?
F8_23 C4_23 F9_23 107.4(8) . . ?
F8_23 C4_23 F7_23 106.8(8) . . ?
F9_23 C4_23 F7_23 105.7(8) . . ?
F8_23 C4_23 C1_23 116.3(8) . . ?
F9_23 C4_23 C1_23 110.5(7) . . ?
F7_23 C4_23 C1_23 109.5(7) . . ?
C1_24 O1_24 Al5 152.3(7) . . ?
O1_24 C1_24 C3_24 110.7(8) . . ?
O1_24 C1_24 C2_24 109.9(7) . . ?
C3_24 C1_24 C2_24 109.9(7) . . ?
O1_24 C1_24 C4_24 106.9(7) . . ?
C3_24 C1_24 C4_24 110.1(7) . . ?
C2_24 C1_24 C4_24 109.4(7) . . ?
F3_24 C2_24 F2_24 107.8(8) . . ?
F3_24 C2_24 F1_24 107.4(10) . . ?
F2_24 C2_24 F1_24 107.8(9) . . ?
F3_24 C2_24 C1_24 109.8(8) . . ?
F2_24 C2_24 C1_24 111.8(8) . . ?
F1_24 C2_24 C1_24 112.1(8) . . ?
F4_24 C3_24 F6_24 109.3(9) . . ?
F4_24 C3_24 F5_24 106.8(9) . . ?
F6_24 C3_24 F5_24 105.9(9) . . ?
F4_24 C3_24 C1_24 112.1(8) . . ?
F6_24 C3_24 C1_24 111.1(8) . . ?
F5_24 C3_24 C1_24 111.4(8) . . ?
F7_24 C4_24 F8_24 107.5(10) . . ?
F7_24 C4_24 F9_24 105.8(10) . . ?
F8_24 C4_24 F9_24 107.2(9) . . ?
F7_24 C4_24 C1_24 111.5(9) . . ?
F8_24 C4_24 C1_24 112.7(8) . . ?
F9_24 C4_24 C1_24 111.9(8) . . ?
C1_25 O1_25 Al7 150.7(5) . . ?
O1_25 C1_25 C4_25 110.5(5) . . ?
O1_25 C1_25 C2_25 111.1(5) . . ?
C4_25 C1_25 C2_25 109.6(5) . . ?
O1_25 C1_25 C3_25 107.4(5) . . ?
C4_25 C1_25 C3_25 109.7(5) . . ?
C2_25 C1_25 C3_25 108.5(6) . . ?
F3_25 C2_25 F1_25 107.3(6) . . ?
F3_25 C2_25 F2_25 107.3(6) . . ?
F1_25 C2_25 F2_25 107.4(6) . . ?
F3_25 C2_25 C1_25 113.0(6) . . ?
F1_25 C2_25 C1_25 110.2(6) . . ?
F2_25 C2_25 C1_25 111.4(6) . . ?
F6_25 C3_25 F4_25 108.3(6) . . ?
F6_25 C3_25 F5_25 108.8(6) . . ?
F4_25 C3_25 F5_25 106.9(6) . . ?
F6_25 C3_25 C1_25 111.9(6) . . ?
F4_25 C3_25 C1_25 110.5(6) . . ?
F5_25 C3_25 C1_25 110.3(5) . . ?
F8_25 C4_25 F7_25 105.6(6) . . ?
F8_25 C4_25 F9_25 107.1(6) . . ?
F7_25 C4_25 F9_25 108.1(6) . . ?
F8_25 C4_25 C1_25 113.8(6) . . ?
F7_25 C4_25 C1_25 111.1(6) . . ?
F9_25 C4_25 C1_25 110.8(5) . . ?
C1_26 O1_26 Al1 155.3(8) . . ?
O1_26 C1_26 C3_26 111.1(9) . . ?
O1_26 C1_26 C2_26 113.8(10) . . ?
C3_26 C1_26 C2_26 109.3(9) . . ?
O1_26 C1_26 C4_26 105.4(8) . . ?
C3_26 C1_26 C4_26 109.1(9) . . ?
C2_26 C1_26 C4_26 108.0(9) . . ?
F3_26 C2_26 F2_26 106.1(14) . . ?
F3_26 C2_26 F1_26 107.1(14) . . ?
F2_26 C2_26 F1_26 109.8(14) . . ?
F3_26 C2_26 C1_26 113.3(11) . . ?
F2_26 C2_26 C1_26 110.3(11) . . ?
F1_26 C2_26 C1_26 110.2(11) . . ?
F6_26 C3_26 F5_26 106.5(11) . . ?
F6_26 C3_26 F4_26 105.2(13) . . ?
F5_26 C3_26 F4_26 110.6(14) . . ?
F6_26 C3_26 C1_26 112.1(11) . . ?
F5_26 C3_26 C1_26 110.4(10) . . ?
F4_26 C3_26 C1_26 111.8(10) . . ?
F9_26 C4_26 F8_26 109.0(11) . . ?
F9_26 C4_26 F7_26 101.2(11) . . ?
F8_26 C4_26 F7_26 107.8(13) . . ?
F9_26 C4_26 C1_26 111.2(9) . . ?
F8_26 C4_26 C1_26 114.0(10) . . ?
F7_26 C4_26 C1_26 112.8(10) . . ?
C1_27 P1_27 C13_27 108.0(8) . . ?
C1_27 P1_27 C7_27 107.0(7) . . ?
C13_27 P1_27 C7_27 103.7(7) . . ?
C1_27 P1_27 Ga4 115.5(7) . . ?
C13_27 P1_27 Ga4 105.8(6) . . ?
C7_27 P1_27 Ga4 116.0(6) . . ?
C15_27 P2_27 C21_27 114.2(8) . . ?
C15_27 P2_27 C14_27 104.4(6) . . ?
C21_27 P2_27 C14_27 106.4(7) . . ?
C15_27 P2_27 Ga4 119.5(5) . . ?
C21_27 P2_27 Ga4 106.4(7) . . ?
C14_27 P2_27 Ga4 104.8(5) . . ?
C2_27 C1_27 C6_27 115.4(9) . . ?
C2_27 C1_27 P1_27 114.8(8) . . ?
C6_27 C1_27 P1_27 112.0(8) . . ?
C2_27 C1_27 H1_27 104.3 . . ?
C6_27 C1_27 H1_27 104.3 . . ?
P1_27 C1_27 H1_27 104.3 . . ?
C1_27 C2_27 C3_27 112.2(8) . . ?
C1_27 C2_27 H2A_27 109.2 . . ?
C3_27 C2_27 H2A_27 109.2 . . ?
C1_27 C2_27 H2B_27 109.2 . . ?
C3_27 C2_27 H2B_27 109.2 . . ?
H2A_27 C2_27 H2B_27 107.9 . . ?
C4_27 C3_27 C2_27 110.5(9) . . ?
C4_27 C3_27 H3A_27 109.5 . . ?
C2_27 C3_27 H3A_27 109.5 . . ?
C4_27 C3_27 H3B_27 109.5 . . ?
C2_27 C3_27 H3B_27 109.5 . . ?
H3A_27 C3_27 H3B_27 108.1 . . ?
C5_27 C4_27 C3_27 112.9(10) . . ?
C5_27 C4_27 H4A_27 109.0 . . ?
C3_27 C4_27 H4A_27 109.0 . . ?
C5_27 C4_27 H4B_27 109.0 . . ?
C3_27 C4_27 H4B_27 109.0 . . ?
H4A_27 C4_27 H4B_27 107.8 . . ?
C4_27 C5_27 C6_27 114.3(9) . . ?
C4_27 C5_27 H5A_27 108.7 . . ?
C6_27 C5_27 H5A_27 108.7 . . ?
C4_27 C5_27 H5B_27 108.7 . . ?
C6_27 C5_27 H5B_27 108.7 . . ?
H5A_27 C5_27 H5B_27 107.6 . . ?
C1_27 C6_27 C5_27 114.6(9) . . ?
C1_27 C6_27 H6A_27 108.6 . . ?
C5_27 C6_27 H6A_27 108.6 . . ?
C1_27 C6_27 H6B_27 108.6 . . ?
C5_27 C6_27 H6B_27 108.6 . . ?
H6A_27 C6_27 H6B_27 107.6 . . ?
C12_27 C7_27 C8_27 110.3(8) . . ?
C12_27 C7_27 P1_27 111.2(9) . . ?
C8_27 C7_27 P1_27 112.9(9) . . ?
C12_27 C7_27 H7_27 107.4 . . ?
C8_27 C7_27 H7_27 107.4 . . ?
P1_27 C7_27 H7_27 107.4 . . ?
C9_27 C8_27 C7_27 110.5(9) . . ?
C9_27 C8_27 H8A_27 109.6 . . ?
C7_27 C8_27 H8A_27 109.6 . . ?
C9_27 C8_27 H8B_27 109.6 . . ?
C7_27 C8_27 H8B_27 109.6 . . ?
H8A_27 C8_27 H8B_27 108.1 . . ?
C8_27 C9_27 C10_27 111.4(9) . . ?
C8_27 C9_27 H9A_27 109.4 . . ?
C10_27 C9_27 H9A_27 109.4 . . ?
C8_27 C9_27 H9B_27 109.4 . . ?
C10_27 C9_27 H9B_27 109.4 . . ?
H9A_27 C9_27 H9B_27 108.0 . . ?
C11_27 C10_27 C9_27 111.2(8) . . ?
C11_27 C10_27 H10A_27 109.4 . . ?
C9_27 C10_27 H10A_27 109.4 . . ?
C11_27 C10_27 H10B_27 109.4 . . ?
C9_27 C10_27 H10B_27 109.4 . . ?
H10A_27 C10_27 H10B_27 108.0 . . ?
C10_27 C11_27 C12_27 110.3(9) . . ?
C10_27 C11_27 H11A_27 109.6 . . ?
C12_27 C11_27 H11A_27 109.6 . . ?
C10_27 C11_27 H11B_27 109.6 . . ?
C12_27 C11_27 H11B_27 109.6 . . ?
H11A_27 C11_27 H11B_27 108.1 . . ?
C7_27 C12_27 C11_27 110.3(9) . . ?
C7_27 C12_27 H12A_27 109.6 . . ?
C11_27 C12_27 H12A_27 109.6 . . ?
C7_27 C12_27 H12B_27 109.6 . . ?
C11_27 C12_27 H12B_27 109.6 . . ?
H12A_27 C12_27 H12B_27 108.1 . . ?
C14_27 C13_27 P1_27 112.5(9) . . ?
C14_27 C13_27 H13A_27 109.1 . . ?
P1_27 C13_27 H13A_27 109.1 . . ?
C14_27 C13_27 H13B_27 109.1 . . ?
P1_27 C13_27 H13B_27 109.1 . . ?
H13A_27 C13_27 H13B_27 107.8 . . ?
C13_27 C14_27 P2_27 113.1(9) . . ?
C13_27 C14_27 H14A_27 109.0 . . ?
P2_27 C14_27 H14A_27 109.0 . . ?
C13_27 C14_27 H14B_27 109.0 . . ?
P2_27 C14_27 H14B_27 109.0 . . ?
H14A_27 C14_27 H14B_27 107.8 . . ?
C16_27 C15_27 C20_27 109.6(8) . . ?
C16_27 C15_27 P2_27 112.4(6) . . ?
C20_27 C15_27 P2_27 116.7(7) . . ?
C16_27 C15_27 H15_27 105.8 . . ?
C20_27 C15_27 H15_27 105.8 . . ?
P2_27 C15_27 H15_27 105.8 . . ?
C17_27 C16_27 C15_27 110.1(8) . . ?
C17_27 C16_27 H16A_27 109.6 . . ?
C15_27 C16_27 H16A_27 109.6 . . ?
C17_27 C16_27 H16B_27 109.6 . . ?
C15_27 C16_27 H16B_27 109.6 . . ?
H16A_27 C16_27 H16B_27 108.2 . . ?
C18_27 C17_27 C16_27 110.9(8) . . ?
C18_27 C17_27 H17A_27 109.5 . . ?
C16_27 C17_27 H17A_27 109.5 . . ?
C18_27 C17_27 H17B_27 109.5 . . ?
C16_27 C17_27 H17B_27 109.5 . . ?
H17A_27 C17_27 H17B_27 108.0 . . ?
C17_27 C18_27 C19_27 110.6(8) . . ?
C17_27 C18_27 H18A_27 109.5 . . ?
C19_27 C18_27 H18A_27 109.5 . . ?
C17_27 C18_27 H18B_27 109.5 . . ?
C19_27 C18_27 H18B_27 109.5 . . ?
H18A_27 C18_27 H18B_27 108.1 . . ?
C18_27 C19_27 C20_27 109.9(9) . . ?
C18_27 C19_27 H19A_27 109.7 . . ?
C20_27 C19_27 H19A_27 109.7 . . ?
C18_27 C19_27 H19B_27 109.7 . . ?
C20_27 C19_27 H19B_27 109.7 . . ?
H19A_27 C19_27 H19B_27 108.2 . . ?
C19_27 C20_27 C15_27 108.3(9) . . ?
C19_27 C20_27 H20A_27 110.0 . . ?
C15_27 C20_27 H20A_27 110.0 . . ?
C19_27 C20_27 H20B_27 110.0 . . ?
C15_27 C20_27 H20B_27 110.0 . . ?
H20A_27 C20_27 H20B_27 108.4 . . ?
C22_27 C21_27 C26_27 110.9(8) . . ?
C22_27 C21_27 P2_27 111.8(9) . . ?
C26_27 C21_27 P2_27 116.0(9) . . ?
C22_27 C21_27 H21_27 105.8 . . ?
C26_27 C21_27 H21_27 105.8 . . ?
P2_27 C21_27 H21_27 105.8 . . ?
C21_27 C22_27 C23_27 110.8(9) . . ?
C21_27 C22_27 H22A_27 109.5 . . ?
C23_27 C22_27 H22A_27 109.5 . . ?
C21_27 C22_27 H22B_27 109.5 . . ?
C23_27 C22_27 H22B_27 109.5 . . ?
H22A_27 C22_27 H22B_27 108.1 . . ?
C24_27 C23_27 C22_27 110.5(9) . . ?
C24_27 C23_27 H23A_27 109.6 . . ?
C22_27 C23_27 H23A_27 109.6 . . ?
C24_27 C23_27 H23B_27 109.6 . . ?
C22_27 C23_27 H23B_27 109.6 . . ?
H23A_27 C23_27 H23B_27 108.1 . . ?
C25_27 C24_27 C23_27 111.7(9) . . ?
C25_27 C24_27 H24A_27 109.3 . . ?
C23_27 C24_27 H24A_27 109.3 . . ?
C25_27 C24_27 H24B_27 109.3 . . ?
C23_27 C24_27 H24B_27 109.3 . . ?
H24A_27 C24_27 H24B_27 107.9 . . ?
C24_27 C25_27 C26_27 111.6(8) . . ?
C24_27 C25_27 H25A_27 109.3 . . ?
C26_27 C25_27 H25A_27 109.3 . . ?
C24_27 C25_27 H25B_27 109.3 . . ?
C26_27 C25_27 H25B_27 109.3 . . ?
H25A_27 C25_27 H25B_27 108.0 . . ?
C25_27 C26_27 C21_27 109.8(8) . . ?
C25_27 C26_27 H26A_27 109.7 . . ?
C21_27 C26_27 H26A_27 109.7 . . ?
C25_27 C26_27 H26B_27 109.7 . . ?
C21_27 C26_27 H26B_27 109.7 . . ?
H26A_27 C26_27 H26B_27 108.2 . . ?
C1_29 P1_29 C13_29 106.0(3) . . ?
C1_29 P1_29 C7_29 107.7(3) . . ?
C13_29 P1_29 C7_29 106.5(3) . . ?
C1_29 P1_29 Ga5 115.6(2) . . ?
C13_29 P1_29 Ga5 104.8(2) . . ?
C7_29 P1_29 Ga5 115.4(2) . . ?
C14_29 P2_29 C21_29 106.2(3) . . ?
C14_29 P2_29 C15_29 109.2(3) . . ?
C21_29 P2_29 C15_29 108.5(3) . . ?
C14_29 P2_29 Ga5 102.6(2) . . ?
C21_29 P2_29 Ga5 106.56(19) . . ?
C15_29 P2_29 Ga5 122.7(2) . . ?
C6_29 C1_29 C2_29 112.7(6) . . ?
C6_29 C1_29 P1_29 109.9(4) . . ?
C2_29 C1_29 P1_29 111.6(4) . . ?
C6_29 C1_29 H1_29 107.5 . . ?
C2_29 C1_29 H1_29 107.5 . . ?
P1_29 C1_29 H1_29 107.5 . . ?
C1_29 C2_29 C3_29 111.3(6) . . ?
C1_29 C2_29 H2A_29 109.4 . . ?
C3_29 C2_29 H2A_29 109.4 . . ?
C1_29 C2_29 H2B_29 109.4 . . ?
C3_29 C2_29 H2B_29 109.4 . . ?
H2A_29 C2_29 H2B_29 108.0 . . ?
C4_29 C3_29 C2_29 111.1(7) . . ?
C4_29 C3_29 H3A_29 109.4 . . ?
C2_29 C3_29 H3A_29 109.4 . . ?
C4_29 C3_29 H3B_29 109.4 . . ?
C2_29 C3_29 H3B_29 109.4 . . ?
H3A_29 C3_29 H3B_29 108.0 . . ?
C5_29 C4_29 C3_29 111.8(7) . . ?
C5_29 C4_29 H4A_29 109.2 . . ?
C3_29 C4_29 H4A_29 109.2 . . ?
C5_29 C4_29 H4B_29 109.2 . . ?
C3_29 C4_29 H4B_29 109.2 . . ?
H4A_29 C4_29 H4B_29 107.9 . . ?
C4_29 C5_29 C6_29 112.2(6) . . ?
C4_29 C5_29 H5A_29 109.2 . . ?
C6_29 C5_29 H5A_29 109.2 . . ?
C4_29 C5_29 H5B_29 109.2 . . ?
C6_29 C5_29 H5B_29 109.2 . . ?
H5A_29 C5_29 H5B_29 107.9 . . ?
C1_29 C6_29 C5_29 111.3(6) . . ?
C1_29 C6_29 H6A_29 109.4 . . ?
C5_29 C6_29 H6A_29 109.4 . . ?
C1_29 C6_29 H6B_29 109.4 . . ?
C5_29 C6_29 H6B_29 109.4 . . ?
H6A_29 C6_29 H6B_29 108.0 . . ?
C8_29 C7_29 C12_29 111.0(5) . . ?
C8_29 C7_29 P1_29 112.8(4) . . ?
C12_29 C7_29 P1_29 112.6(4) . . ?
C8_29 C7_29 H7_29 106.6 . . ?
C12_29 C7_29 H7_29 106.6 . . ?
P1_29 C7_29 H7_29 106.6 . . ?
C7_29 C8_29 C9_29 110.3(5) . . ?
C7_29 C8_29 H8A_29 109.6 . . ?
C9_29 C8_29 H8A_29 109.6 . . ?
C7_29 C8_29 H8B_29 109.6 . . ?
C9_29 C8_29 H8B_29 109.6 . . ?
H8A_29 C8_29 H8B_29 108.1 . . ?
C10_29 C9_29 C8_29 110.8(6) . . ?
C10_29 C9_29 H9A_29 109.5 . . ?
C8_29 C9_29 H9A_29 109.5 . . ?
C10_29 C9_29 H9B_29 109.5 . . ?
C8_29 C9_29 H9B_29 109.5 . . ?
H9A_29 C9_29 H9B_29 108.1 . . ?
C9_29 C10_29 C11_29 111.9(6) . . ?
C9_29 C10_29 H10A_29 109.2 . . ?
C11_29 C10_29 H10A_29 109.2 . . ?
C9_29 C10_29 H10B_29 109.2 . . ?
C11_29 C10_29 H10B_29 109.2 . . ?
H10A_29 C10_29 H10B_29 107.9 . . ?
C10_29 C11_29 C12_29 110.8(5) . . ?
C10_29 C11_29 H11A_29 109.5 . . ?
C12_29 C11_29 H11A_29 109.5 . . ?
C10_29 C11_29 H11B_29 109.5 . . ?
C12_29 C11_29 H11B_29 109.5 . . ?
H11A_29 C11_29 H11B_29 108.1 . . ?
C7_29 C12_29 C11_29 110.2(5) . . ?
C7_29 C12_29 H12A_29 109.6 . . ?
C11_29 C12_29 H12A_29 109.6 . . ?
C7_29 C12_29 H12B_29 109.6 . . ?
C11_29 C12_29 H12B_29 109.6 . . ?
H12A_29 C12_29 H12B_29 108.1 . . ?
C14_29 C13_29 P1_29 113.0(4) . . ?
C14_29 C13_29 H13A_29 109.0 . . ?
P1_29 C13_29 H13A_29 109.0 . . ?
C14_29 C13_29 H13B_29 109.0 . . ?
P1_29 C13_29 H13B_29 109.0 . . ?
H13A_29 C13_29 H13B_29 107.8 . . ?
C13_29 C14_29 P2_29 111.8(4) . . ?
C13_29 C14_29 H14A_29 109.3 . . ?
P2_29 C14_29 H14A_29 109.3 . . ?
C13_29 C14_29 H14B_29 109.3 . . ?
P2_29 C14_29 H14B_29 109.3 . . ?
H14A_29 C14_29 H14B_29 107.9 . . ?
C20_29 C15_29 C16_29 112.1(5) . . ?
C20_29 C15_29 P2_29 112.8(4) . . ?
C16_29 C15_29 P2_29 110.5(4) . . ?
C20_29 C15_29 H15_29 107.0 . . ?
C16_29 C15_29 H15_29 107.0 . . ?
P2_29 C15_29 H15_29 107.0 . . ?
C17_29 C16_29 C15_29 111.3(5) . . ?
C17_29 C16_29 H16A_29 109.4 . . ?
C15_29 C16_29 H16A_29 109.4 . . ?
C17_29 C16_29 H16B_29 109.4 . . ?
C15_29 C16_29 H16B_29 109.4 . . ?
H16A_29 C16_29 H16B_29 108.0 . . ?
C18_29 C17_29 C16_29 111.4(6) . . ?
C18_29 C17_29 H17A_29 109.4 . . ?
C16_29 C17_29 H17A_29 109.4 . . ?
C18_29 C17_29 H17B_29 109.4 . . ?
C16_29 C17_29 H17B_29 109.4 . . ?
H17A_29 C17_29 H17B_29 108.0 . . ?
C17_29 C18_29 C19_29 112.2(6) . . ?
C17_29 C18_29 H18A_29 109.2 . . ?
C19_29 C18_29 H18A_29 109.2 . . ?
C17_29 C18_29 H18B_29 109.2 . . ?
C19_29 C18_29 H18B_29 109.2 . . ?
H18A_29 C18_29 H18B_29 107.9 . . ?
C20_29 C19_29 C18_29 110.9(6) . . ?
C20_29 C19_29 H19A_29 109.5 . . ?
C18_29 C19_29 H19A_29 109.5 . . ?
C20_29 C19_29 H19B_29 109.5 . . ?
C18_29 C19_29 H19B_29 109.5 . . ?
H19A_29 C19_29 H19B_29 108.1 . . ?
C19_29 C20_29 C15_29 110.9(6) . . ?
C19_29 C20_29 H20A_29 109.5 . . ?
C15_29 C20_29 H20A_29 109.5 . . ?
C19_29 C20_29 H20B_29 109.5 . . ?
C15_29 C20_29 H20B_29 109.5 . . ?
H20A_29 C20_29 H20B_29 108.0 . . ?
C22_29 C21_29 C26_29 111.4(5) . . ?
C22_29 C21_29 P2_29 111.6(4) . . ?
C26_29 C21_29 P2_29 114.0(4) . . ?
C22_29 C21_29 H21_29 106.5 . . ?
C26_29 C21_29 H21_29 106.5 . . ?
P2_29 C21_29 H21_29 106.5 . . ?
C21_29 C22_29 C23_29 110.1(5) . . ?
C21_29 C22_29 H22A_29 109.6 . . ?
C23_29 C22_29 H22A_29 109.6 . . ?
C21_29 C22_29 H22B_29 109.6 . . ?
C23_29 C22_29 H22B_29 109.6 . . ?
H22A_29 C22_29 H22B_29 108.2 . . ?
C24_29 C23_29 C22_29 110.3(5) . . ?
C24_29 C23_29 H23A_29 109.6 . . ?
C22_29 C23_29 H23A_29 109.6 . . ?
C24_29 C23_29 H23B_29 109.6 . . ?
C22_29 C23_29 H23B_29 109.6 . . ?
H23A_29 C23_29 H23B_29 108.1 . . ?
C25_29 C24_29 C23_29 111.7(5) . . ?
C25_29 C24_29 H24A_29 109.3 . . ?
C23_29 C24_29 H24A_29 109.3 . . ?
C25_29 C24_29 H24B_29 109.3 . . ?
C23_29 C24_29 H24B_29 109.3 . . ?
H24A_29 C24_29 H24B_29 107.9 . . ?
C24_29 C25_29 C26_29 111.5(6) . . ?
C24_29 C25_29 H25A_29 109.3 . . ?
C26_29 C25_29 H25A_29 109.3 . . ?
C24_29 C25_29 H25B_29 109.3 . . ?
C26_29 C25_29 H25B_29 109.3 . . ?
H25A_29 C25_29 H25B_29 108.0 . . ?
C25_29 C26_29 C21_29 110.2(5) . . ?
C25_29 C26_29 H26A_29 109.6 . . ?
C21_29 C26_29 H26A_29 109.6 . . ?
C25_29 C26_29 H26B_29 109.6 . . ?
C21_29 C26_29 H26B_29 109.6 . . ?
H26A_29 C26_29 H26B_29 108.1 . . ?
C1_30 P1_30 C13_30 108.2(3) . . ?
C1_30 P1_30 C7_30 108.0(3) . . ?
C13_30 P1_30 C7_30 102.8(3) . . ?
C1_30 P1_30 Ga6 114.1(2) . . ?
C13_30 P1_30 Ga6 103.4(2) . . ?
C7_30 P1_30 Ga6 119.1(2) . . ?
C21_30 P2_30 C15_30 110.8(3) . . ?
C21_30 P2_30 C14_30 109.1(3) . . ?
C15_30 P2_30 C14_30 104.4(3) . . ?
C21_30 P2_30 Ga6 107.9(2) . . ?
C15_30 P2_30 Ga6 120.3(2) . . ?
C14_30 P2_30 Ga6 103.6(2) . . ?
C2_30 C1_30 C6_30 111.1(5) . . ?
C2_30 C1_30 P1_30 113.3(4) . . ?
C6_30 C1_30 P1_30 110.6(4) . . ?
C2_30 C1_30 H1_30 107.2 . . ?
C6_30 C1_30 H1_30 107.2 . . ?
P1_30 C1_30 H1_30 107.2 . . ?
C1_30 C2_30 C3_30 112.1(5) . . ?
C1_30 C2_30 H2A_30 109.2 . . ?
C3_30 C2_30 H2A_30 109.2 . . ?
C1_30 C2_30 H2B_30 109.2 . . ?
C3_30 C2_30 H2B_30 109.2 . . ?
H2A_30 C2_30 H2B_30 107.9 . . ?
C2_30 C3_30 C4_30 111.1(5) . . ?
C2_30 C3_30 H3A_30 109.4 . . ?
C4_30 C3_30 H3A_30 109.4 . . ?
C2_30 C3_30 H3B_30 109.4 . . ?
C4_30 C3_30 H3B_30 109.4 . . ?
H3A_30 C3_30 H3B_30 108.0 . . ?
C5_30 C4_30 C3_30 111.7(5) . . ?
C5_30 C4_30 H4A_30 109.3 . . ?
C3_30 C4_30 H4A_30 109.3 . . ?
C5_30 C4_30 H4B_30 109.3 . . ?
C3_30 C4_30 H4B_30 109.3 . . ?
H4A_30 C4_30 H4B_30 107.9 . . ?
C4_30 C5_30 C6_30 112.3(5) . . ?
C4_30 C5_30 H5A_30 109.1 . . ?
C6_30 C5_30 H5A_30 109.1 . . ?
C4_30 C5_30 H5B_30 109.1 . . ?
C6_30 C5_30 H5B_30 109.1 . . ?
H5A_30 C5_30 H5B_30 107.9 . . ?
C5_30 C6_30 C1_30 111.4(5) . . ?
C5_30 C6_30 H6A_30 109.3 . . ?
C1_30 C6_30 H6A_30 109.3 . . ?
C5_30 C6_30 H6B_30 109.3 . . ?
C1_30 C6_30 H6B_30 109.3 . . ?
H6A_30 C6_30 H6B_30 108.0 . . ?
C12_30 C7_30 C8_30 111.5(5) . . ?
C12_30 C7_30 P1_30 115.0(4) . . ?
C8_30 C7_30 P1_30 114.4(4) . . ?
C12_30 C7_30 H7_30 104.9 . . ?
C8_30 C7_30 H7_30 104.9 . . ?
P1_30 C7_30 H7_30 104.9 . . ?
C9_30 C8_30 C7_30 109.7(5) . . ?
C9_30 C8_30 H8A_30 109.7 . . ?
C7_30 C8_30 H8A_30 109.7 . . ?
C9_30 C8_30 H8B_30 109.7 . . ?
C7_30 C8_30 H8B_30 109.7 . . ?
H8A_30 C8_30 H8B_30 108.2 . . ?
C10_30 C9_30 C8_30 111.4(6) . . ?
C10_30 C9_30 H9A_30 109.4 . . ?
C8_30 C9_30 H9A_30 109.4 . . ?
C10_30 C9_30 H9B_30 109.4 . . ?
C8_30 C9_30 H9B_30 109.4 . . ?
H9A_30 C9_30 H9B_30 108.0 . . ?
C9_30 C10_30 C11_30 112.8(6) . . ?
C9_30 C10_30 H10A_30 109.0 . . ?
C11_30 C10_30 H10A_30 109.0 . . ?
C9_30 C10_30 H10B_30 109.0 . . ?
C11_30 C10_30 H10B_30 109.0 . . ?
H10A_30 C10_30 H10B_30 107.8 . . ?
C10_30 C11_30 C12_30 111.2(6) . . ?
C10_30 C11_30 H11A_30 109.4 . . ?
C12_30 C11_30 H11A_30 109.4 . . ?
C10_30 C11_30 H11B_30 109.4 . . ?
C12_30 C11_30 H11B_30 109.4 . . ?
H11A_30 C11_30 H11B_30 108.0 . . ?
C7_30 C12_30 C11_30 110.4(5) . . ?
C7_30 C12_30 H12A_30 109.6 . . ?
C11_30 C12_30 H12A_30 109.6 . . ?
C7_30 C12_30 H12B_30 109.6 . . ?
C11_30 C12_30 H12B_30 109.6 . . ?
H12A_30 C12_30 H12B_30 108.1 . . ?
C14_30 C13_30 P1_30 115.7(4) . . ?
C14_30 C13_30 H13A_30 108.3 . . ?
P1_30 C13_30 H13A_30 108.3 . . ?
C14_30 C13_30 H13B_30 108.3 . . ?
P1_30 C13_30 H13B_30 108.3 . . ?
H13A_30 C13_30 H13B_30 107.4 . . ?
C13_30 C14_30 P2_30 113.9(5) . . ?
C13_30 C14_30 H14A_30 108.8 . . ?
P2_30 C14_30 H14A_30 108.8 . . ?
C13_30 C14_30 H14B_30 108.8 . . ?
P2_30 C14_30 H14B_30 108.8 . . ?
H14A_30 C14_30 H14B_30 107.7 . . ?
C16_30 C15_30 C20_30 110.7(6) . . ?
C16_30 C15_30 P2_30 110.1(4) . . ?
C20_30 C15_30 P2_30 112.4(4) . . ?
C16_30 C15_30 H15_30 107.8 . . ?
C20_30 C15_30 H15_30 107.8 . . ?
P2_30 C15_30 H15_30 107.8 . . ?
C15_30 C16_30 C17_30 110.9(5) . . ?
C15_30 C16_30 H16A_30 109.5 . . ?
C17_30 C16_30 H16A_30 109.5 . . ?
C15_30 C16_30 H16B_30 109.5 . . ?
C17_30 C16_30 H16B_30 109.5 . . ?
H16A_30 C16_30 H16B_30 108.0 . . ?
C18_30 C17_30 C16_30 110.2(5) . . ?
C18_30 C17_30 H17A_30 109.6 . . ?
C16_30 C17_30 H17A_30 109.6 . . ?
C18_30 C17_30 H17B_30 109.6 . . ?
C16_30 C17_30 H17B_30 109.6 . . ?
H17A_30 C17_30 H17B_30 108.1 . . ?
C19_30 C18_30 C17_30 110.8(6) . . ?
C19_30 C18_30 H18A_30 109.5 . . ?
C17_30 C18_30 H18A_30 109.5 . . ?
C19_30 C18_30 H18B_30 109.5 . . ?
C17_30 C18_30 H18B_30 109.5 . . ?
H18A_30 C18_30 H18B_30 108.1 . . ?
C18_30 C19_30 C20_30 111.0(6) . . ?
C18_30 C19_30 H19A_30 109.4 . . ?
C20_30 C19_30 H19A_30 109.4 . . ?
C18_30 C19_30 H19B_30 109.4 . . ?
C20_30 C19_30 H19B_30 109.4 . . ?
H19A_30 C19_30 H19B_30 108.0 . . ?
C19_30 C20_30 C15_30 111.1(5) . . ?
C19_30 C20_30 H20A_30 109.4 . . ?
C15_30 C20_30 H20A_30 109.4 . . ?
C19_30 C20_30 H20B_30 109.4 . . ?
C15_30 C20_30 H20B_30 109.4 . . ?
H20A_30 C20_30 H20B_30 108.0 . . ?
C22_30 C21_30 C26_30 111.7(5) . . ?
C22_30 C21_30 P2_30 110.5(4) . . ?
C26_30 C21_30 P2_30 118.1(5) . . ?
C22_30 C21_30 H21_30 105.1 . . ?
C26_30 C21_30 H21_30 105.1 . . ?
P2_30 C21_30 H21_30 105.1 . . ?
C21_30 C22_30 C23_30 110.2(6) . . ?
C21_30 C22_30 H22A_30 109.6 . . ?
C23_30 C22_30 H22A_30 109.6 . . ?
C21_30 C22_30 H22B_30 109.6 . . ?
C23_30 C22_30 H22B_30 109.6 . . ?
H22A_30 C22_30 H22B_30 108.1 . . ?
C24_30 C23_30 C22_30 110.3(7) . . ?
C24_30 C23_30 H23A_30 109.6 . . ?
C22_30 C23_30 H23A_30 109.6 . . ?
C24_30 C23_30 H23B_30 109.6 . . ?
C22_30 C23_30 H23B_30 109.6 . . ?
H23A_30 C23_30 H23B_30 108.1 . . ?
C25_30 C24_30 C23_30 112.4(7) . . ?
C25_30 C24_30 H24A_30 109.1 . . ?
C23_30 C24_30 H24A_30 109.1 . . ?
C25_30 C24_30 H24B_30 109.1 . . ?
C23_30 C24_30 H24B_30 109.1 . . ?
H24A_30 C24_30 H24B_30 107.9 . . ?
C24_30 C25_30 C26_30 111.4(6) . . ?
C24_30 C25_30 H25A_30 109.3 . . ?
C26_30 C25_30 H25A_30 109.3 . . ?
C24_30 C25_30 H25B_30 109.3 . . ?
C26_30 C25_30 H25B_30 109.3 . . ?
H25A_30 C25_30 H25B_30 108.0 . . ?
C21_30 C26_30 C25_30 108.5(6) . . ?
C21_30 C26_30 H26A_30 110.0 . . ?
C25_30 C26_30 H26A_30 110.0 . . ?
C21_30 C26_30 H26B_30 110.0 . . ?
C25_30 C26_30 H26B_30 110.0 . . ?
H26A_30 C26_30 H26B_30 108.4 . . ?
C1_31 P1_31 C7_31 110.8(3) . . ?
C1_31 P1_31 C13_31 106.9(3) . . ?
C7_31 P1_31 C13_31 102.0(3) . . ?
C1_31 P1_31 Ga2 116.6(2) . . ?
C7_31 P1_31 Ga2 115.35(18) . . ?
C13_31 P1_31 Ga2 103.39(19) . . ?
C14_31 P2_31 C21_31 104.1(3) . . ?
C14_31 P2_31 C15_31 104.1(3) . . ?
C21_31 P2_31 C15_31 110.7(3) . . ?
C14_31 P2_31 Ga2 104.1(2) . . ?
C21_31 P2_31 Ga2 113.51(19) . . ?
C15_31 P2_31 Ga2 118.6(2) . . ?
C6_31 C1_31 C2_31 111.5(5) . . ?
C6_31 C1_31 P1_31 109.9(4) . . ?
C2_31 C1_31 P1_31 112.2(4) . . ?
C6_31 C1_31 H1_31 107.7 . . ?
C2_31 C1_31 H1_31 107.7 . . ?
P1_31 C1_31 H1_31 107.7 . . ?
C1_31 C2_31 C3_31 111.6(6) . . ?
C1_31 C2_31 H2A_31 109.3 . . ?
C3_31 C2_31 H2A_31 109.3 . . ?
C1_31 C2_31 H2B_31 109.3 . . ?
C3_31 C2_31 H2B_31 109.3 . . ?
H2A_31 C2_31 H2B_31 108.0 . . ?
C4_31 C3_31 C2_31 111.1(6) . . ?
C4_31 C3_31 H3A_31 109.4 . . ?
C2_31 C3_31 H3A_31 109.4 . . ?
C4_31 C3_31 H3B_31 109.4 . . ?
C2_31 C3_31 H3B_31 109.4 . . ?
H3A_31 C3_31 H3B_31 108.0 . . ?
C5_31 C4_31 C3_31 111.0(6) . . ?
C5_31 C4_31 H4A_31 109.4 . . ?
C3_31 C4_31 H4A_31 109.4 . . ?
C5_31 C4_31 H4B_31 109.4 . . ?
C3_31 C4_31 H4B_31 109.4 . . ?
H4A_31 C4_31 H4B_31 108.0 . . ?
C4_31 C5_31 C6_31 110.5(5) . . ?
C4_31 C5_31 H5A_31 109.6 . . ?
C6_31 C5_31 H5A_31 109.6 . . ?
C4_31 C5_31 H5B_31 109.6 . . ?
C6_31 C5_31 H5B_31 109.6 . . ?
H5A_31 C5_31 H5B_31 108.1 . . ?
C1_31 C6_31 C5_31 111.4(5) . . ?
C1_31 C6_31 H6A_31 109.3 . . ?
C5_31 C6_31 H6A_31 109.3 . . ?
C1_31 C6_31 H6B_31 109.3 . . ?
C5_31 C6_31 H6B_31 109.3 . . ?
H6A_31 C6_31 H6B_31 108.0 . . ?
C12_31 C7_31 C8_31 111.5(5) . . ?
C12_31 C7_31 P1_31 115.1(4) . . ?
C8_31 C7_31 P1_31 114.2(4) . . ?
C12_31 C7_31 H7_31 105.0 . . ?
C8_31 C7_31 H7_31 105.0 . . ?
P1_31 C7_31 H7_31 105.0 . . ?
C9_31 C8_31 C7_31 109.7(5) . . ?
C9_31 C8_31 H8A_31 109.7 . . ?
C7_31 C8_31 H8A_31 109.7 . . ?
C9_31 C8_31 H8B_31 109.7 . . ?
C7_31 C8_31 H8B_31 109.7 . . ?
H8A_31 C8_31 H8B_31 108.2 . . ?
C10_31 C9_31 C8_31 111.3(5) . . ?
C10_31 C9_31 H9A_31 109.4 . . ?
C8_31 C9_31 H9A_31 109.4 . . ?
C10_31 C9_31 H9B_31 109.4 . . ?
C8_31 C9_31 H9B_31 109.4 . . ?
H9A_31 C9_31 H9B_31 108.0 . . ?
C11_31 C10_31 C9_31 112.1(5) . . ?
C11_31 C10_31 H10A_31 109.2 . . ?
C9_31 C10_31 H10A_31 109.2 . . ?
C11_31 C10_31 H10B_31 109.2 . . ?
C9_31 C10_31 H10B_31 109.2 . . ?
H10A_31 C10_31 H10B_31 107.9 . . ?
C10_31 C11_31 C12_31 110.8(5) . . ?
C10_31 C11_31 H11A_31 109.5 . . ?
C12_31 C11_31 H11A_31 109.5 . . ?
C10_31 C11_31 H11B_31 109.5 . . ?
C12_31 C11_31 H11B_31 109.5 . . ?
H11A_31 C11_31 H11B_31 108.1 . . ?
C7_31 C12_31 C11_31 110.8(5) . . ?
C7_31 C12_31 H12A_31 109.5 . . ?
C11_31 C12_31 H12A_31 109.5 . . ?
C7_31 C12_31 H12B_31 109.5 . . ?
C11_31 C12_31 H12B_31 109.5 . . ?
H12A_31 C12_31 H12B_31 108.1 . . ?
C14_31 C13_31 P1_31 114.5(4) . . ?
C14_31 C13_31 H13A_31 108.6 . . ?
P1_31 C13_31 H13A_31 108.6 . . ?
C14_31 C13_31 H13B_31 108.6 . . ?
P1_31 C13_31 H13B_31 108.6 . . ?
H13A_31 C13_31 H13B_31 107.6 . . ?
C13_31 C14_31 P2_31 112.9(4) . . ?
C13_31 C14_31 H14A_31 109.0 . . ?
P2_31 C14_31 H14A_31 109.0 . . ?
C13_31 C14_31 H14B_31 109.0 . . ?
P2_31 C14_31 H14B_31 109.0 . . ?
H14A_31 C14_31 H14B_31 107.8 . . ?
C20_31 C15_31 C16_31 110.9(5) . . ?
C20_31 C15_31 P2_31 111.0(4) . . ?
C16_31 C15_31 P2_31 112.4(4) . . ?
C20_31 C15_31 H15_31 107.4 . . ?
C16_31 C15_31 H15_31 107.4 . . ?
P2_31 C15_31 H15_31 107.4 . . ?
C17_31 C16_31 C15_31 110.7(5) . . ?
C17_31 C16_31 H16A_31 109.5 . . ?
C15_31 C16_31 H16A_31 109.5 . . ?
C17_31 C16_31 H16B_31 109.5 . . ?
C15_31 C16_31 H16B_31 109.5 . . ?
H16A_31 C16_31 H16B_31 108.1 . . ?
C18_31 C17_31 C16_31 111.3(5) . . ?
C18_31 C17_31 H17A_31 109.4 . . ?
C16_31 C17_31 H17A_31 109.4 . . ?
C18_31 C17_31 H17B_31 109.4 . . ?
C16_31 C17_31 H17B_31 109.4 . . ?
H17A_31 C17_31 H17B_31 108.0 . . ?
C17_31 C18_31 C19_31 111.5(6) . . ?
C17_31 C18_31 H18A_31 109.3 . . ?
C19_31 C18_31 H18A_31 109.3 . . ?
C17_31 C18_31 H18B_31 109.3 . . ?
C19_31 C18_31 H18B_31 109.3 . . ?
H18A_31 C18_31 H18B_31 108.0 . . ?
C18_31 C19_31 C20_31 111.5(5) . . ?
C18_31 C19_31 H19A_31 109.3 . . ?
C20_31 C19_31 H19A_31 109.3 . . ?
C18_31 C19_31 H19B_31 109.3 . . ?
C20_31 C19_31 H19B_31 109.3 . . ?
H19A_31 C19_31 H19B_31 108.0 . . ?
C15_31 C20_31 C19_31 111.4(5) . . ?
C15_31 C20_31 H20A_31 109.3 . . ?
C19_31 C20_31 H20A_31 109.3 . . ?
C15_31 C20_31 H20B_31 109.3 . . ?
C19_31 C20_31 H20B_31 109.3 . . ?
H20A_31 C20_31 H20B_31 108.0 . . ?
C26_31 C21_31 C22_31 110.3(4) . . ?
C26_31 C21_31 P2_31 114.4(4) . . ?
C22_31 C21_31 P2_31 114.0(4) . . ?
C26_31 C21_31 H21_31 105.8 . . ?
C22_31 C21_31 H21_31 105.8 . . ?
P2_31 C21_31 H21_31 105.8 . . ?
C23_31 C22_31 C21_31 109.4(5) . . ?
C23_31 C22_31 H22A_31 109.8 . . ?
C21_31 C22_31 H22A_31 109.8 . . ?
C23_31 C22_31 H22B_31 109.8 . . ?
C21_31 C22_31 H22B_31 109.8 . . ?
H22A_31 C22_31 H22B_31 108.2 . . ?
C24_31 C23_31 C22_31 110.8(5) . . ?
C24_31 C23_31 H23A_31 109.5 . . ?
C22_31 C23_31 H23A_31 109.5 . . ?
C24_31 C23_31 H23B_31 109.5 . . ?
C22_31 C23_31 H23B_31 109.5 . . ?
H23A_31 C23_31 H23B_31 108.1 . . ?
C25_31 C24_31 C23_31 112.0(5) . . ?
C25_31 C24_31 H24A_31 109.2 . . ?
C23_31 C24_31 H24A_31 109.2 . . ?
C25_31 C24_31 H24B_31 109.2 . . ?
C23_31 C24_31 H24B_31 109.2 . . ?
H24A_31 C24_31 H24B_31 107.9 . . ?
C24_31 C25_31 C26_31 112.4(5) . . ?
C24_31 C25_31 H25A_31 109.1 . . ?
C26_31 C25_31 H25A_31 109.1 . . ?
C24_31 C25_31 H25B_31 109.1 . . ?
C26_31 C25_31 H25B_31 109.1 . . ?
H25A_31 C25_31 H25B_31 107.8 . . ?
C21_31 C26_31 C25_31 109.9(5) . . ?
C21_31 C26_31 H26A_31 109.7 . . ?
C25_31 C26_31 H26A_31 109.7 . . ?
C21_31 C26_31 H26B_31 109.7 . . ?
C25_31 C26_31 H26B_31 109.7 . . ?
H26A_31 C26_31 H26B_31 108.2 . . ?
C13_32 P1_32 C1_32 108.7(4) . . ?
C13_32 P1_32 C7_32 104.2(4) . . ?
C1_32 P1_32 C7_32 110.4(3) . . ?
C13_32 P1_32 Ga1 103.9(3) . . ?
C1_32 P1_32 Ga1 111.3(2) . . ?
C7_32 P1_32 Ga1 117.6(2) . . ?
C14_32 P2_32 C15_32 98.8(4) . . ?
C14_32 P2_32 C21_32 108.4(4) . . ?
C15_32 P2_32 C21_32 109.2(3) . . ?
C14_32 P2_32 Ga1 103.7(3) . . ?
C15_32 P2_32 Ga1 116.0(2) . . ?
C21_32 P2_32 Ga1 118.4(2) . . ?
C6_32 C1_32 C2_32 111.4(5) . . ?
C6_32 C1_32 P1_32 111.7(4) . . ?
C2_32 C1_32 P1_32 115.9(5) . . ?
C6_32 C1_32 H1_32 105.6 . . ?
C2_32 C1_32 H1_32 105.6 . . ?
P1_32 C1_32 H1_32 105.6 . . ?
C1_32 C2_32 C3_32 109.5(6) . . ?
C1_32 C2_32 H2A_32 109.8 . . ?
C3_32 C2_32 H2A_32 109.8 . . ?
C1_32 C2_32 H2B_32 109.8 . . ?
C3_32 C2_32 H2B_32 109.8 . . ?
H2A_32 C2_32 H2B_32 108.2 . . ?
C4_32 C3_32 C2_32 111.5(6) . . ?
C4_32 C3_32 H3A_32 109.3 . . ?
C2_32 C3_32 H3A_32 109.3 . . ?
C4_32 C3_32 H3B_32 109.3 . . ?
C2_32 C3_32 H3B_32 109.3 . . ?
H3A_32 C3_32 H3B_32 108.0 . . ?
C3_32 C4_32 C5_32 112.5(6) . . ?
C3_32 C4_32 H4A_32 109.1 . . ?
C5_32 C4_32 H4A_32 109.1 . . ?
C3_32 C4_32 H4B_32 109.1 . . ?
C5_32 C4_32 H4B_32 109.1 . . ?
H4A_32 C4_32 H4B_32 107.8 . . ?
C4_32 C5_32 C6_32 111.7(6) . . ?
C4_32 C5_32 H5A_32 109.3 . . ?
C6_32 C5_32 H5A_32 109.3 . . ?
C4_32 C5_32 H5B_32 109.3 . . ?
C6_32 C5_32 H5B_32 109.3 . . ?
H5A_32 C5_32 H5B_32 107.9 . . ?
C1_32 C6_32 C5_32 110.1(5) . . ?
C1_32 C6_32 H6A_32 109.6 . . ?
C5_32 C6_32 H6A_32 109.6 . . ?
C1_32 C6_32 H6B_32 109.6 . . ?
C5_32 C6_32 H6B_32 109.6 . . ?
H6A_32 C6_32 H6B_32 108.1 . . ?
C8_32 C7_32 C12_32 111.2(5) . . ?
C8_32 C7_32 P1_32 113.2(4) . . ?
C12_32 C7_32 P1_32 111.4(4) . . ?
C8_32 C7_32 H7_32 106.9 . . ?
C12_32 C7_32 H7_32 106.9 . . ?
P1_32 C7_32 H7_32 106.9 . . ?
C7_32 C8_32 C9_32 112.3(5) . . ?
C7_32 C8_32 H8A_32 109.1 . . ?
C9_32 C8_32 H8A_32 109.1 . . ?
C7_32 C8_32 H8B_32 109.1 . . ?
C9_32 C8_32 H8B_32 109.1 . . ?
H8A_32 C8_32 H8B_32 107.9 . . ?
C10_32 C9_32 C8_32 111.7(5) . . ?
C10_32 C9_32 H9A_32 109.3 . . ?
C8_32 C9_32 H9A_32 109.3 . . ?
C10_32 C9_32 H9B_32 109.3 . . ?
C8_32 C9_32 H9B_32 109.3 . . ?
H9A_32 C9_32 H9B_32 107.9 . . ?
C9_32 C10_32 C11_32 110.3(6) . . ?
C9_32 C10_32 H10A_32 109.6 . . ?
C11_32 C10_32 H10A_32 109.6 . . ?
C9_32 C10_32 H10B_32 109.6 . . ?
C11_32 C10_32 H10B_32 109.6 . . ?
H10A_32 C10_32 H10B_32 108.1 . . ?
C10_32 C11_32 C12_32 111.1(6) . . ?
C10_32 C11_32 H11A_32 109.4 . . ?
C12_32 C11_32 H11A_32 109.4 . . ?
C10_32 C11_32 H11B_32 109.4 . . ?
C12_32 C11_32 H11B_32 109.4 . . ?
H11A_32 C11_32 H11B_32 108.0 . . ?
C11_32 C12_32 C7_32 112.1(6) . . ?
C11_32 C12_32 H12A_32 109.2 . . ?
C7_32 C12_32 H12A_32 109.2 . . ?
C11_32 C12_32 H12B_32 109.2 . . ?
C7_32 C12_32 H12B_32 109.2 . . ?
H12A_32 C12_32 H12B_32 107.9 . . ?
C14_32 C13_32 P1_32 120.9(6) . . ?
C14_32 C13_32 H13A_32 107.1 . . ?
P1_32 C13_32 H13A_32 107.1 . . ?
C14_32 C13_32 H13B_32 107.1 . . ?
P1_32 C13_32 H13B_32 107.1 . . ?
H13A_32 C13_32 H13B_32 106.8 . . ?
C13_32 C14_32 P2_32 120.2(6) . . ?
C13_32 C14_32 H14A_32 107.3 . . ?
P2_32 C14_32 H14A_32 107.3 . . ?
C13_32 C14_32 H14B_32 107.3 . . ?
P2_32 C14_32 H14B_32 107.3 . . ?
H14A_32 C14_32 H14B_32 106.9 . . ?
C16_32 C15_32 C20_32 110.9(6) . . ?
C16_32 C15_32 P2_32 115.0(4) . . ?
C20_32 C15_32 P2_32 114.9(5) . . ?
C16_32 C15_32 H15_32 104.9 . . ?
C20_32 C15_32 H15_32 104.9 . . ?
P2_32 C15_32 H15_32 104.9 . . ?
C15_32 C16_32 C17_32 109.6(6) . . ?
C15_32 C16_32 H16A_32 109.7 . . ?
C17_32 C16_32 H16A_32 109.7 . . ?
C15_32 C16_32 H16B_32 109.7 . . ?
C17_32 C16_32 H16B_32 109.7 . . ?
H16A_32 C16_32 H16B_32 108.2 . . ?
C18_32 C17_32 C16_32 110.0(6) . . ?
C18_32 C17_32 H17A_32 109.7 . . ?
C16_32 C17_32 H17A_32 109.7 . . ?
C18_32 C17_32 H17B_32 109.7 . . ?
C16_32 C17_32 H17B_32 109.7 . . ?
H17A_32 C17_32 H17B_32 108.2 . . ?
C19_32 C18_32 C17_32 112.5(7) . . ?
C19_32 C18_32 H18A_32 109.1 . . ?
C17_32 C18_32 H18A_32 109.1 . . ?
C19_32 C18_32 H18B_32 109.1 . . ?
C17_32 C18_32 H18B_32 109.1 . . ?
H18A_32 C18_32 H18B_32 107.8 . . ?
C18_32 C19_32 C20_32 112.3(6) . . ?
C18_32 C19_32 H19A_32 109.1 . . ?
C20_32 C19_32 H19A_32 109.1 . . ?
C18_32 C19_32 H19B_32 109.1 . . ?
C20_32 C19_32 H19B_32 109.1 . . ?
H19A_32 C19_32 H19B_32 107.9 . . ?
C15_32 C20_32 C19_32 109.0(6) . . ?
C15_32 C20_32 H20A_32 109.9 . . ?
C19_32 C20_32 H20A_32 109.9 . . ?
C15_32 C20_32 H20B_32 109.9 . . ?
C19_32 C20_32 H20B_32 109.9 . . ?
H20A_32 C20_32 H20B_32 108.3 . . ?
C22_32 C21_32 C26_32 110.7(5) . . ?
C22_32 C21_32 P2_32 111.3(4) . . ?
C26_32 C21_32 P2_32 113.5(4) . . ?
C22_32 C21_32 H21_32 107.0 . . ?
C26_32 C21_32 H21_32 107.0 . . ?
P2_32 C21_32 H21_32 107.0 . . ?
C23_32 C22_32 C21_32 111.4(5) . . ?
C23_32 C22_32 H22A_32 109.3 . . ?
C21_32 C22_32 H22A_32 109.3 . . ?
C23_32 C22_32 H22B_32 109.3 . . ?
C21_32 C22_32 H22B_32 109.3 . . ?
H22A_32 C22_32 H22B_32 108.0 . . ?
C24_32 C23_32 C22_32 111.7(6) . . ?
C24_32 C23_32 H23A_32 109.3 . . ?
C22_32 C23_32 H23A_32 109.3 . . ?
C24_32 C23_32 H23B_32 109.3 . . ?
C22_32 C23_32 H23B_32 109.3 . . ?
H23A_32 C23_32 H23B_32 107.9 . . ?
C25_32 C24_32 C23_32 112.1(6) . . ?
C25_32 C24_32 H24A_32 109.2 . . ?
C23_32 C24_32 H24A_32 109.2 . . ?
C25_32 C24_32 H24B_32 109.2 . . ?
C23_32 C24_32 H24B_32 109.2 . . ?
H24A_32 C24_32 H24B_32 107.9 . . ?
C24_32 C25_32 C26_32 111.5(6) . . ?
C24_32 C25_32 H25A_32 109.3 . . ?
C26_32 C25_32 H25A_32 109.3 . . ?
C24_32 C25_32 H25B_32 109.3 . . ?
C26_32 C25_32 H25B_32 109.3 . . ?
H25A_32 C25_32 H25B_32 108.0 . . ?
C25_32 C26_32 C21_32 110.5(5) . . ?
C25_32 C26_32 H26A_32 109.5 . . ?
C21_32 C26_32 H26A_32 109.5 . . ?
C25_32 C26_32 H26B_32 109.5 . . ?
C21_32 C26_32 H26B_32 109.5 . . ?
H26A_32 C26_32 H26B_32 108.1 . . ?
C1_33 O1_33 Al4 150.6(8) . . ?
O1_33 C1_33 C4_33 110.2(9) . . ?
O1_33 C1_33 C3_33 108.3(9) . . ?
C4_33 C1_33 C3_33 108.9(9) . . ?
O1_33 C1_33 C2_33 111.0(9) . . ?
C4_33 C1_33 C2_33 109.1(9) . . ?
C3_33 C1_33 C2_33 109.3(9) . . ?
F1_33 C2_33 F2_33 108.5(12) . . ?
F1_33 C2_33 F3_33 107.9(11) . . ?
F2_33 C2_33 F3_33 107.7(11) . . ?
F1_33 C2_33 C1_33 112.1(11) . . ?
F2_33 C2_33 C1_33 110.7(10) . . ?
F3_33 C2_33 C1_33 109.8(10) . . ?
F5_33 C3_33 F4_33 107.6(10) . . ?
F5_33 C3_33 F6_33 107.2(11) . . ?
F4_33 C3_33 F6_33 108.4(10) . . ?
F5_33 C3_33 C1_33 111.1(9) . . ?
F4_33 C3_33 C1_33 113.2(10) . . ?
F6_33 C3_33 C1_33 109.2(10) . . ?
F9_33 C4_33 F8_33 107.7(12) . . ?
F9_33 C4_33 F7_33 106.7(11) . . ?
F8_33 C4_33 F7_33 107.1(12) . . ?
F9_33 C4_33 C1_33 112.9(10) . . ?
F8_33 C4_33 C1_33 111.5(10) . . ?
F7_33 C4_33 C1_33 110.7(10) . . ?
C4_33 F9_33 F7_34 153.7(9) . . ?
C1_34 O1_34 Al4 149.5(14) . . ?
O1_34 C1_34 C3_34 108.1(11) . . ?
O1_34 C1_34 C2_34 108.9(11) . . ?
C3_34 C1_34 C2_34 110.5(9) . . ?
O1_34 C1_34 C4_34 110.9(10) . . ?
C3_34 C1_34 C4_34 109.3(9) . . ?
C2_34 C1_34 C4_34 109.0(9) . . ?
F3_34 C2_34 F2_34 104.9(11) . . ?
F3_34 C2_34 F1_34 108.3(13) . . ?
F2_34 C2_34 F1_34 109.6(13) . . ?
F3_34 C2_34 C1_34 110.7(10) . . ?
F2_34 C2_34 C1_34 112.0(10) . . ?
F1_34 C2_34 C1_34 111.0(11) . . ?
F4_34 C3_34 F5_34 111.2(13) . . ?
F4_34 C3_34 F6_34 105.8(13) . . ?
F5_34 C3_34 F6_34 109.4(13) . . ?
F4_34 C3_34 C1_34 109.3(11) . . ?
F5_34 C3_34 C1_34 109.2(10) . . ?
F6_34 C3_34 C1_34 111.9(11) . . ?
F9_34 C4_34 F8_34 108.0(10) . . ?
F9_34 C4_34 F7_34 109.1(11) . . ?
F8_34 C4_34 F7_34 109.4(10) . . ?
F9_34 C4_34 C1_34 110.5(9) . . ?
F8_34 C4_34 C1_34 111.0(10) . . ?
F7_34 C4_34 C1_34 108.9(10) . . ?
C4_34 F7_34 F9_33 105.3(10) . . ?
C1_35 O1_35 Al1 158.2(17) . . ?
O1_35 C1_35 C4_35 109.6(13) . . ?
O1_35 C1_35 C3_35 110.6(13) . . ?
C4_35 C1_35 C3_35 109.4(11) . . ?
O1_35 C1_35 C2_35 108.6(13) . . ?
C4_35 C1_35 C2_35 107.6(11) . . ?
C3_35 C1_35 C2_35 111.0(12) . . ?
F2_35 C2_35 F3_35 107.4(16) . . ?
F2_35 C2_35 F1_35 109.4(17) . . ?
F3_35 C2_35 F1_35 108.3(17) . . ?
F2_35 C2_35 C1_35 111.3(14) . . ?
F3_35 C2_35 C1_35 111.2(14) . . ?
F1_35 C2_35 C1_35 109.2(14) . . ?
F6_35 C3_35 F5_35 106.7(14) . . ?
F6_35 C3_35 F4_35 104.9(16) . . ?
F5_35 C3_35 F4_35 112.5(17) . . ?
F6_35 C3_35 C1_35 113.0(14) . . ?
F5_35 C3_35 C1_35 110.0(12) . . ?
F4_35 C3_35 C1_35 109.5(14) . . ?
F8_35 C4_35 F7_35 106.6(16) . . ?
F8_35 C4_35 F9_35 110.0(16) . . ?
F7_35 C4_35 F9_35 107.7(15) . . ?
F8_35 C4_35 C1_35 109.5(13) . . ?
F7_35 C4_35 C1_35 113.9(13) . . ?
F9_35 C4_35 C1_35 109.2(14) . . ?
C1_36 P1_36 C13_36 112.1(16) . . ?
C1_36 P1_36 C7_36 106.6(16) . . ?
C13_36 P1_36 C7_36 98.2(13) . . ?
C1_36 P1_36 Ga1 115.0(15) . . ?
C13_36 P1_36 Ga1 102.6(13) . . ?
C7_36 P1_36 Ga1 120.9(16) . . ?
C15_36 P2_36 C21_36 111.5(16) . . ?
C15_36 P2_36 C14_36 105.2(15) . . ?
C21_36 P2_36 C14_36 108.9(16) . . ?
C15_36 P2_36 Ga1 118.7(15) . . ?
C21_36 P2_36 Ga1 109.3(16) . . ?
C14_36 P2_36 Ga1 102.6(15) . . ?
C6_36 C1_36 C2_36 112.9(14) . . ?
C6_36 C1_36 P1_36 116.5(18) . . ?
C2_36 C1_36 P1_36 119.4(18) . . ?
C6_36 C1_36 H1_36 101.3 . . ?
C2_36 C1_36 H1_36 101.3 . . ?
P1_36 C1_36 H1_36 101.3 . . ?
C1_36 C2_36 C3_36 110.7(14) . . ?
C1_36 C2_36 H2A_36 109.5 . . ?
C3_36 C2_36 H2A_36 109.5 . . ?
C1_36 C2_36 H2B_36 109.5 . . ?
C3_36 C2_36 H2B_36 109.5 . . ?
H2A_36 C2_36 H2B_36 108.1 . . ?
C4_36 C3_36 C2_36 111.3(14) . . ?
C4_36 C3_36 H3A_36 109.4 . . ?
C2_36 C3_36 H3A_36 109.4 . . ?
C4_36 C3_36 H3B_36 109.4 . . ?
C2_36 C3_36 H3B_36 109.4 . . ?
H3A_36 C3_36 H3B_36 108.0 . . ?
C5_36 C4_36 C3_36 113.3(15) . . ?
C5_36 C4_36 H4A_36 108.9 . . ?
C3_36 C4_36 H4A_36 108.9 . . ?
C5_36 C4_36 H4B_36 108.9 . . ?
C3_36 C4_36 H4B_36 108.9 . . ?
H4A_36 C4_36 H4B_36 107.7 . . ?
C4_36 C5_36 C6_36 112.1(14) . . ?
C4_36 C5_36 H5A_36 109.2 . . ?
C6_36 C5_36 H5A_36 109.2 . . ?
C4_36 C5_36 H5B_36 109.2 . . ?
C6_36 C5_36 H5B_36 109.2 . . ?
H5A_36 C5_36 H5B_36 107.9 . . ?
C1_36 C6_36 C5_36 111.7(14) . . ?
C1_36 C6_36 H6A_36 109.3 . . ?
C5_36 C6_36 H6A_36 109.3 . . ?
C1_36 C6_36 H6B_36 109.3 . . ?
C5_36 C6_36 H6B_36 109.3 . . ?
H6A_36 C6_36 H6B_36 107.9 . . ?
C12_36 C7_36 C8_36 110.8(14) . . ?
C12_36 C7_36 P1_36 114.0(19) . . ?
C8_36 C7_36 P1_36 109.7(16) . . ?
C12_36 C7_36 H7_36 107.3 . . ?
C8_36 C7_36 H7_36 107.3 . . ?
P1_36 C7_36 H7_36 107.3 . . ?
C9_36 C8_36 C7_36 110.6(14) . . ?
C9_36 C8_36 H8A_36 109.5 . . ?
C7_36 C8_36 H8A_36 109.5 . . ?
C9_36 C8_36 H8B_36 109.5 . . ?
C7_36 C8_36 H8B_36 109.5 . . ?
H8A_36 C8_36 H8B_36 108.1 . . ?
C10_36 C9_36 C8_36 112.1(14) . . ?
C10_36 C9_36 H9A_36 109.2 . . ?
C8_36 C9_36 H9A_36 109.2 . . ?
C10_36 C9_36 H9B_36 109.2 . . ?
C8_36 C9_36 H9B_36 109.2 . . ?
H9A_36 C9_36 H9B_36 107.9 . . ?
C9_36 C10_36 C11_36 112.4(15) . . ?
C9_36 C10_36 H10A_36 109.1 . . ?
C11_36 C10_36 H10A_36 109.1 . . ?
C9_36 C10_36 H10B_36 109.1 . . ?
C11_36 C10_36 H10B_36 109.1 . . ?
H10A_36 C10_36 H10B_36 107.9 . . ?
C10_36 C11_36 C12_36 110.8(14) . . ?
C10_36 C11_36 H11A_36 109.5 . . ?
C12_36 C11_36 H11A_36 109.5 . . ?
C10_36 C11_36 H11B_36 109.5 . . ?
C12_36 C11_36 H11B_36 109.5 . . ?
H11A_36 C11_36 H11B_36 108.1 . . ?
C7_36 C12_36 C11_36 110.3(14) . . ?
C7_36 C12_36 H12A_36 109.6 . . ?
C11_36 C12_36 H12A_36 109.6 . . ?
C7_36 C12_36 H12B_36 109.6 . . ?
C11_36 C12_36 H12B_36 109.6 . . ?
H12A_36 C12_36 H12B_36 108.1 . . ?
C14_36 C13_36 P1_36 111.7(19) . . ?
C14_36 C13_36 H13A_36 109.3 . . ?
P1_36 C13_36 H13A_36 109.3 . . ?
C14_36 C13_36 H13B_36 109.3 . . ?
P1_36 C13_36 H13B_36 109.3 . . ?
H13A_36 C13_36 H13B_36 107.9 . . ?
C13_36 C14_36 P2_36 111.9(19) . . ?
C13_36 C14_36 H14A_36 109.2 . . ?
P2_36 C14_36 H14A_36 109.2 . . ?
C13_36 C14_36 H14B_36 109.2 . . ?
P2_36 C14_36 H14B_36 109.2 . . ?
H14A_36 C14_36 H14B_36 107.9 . . ?
C16_36 C15_36 C20_36 113.6(14) . . ?
C16_36 C15_36 P2_36 119.8(17) . . ?
C20_36 C15_36 P2_36 121.7(16) . . ?
C16_36 C15_36 H15_36 97.3 . . ?
C20_36 C15_36 H15_36 97.3 . . ?
P2_36 C15_36 H15_36 97.3 . . ?
C15_36 C16_36 C17_36 111.3(14) . . ?
C15_36 C16_36 H16A_36 109.4 . . ?
C17_36 C16_36 H16A_36 109.4 . . ?
C15_36 C16_36 H16B_36 109.4 . . ?
C17_36 C16_36 H16B_36 109.4 . . ?
H16A_36 C16_36 H16B_36 108.0 . . ?
C18_36 C17_36 C16_36 112.0(14) . . ?
C18_36 C17_36 H17A_36 109.2 . . ?
C16_36 C17_36 H17A_36 109.2 . . ?
C18_36 C17_36 H17B_36 109.2 . . ?
C16_36 C17_36 H17B_36 109.2 . . ?
H17A_36 C17_36 H17B_36 107.9 . . ?
C19_36 C18_36 C17_36 114.3(15) . . ?
C19_36 C18_36 H18A_36 108.7 . . ?
C17_36 C18_36 H18A_36 108.7 . . ?
C19_36 C18_36 H18B_36 108.7 . . ?
C17_36 C18_36 H18B_36 108.7 . . ?
H18A_36 C18_36 H18B_36 107.6 . . ?
C18_36 C19_36 C20_36 112.5(15) . . ?
C18_36 C19_36 H19A_36 109.1 . . ?
C20_36 C19_36 H19A_36 109.1 . . ?
C18_36 C19_36 H19B_36 109.1 . . ?
C20_36 C19_36 H19B_36 109.1 . . ?
H19A_36 C19_36 H19B_36 107.8 . . ?
C15_36 C20_36 C19_36 111.7(14) . . ?
C15_36 C20_36 H20A_36 109.3 . . ?
C19_36 C20_36 H20A_36 109.3 . . ?
C15_36 C20_36 H20B_36 109.3 . . ?
C19_36 C20_36 H20B_36 109.3 . . ?
H20A_36 C20_36 H20B_36 107.9 . . ?
C26_36 C21_36 C22_36 111.7(14) . . ?
C26_36 C21_36 P2_36 115.7(18) . . ?
C22_36 C21_36 P2_36 112.9(18) . . ?
C26_36 C21_36 H21_36 105.2 . . ?
C22_36 C21_36 H21_36 105.2 . . ?
P2_36 C21_36 H21_36 105.2 . . ?
C21_36 C22_36 C23_36 110.5(14) . . ?
C21_36 C22_36 H22A_36 109.6 . . ?
C23_36 C22_36 H22A_36 109.6 . . ?
C21_36 C22_36 H22B_36 109.6 . . ?
C23_36 C22_36 H22B_36 109.6 . . ?
H22A_36 C22_36 H22B_36 108.1 . . ?
C24_36 C23_36 C22_36 110.9(14) . . ?
C24_36 C23_36 H23A_36 109.5 . . ?
C22_36 C23_36 H23A_36 109.5 . . ?
C24_36 C23_36 H23B_36 109.5 . . ?
C22_36 C23_36 H23B_36 109.5 . . ?
H23A_36 C23_36 H23B_36 108.0 . . ?
C25_36 C24_36 C23_36 112.1(15) . . ?
C25_36 C24_36 H24A_36 109.2 . . ?
C23_36 C24_36 H24A_36 109.2 . . ?
C25_36 C24_36 H24B_36 109.2 . . ?
C23_36 C24_36 H24B_36 109.2 . . ?
H24A_36 C24_36 H24B_36 107.9 . . ?
C24_36 C25_36 C26_36 111.7(14) . . ?
C24_36 C25_36 H25A_36 109.3 . . ?
C26_36 C25_36 H25A_36 109.3 . . ?
C24_36 C25_36 H25B_36 109.3 . . ?
C26_36 C25_36 H25B_36 109.3 . . ?
H25A_36 C25_36 H25B_36 107.9 . . ?
C21_36 C26_36 C25_36 111.4(14) . . ?
C21_36 C26_36 H26A_36 109.3 . . ?
C25_36 C26_36 H26A_36 109.3 . . ?
C21_36 C26_36 H26B_36 109.3 . . ?
C25_36 C26_36 H26B_36 109.3 . . ?
H26A_36 C26_36 H26B_36 108.0 . . ?
C1_37 O1_37 Al2 146.7(14) . . ?
O1_37 C1_37 C4_37 112.6(12) . . ?
O1_37 C1_37 C2_37 110.6(13) . . ?
C4_37 C1_37 C2_37 106.5(11) . . ?
O1_37 C1_37 C3_37 107.9(13) . . ?
C4_37 C1_37 C3_37 114.2(12) . . ?
C2_37 C1_37 C3_37 104.7(11) . . ?
F1_37 C2_37 F2_37 109.7(18) . . ?
F1_37 C2_37 F3_37 110.8(18) . . ?
F2_37 C2_37 F3_37 104.2(16) . . ?
F1_37 C2_37 C1_37 110.7(16) . . ?
F2_37 C2_37 C1_37 109.7(14) . . ?
F3_37 C2_37 C1_37 111.5(15) . . ?
F6_37 C3_37 F4_37 106.3(17) . . ?
F6_37 C3_37 F5_37 111.3(17) . . ?
F4_37 C3_37 F5_37 112.1(17) . . ?
F6_37 C3_37 C1_37 110.0(15) . . ?
F4_37 C3_37 C1_37 111.1(14) . . ?
F5_37 C3_37 C1_37 106.1(13) . . ?
F9_37 C4_37 F7_37 106.7(17) . . ?
F9_37 C4_37 F8_37 104.4(15) . . ?
F7_37 C4_37 F8_37 108.7(17) . . ?
F9_37 C4_37 C1_37 111.8(13) . . ?
F7_37 C4_37 C1_37 111.0(16) . . ?
F8_37 C4_37 C1_37 113.7(14) . . ?
C1_38 O1_38 Al1 158.1(15) . . ?
O1_38 C1_38 C4_38 107.2(12) . . ?
O1_38 C1_38 C2_38 113.8(12) . . ?
C4_38 C1_38 C2_38 110.6(11) . . ?
O1_38 C1_38 C3_38 108.3(12) . . ?
C4_38 C1_38 C3_38 107.9(11) . . ?
C2_38 C1_38 C3_38 108.8(11) . . ?
F3_38 C2_38 F2_38 112.0(16) . . ?
F3_38 C2_38 F1_38 103.5(15) . . ?
F2_38 C2_38 F1_38 108.0(16) . . ?
F3_38 C2_38 C1_38 110.0(13) . . ?
F2_38 C2_38 C1_38 111.9(14) . . ?
F1_38 C2_38 C1_38 111.1(13) . . ?
F6_38 C3_38 F5_38 103.4(15) . . ?
F6_38 C3_38 F4_38 107.6(16) . . ?
F5_38 C3_38 F4_38 113.7(17) . . ?
F6_38 C3_38 C1_38 118.0(15) . . ?
F5_38 C3_38 C1_38 109.2(13) . . ?
F4_38 C3_38 C1_38 105.4(13) . . ?
F8_38 C4_38 F9_38 110.9(16) . . ?
F8_38 C4_38 F7_38 104.5(16) . . ?
F9_38 C4_38 F7_38 107.8(16) . . ?
F8_38 C4_38 C1_38 111.9(13) . . ?
F9_38 C4_38 C1_38 112.8(13) . . ?
F7_38 C4_38 C1_38 108.6(13) . . ?
C1_39 O1_39 Al3 168(2) . . ?
O1_39 C1_39 C4_39 113.7(15) . . ?
O1_39 C1_39 C2_39 112.1(16) . . ?
C4_39 C1_39 C2_39 109.9(12) . . ?
O1_39 C1_39 C3_39 107.5(16) . . ?
C4_39 C1_39 C3_39 108.0(12) . . ?
C2_39 C1_39 C3_39 105.1(12) . . ?
F1_39 C2_39 F3_39 112.8(17) . . ?
F1_39 C2_39 F2_39 104.5(17) . . ?
F3_39 C2_39 F2_39 108.0(17) . . ?
F1_39 C2_39 C1_39 112.5(14) . . ?
F3_39 C2_39 C1_39 108.9(13) . . ?
F2_39 C2_39 C1_39 110.1(16) . . ?
F6_39 C3_39 F5_39 108.4(17) . . ?
F6_39 C3_39 F4_39 112.6(18) . . ?
F5_39 C3_39 F4_39 109.7(16) . . ?
F6_39 C3_39 C1_39 107.6(15) . . ?
F5_39 C3_39 C1_39 108.9(14) . . ?
F4_39 C3_39 C1_39 109.5(14) . . ?
F9_39 C4_39 F7_39 110.9(17) . . ?
F9_39 C4_39 F8_39 103.8(17) . . ?
F7_39 C4_39 F8_39 108.8(17) . . ?
F9_39 C4_39 C1_39 112.4(15) . . ?
F7_39 C4_39 C1_39 109.8(13) . . ?
F8_39 C4_39 C1_39 110.9(15) . . ?
C1_40 O1_40 Al7 148(2) . . ?
O1_40 C1_40 C4_40 108.8(16) . . ?
O1_40 C1_40 C2_40 107.3(16) . . ?
C4_40 C1_40 C2_40 110.6(11) . . ?
O1_40 C1_40 C3_40 110.7(15) . . ?
C4_40 C1_40 C3_40 110.1(10) . . ?
C2_40 C1_40 C3_40 109.3(10) . . ?
F1_40 C2_40 F2_40 106.8(16) . . ?
F1_40 C2_40 F3_40 111.2(14) . . ?
F2_40 C2_40 F3_40 107.2(16) . . ?
F1_40 C2_40 C1_40 110.6(11) . . ?
F2_40 C2_40 C1_40 114.0(15) . . ?
F3_40 C2_40 C1_40 107.1(13) . . ?
F6_40 C3_40 F5_40 109.0(13) . . ?
F6_40 C3_40 F4_40 105.8(15) . . ?
F5_40 C3_40 F4_40 112.1(13) . . ?
F6_40 C3_40 C1_40 112.5(14) . . ?
F5_40 C3_40 C1_40 109.2(10) . . ?
F4_40 C3_40 C1_40 108.3(13) . . ?
F7_40 C4_40 F9_40 111.7(14) . . ?
F7_40 C4_40 F8_40 104.9(14) . . ?
F9_40 C4_40 F8_40 107.5(14) . . ?
F7_40 C4_40 C1_40 110.9(11) . . ?
F9_40 C4_40 C1_40 110.9(14) . . ?
F8_40 C4_40 C1_40 110.6(14) . . ?
C1_41 O1_41 Al6 150.3(15) . . ?
O1_41 C1_41 C4_41 109.5(13) . . ?
O1_41 C1_41 C3_41 113.9(14) . . ?
C4_41 C1_41 C3_41 110.5(12) . . ?
O1_41 C1_41 C2_41 109.1(12) . . ?
C4_41 C1_41 C2_41 109.0(12) . . ?
C3_41 C1_41 C2_41 104.6(11) . . ?
F1_41 C2_41 F3_41 107.1(16) . . ?
F1_41 C2_41 F2_41 110.8(18) . . ?
F3_41 C2_41 F2_41 108.5(17) . . ?
F1_41 C2_41 C1_41 110.1(13) . . ?
F3_41 C2_41 C1_41 111.0(13) . . ?
F2_41 C2_41 C1_41 109.4(16) . . ?
F4_41 C3_41 F5_41 103.8(16) . . ?
F4_41 C3_41 F6_41 110.7(17) . . ?
F5_41 C3_41 F6_41 114.8(17) . . ?
F4_41 C3_41 C1_41 113.9(15) . . ?
F5_41 C3_41 C1_41 109.6(14) . . ?
F6_41 C3_41 C1_41 104.2(13) . . ?
F8_41 C4_41 F9_41 99.6(15) . . ?
F8_41 C4_41 F7_41 104.6(16) . . ?
F9_41 C4_41 F7_41 114.1(17) . . ?
F8_41 C4_41 C1_41 121.0(15) . . ?
F9_41 C4_41 C1_41 109.5(14) . . ?
F7_41 C4_41 C1_41 108.1(14) . . ?
C4_41 F9_41 F9_59 150(2) . 2_566 ?
C1_42 P1_42 C7_42 110.7(10) . . ?
C1_42 P1_42 C13_42 110.1(9) . . ?
C7_42 P1_42 C13_42 106.5(8) . . ?
C1_42 P1_42 Ga4 107.9(10) . . ?
C7_42 P1_42 Ga4 120.2(7) . . ?
C13_42 P1_42 Ga4 100.8(7) . . ?
C21_42 P2_42 C14_42 109.3(10) . . ?
C21_42 P2_42 C15_42 111.0(9) . . ?
C14_42 P2_42 C15_42 106.3(10) . . ?
C21_42 P2_42 Ga4 107.7(7) . . ?
C14_42 P2_42 Ga4 103.9(7) . . ?
C15_42 P2_42 Ga4 118.1(8) . . ?
C6_42 C1_42 C2_42 111.5(11) . . ?
C6_42 C1_42 P1_42 111.0(12) . . ?
C2_42 C1_42 P1_42 115.2(13) . . ?
C6_42 C1_42 H1_42 106.1 . . ?
C2_42 C1_42 H1_42 106.1 . . ?
P1_42 C1_42 H1_42 106.1 . . ?
C1_42 C2_42 C3_42 109.7(11) . . ?
C1_42 C2_42 H2A_42 109.7 . . ?
C3_42 C2_42 H2A_42 109.7 . . ?
C1_42 C2_42 H2B_42 109.7 . . ?
C3_42 C2_42 H2B_42 109.7 . . ?
H2A_42 C2_42 H2B_42 108.2 . . ?
C4_42 C3_42 C2_42 111.3(12) . . ?
C4_42 C3_42 H3A_42 109.4 . . ?
C2_42 C3_42 H3A_42 109.4 . . ?
C4_42 C3_42 H3B_42 109.4 . . ?
C2_42 C3_42 H3B_42 109.4 . . ?
H3A_42 C3_42 H3B_42 108.0 . . ?
C3_42 C4_42 C5_42 111.8(12) . . ?
C3_42 C4_42 H4A_42 109.3 . . ?
C5_42 C4_42 H4A_42 109.3 . . ?
C3_42 C4_42 H4B_42 109.3 . . ?
C5_42 C4_42 H4B_42 109.3 . . ?
H4A_42 C4_42 H4B_42 107.9 . . ?
C4_42 C5_42 C6_42 110.4(11) . . ?
C4_42 C5_42 H5A_42 109.6 . . ?
C6_42 C5_42 H5A_42 109.6 . . ?
C4_42 C5_42 H5B_42 109.6 . . ?
C6_42 C5_42 H5B_42 109.6 . . ?
H5A_42 C5_42 H5B_42 108.1 . . ?
C1_42 C6_42 C5_42 110.7(11) . . ?
C1_42 C6_42 H6A_42 109.5 . . ?
C5_42 C6_42 H6A_42 109.5 . . ?
C1_42 C6_42 H6B_42 109.5 . . ?
C5_42 C6_42 H6B_42 109.5 . . ?
H6A_42 C6_42 H6B_42 108.1 . . ?
C12_42 C7_42 C8_42 114.3(10) . . ?
C12_42 C7_42 P1_42 116.4(9) . . ?
C8_42 C7_42 P1_42 115.2(9) . . ?
C12_42 C7_42 H7_42 102.7 . . ?
C8_42 C7_42 H7_42 102.7 . . ?
P1_42 C7_42 H7_42 102.7 . . ?
C9_42 C8_42 C7_42 112.1(11) . . ?
C9_42 C8_42 H8A_42 109.2 . . ?
C7_42 C8_42 H8A_42 109.2 . . ?
C9_42 C8_42 H8B_42 109.2 . . ?
C7_42 C8_42 H8B_42 109.2 . . ?
H8A_42 C8_42 H8B_42 107.9 . . ?
C10_42 C9_42 C8_42 114.6(11) . . ?
C10_42 C9_42 H9A_42 108.6 . . ?
C8_42 C9_42 H9A_42 108.6 . . ?
C10_42 C9_42 H9B_42 108.6 . . ?
C8_42 C9_42 H9B_42 108.6 . . ?
H9A_42 C9_42 H9B_42 107.6 . . ?
C9_42 C10_42 C11_42 115.3(10) . . ?
C9_42 C10_42 H10A_42 108.4 . . ?
C11_42 C10_42 H10A_42 108.4 . . ?
C9_42 C10_42 H10B_42 108.4 . . ?
C11_42 C10_42 H10B_42 108.4 . . ?
H10A_42 C10_42 H10B_42 107.5 . . ?
C10_42 C11_42 C12_42 112.3(10) . . ?
C10_42 C11_42 H11A_42 109.1 . . ?
C12_42 C11_42 H11A_42 109.1 . . ?
C10_42 C11_42 H11B_42 109.1 . . ?
C12_42 C11_42 H11B_42 109.1 . . ?
H11A_42 C11_42 H11B_42 107.9 . . ?
C7_42 C12_42 C11_42 112.6(10) . . ?
C7_42 C12_42 H12A_42 109.1 . . ?
C11_42 C12_42 H12A_42 109.1 . . ?
C7_42 C12_42 H12B_42 109.1 . . ?
C11_42 C12_42 H12B_42 109.1 . . ?
H12A_42 C12_42 H12B_42 107.8 . . ?
C14_42 C13_42 P1_42 111.8(11) . . ?
C14_42 C13_42 H13A_42 109.3 . . ?
P1_42 C13_42 H13A_42 109.3 . . ?
C14_42 C13_42 H13B_42 109.3 . . ?
P1_42 C13_42 H13B_42 109.3 . . ?
H13A_42 C13_42 H13B_42 107.9 . . ?
C13_42 C14_42 P2_42 113.6(10) . . ?
C13_42 C14_42 H14A_42 108.9 . . ?
P2_42 C14_42 H14A_42 108.9 . . ?
C13_42 C14_42 H14B_42 108.9 . . ?
P2_42 C14_42 H14B_42 108.9 . . ?
H14A_42 C14_42 H14B_42 107.7 . . ?
C16_42 C15_42 C20_42 112.2(11) . . ?
C16_42 C15_42 P2_42 111.5(11) . . ?
C20_42 C15_42 P2_42 114.3(12) . . ?
C16_42 C15_42 H15_42 106.1 . . ?
C20_42 C15_42 H15_42 106.1 . . ?
P2_42 C15_42 H15_42 106.1 . . ?
C15_42 C16_42 C17_42 112.4(11) . . ?
C15_42 C16_42 H16A_42 109.1 . . ?
C17_42 C16_42 H16A_42 109.1 . . ?
C15_42 C16_42 H16B_42 109.1 . . ?
C17_42 C16_42 H16B_42 109.1 . . ?
H16A_42 C16_42 H16B_42 107.8 . . ?
C18_42 C17_42 C16_42 110.0(11) . . ?
C18_42 C17_42 H17A_42 109.7 . . ?
C16_42 C17_42 H17A_42 109.7 . . ?
C18_42 C17_42 H17B_42 109.7 . . ?
C16_42 C17_42 H17B_42 109.7 . . ?
H17A_42 C17_42 H17B_42 108.2 . . ?
C19_42 C18_42 C17_42 111.9(11) . . ?
C19_42 C18_42 H18A_42 109.2 . . ?
C17_42 C18_42 H18A_42 109.2 . . ?
C19_42 C18_42 H18B_42 109.2 . . ?
C17_42 C18_42 H18B_42 109.2 . . ?
H18A_42 C18_42 H18B_42 107.9 . . ?
C18_42 C19_42 C20_42 111.8(11) . . ?
C18_42 C19_42 H19A_42 109.2 . . ?
C20_42 C19_42 H19A_42 109.2 . . ?
C18_42 C19_42 H19B_42 109.2 . . ?
C20_42 C19_42 H19B_42 109.2 . . ?
H19A_42 C19_42 H19B_42 107.9 . . ?
C19_42 C20_42 C15_42 111.3(10) . . ?
C19_42 C20_42 H20A_42 109.4 . . ?
C15_42 C20_42 H20A_42 109.4 . . ?
C19_42 C20_42 H20B_42 109.4 . . ?
C15_42 C20_42 H20B_42 109.4 . . ?
H20A_42 C20_42 H20B_42 108.0 . . ?
C22_42 C21_42 C26_42 110.9(8) . . ?
C22_42 C21_42 P2_42 110.6(8) . . ?
C26_42 C21_42 P2_42 116.5(9) . . ?
C22_42 C21_42 H21_42 106.0 . . ?
C26_42 C21_42 H21_42 106.0 . . ?
P2_42 C21_42 H21_42 106.0 . . ?
C23_42 C22_42 C21_42 111.3(9) . . ?
C23_42 C22_42 H22A_42 109.4 . . ?
C21_42 C22_42 H22A_42 109.4 . . ?
C23_42 C22_42 H22B_42 109.4 . . ?
C21_42 C22_42 H22B_42 109.4 . . ?
H22A_42 C22_42 H22B_42 108.0 . . ?
C22_42 C23_42 C24_42 109.5(10) . . ?
C22_42 C23_42 H23A_42 109.8 . . ?
C24_42 C23_42 H23A_42 109.8 . . ?
C22_42 C23_42 H23B_42 109.8 . . ?
C24_42 C23_42 H23B_42 109.8 . . ?
H23A_42 C23_42 H23B_42 108.2 . . ?
C25_42 C24_42 C23_42 110.8(9) . . ?
C25_42 C24_42 H24A_42 109.5 . . ?
C23_42 C24_42 H24A_42 109.5 . . ?
C25_42 C24_42 H24B_42 109.5 . . ?
C23_42 C24_42 H24B_42 109.5 . . ?
H24A_42 C24_42 H24B_42 108.1 . . ?
C26_42 C25_42 C24_42 111.5(9) . . ?
C26_42 C25_42 H25A_42 109.3 . . ?
C24_42 C25_42 H25A_42 109.3 . . ?
C26_42 C25_42 H25B_42 109.3 . . ?
C24_42 C25_42 H25B_42 109.3 . . ?
H25A_42 C25_42 H25B_42 108.0 . . ?
C25_42 C26_42 C21_42 110.1(8) . . ?
C25_42 C26_42 H26A_42 109.7 . . ?
C21_42 C26_42 H26A_42 109.7 . . ?
C25_42 C26_42 H26B_42 109.7 . . ?
C21_42 C26_42 H26B_42 109.7 . . ?
H26A_42 C26_42 H26B_42 108.2 . . ?
C7_43 P1_43 C13_43 108.6(15) . . ?
C7_43 P1_43 C1_43 112.0(13) . . ?
C13_43 P1_43 C1_43 110.9(14) . . ?
C7_43 P1_43 Ga6 100.2(12) . . ?
C13_43 P1_43 Ga6 100.5(9) . . ?
C1_43 P1_43 Ga6 123.2(11) . . ?
C21_43 P2_43 C15_43 107.9(14) . . ?
C21_43 P2_43 C14_43 104.3(13) . . ?
C15_43 P2_43 C14_43 102.8(14) . . ?
C21_43 P2_43 Ga6 113.6(12) . . ?
C15_43 P2_43 Ga6 122.3(14) . . ?
C14_43 P2_43 Ga6 103.7(12) . . ?
C2_43 C1_43 C6_43 110.9(14) . . ?
C2_43 C1_43 P1_43 113.7(17) . . ?
C6_43 C1_43 P1_43 110.6(16) . . ?
C2_43 C1_43 H1_43 107.1 . . ?
C6_43 C1_43 H1_43 107.1 . . ?
P1_43 C1_43 H1_43 107.1 . . ?
C1_43 C2_43 C3_43 111.0(13) . . ?
C1_43 C2_43 H2A_43 109.4 . . ?
C3_43 C2_43 H2A_43 109.4 . . ?
C1_43 C2_43 H2B_43 109.4 . . ?
C3_43 C2_43 H2B_43 109.4 . . ?
H2A_43 C2_43 H2B_43 108.0 . . ?
C4_43 C3_43 C2_43 111.6(14) . . ?
C4_43 C3_43 H3A_43 109.3 . . ?
C2_43 C3_43 H3A_43 109.3 . . ?
C4_43 C3_43 H3B_43 109.3 . . ?
C2_43 C3_43 H3B_43 109.3 . . ?
H3A_43 C3_43 H3B_43 108.0 . . ?
C5_43 C4_43 C3_43 112.6(14) . . ?
C5_43 C4_43 H4A_43 109.1 . . ?
C3_43 C4_43 H4A_43 109.1 . . ?
C5_43 C4_43 H4B_43 109.1 . . ?
C3_43 C4_43 H4B_43 109.1 . . ?
H4A_43 C4_43 H4B_43 107.8 . . ?
C4_43 C5_43 C6_43 111.8(14) . . ?
C4_43 C5_43 H5A_43 109.2 . . ?
C6_43 C5_43 H5A_43 109.2 . . ?
C4_43 C5_43 H5B_43 109.2 . . ?
C6_43 C5_43 H5B_43 109.2 . . ?
H5A_43 C5_43 H5B_43 107.9 . . ?
C1_43 C6_43 C5_43 111.2(13) . . ?
C1_43 C6_43 H6A_43 109.4 . . ?
C5_43 C6_43 H6A_43 109.4 . . ?
C1_43 C6_43 H6B_43 109.4 . . ?
C5_43 C6_43 H6B_43 109.4 . . ?
H6A_43 C6_43 H6B_43 108.0 . . ?
C8_43 C7_43 C12_43 113.0(14) . . ?
C8_43 C7_43 P1_43 122.6(18) . . ?
C12_43 C7_43 P1_43 116.2(16) . . ?
C8_43 C7_43 H7_43 99.6 . . ?
C12_43 C7_43 H7_43 99.6 . . ?
P1_43 C7_43 H7_43 99.6 . . ?
C7_43 C8_43 C9_43 111.7(14) . . ?
C7_43 C8_43 H8A_43 109.3 . . ?
C9_43 C8_43 H8A_43 109.3 . . ?
C7_43 C8_43 H8B_43 109.3 . . ?
C9_43 C8_43 H8B_43 109.3 . . ?
H8A_43 C8_43 H8B_43 107.9 . . ?
C10_43 C9_43 C8_43 112.1(14) . . ?
C10_43 C9_43 H9A_43 109.2 . . ?
C8_43 C9_43 H9A_43 109.2 . . ?
C10_43 C9_43 H9B_43 109.2 . . ?
C8_43 C9_43 H9B_43 109.2 . . ?
H9A_43 C9_43 H9B_43 107.9 . . ?
C9_43 C10_43 C11_43 113.3(15) . . ?
C9_43 C10_43 H10A_43 108.9 . . ?
C11_43 C10_43 H10A_43 108.9 . . ?
C9_43 C10_43 H10B_43 108.9 . . ?
C11_43 C10_43 H10B_43 108.9 . . ?
H10A_43 C10_43 H10B_43 107.7 . . ?
C10_43 C11_43 C12_43 111.5(14) . . ?
C10_43 C11_43 H11A_43 109.3 . . ?
C12_43 C11_43 H11A_43 109.3 . . ?
C10_43 C11_43 H11B_43 109.3 . . ?
C12_43 C11_43 H11B_43 109.3 . . ?
H11A_43 C11_43 H11B_43 108.0 . . ?
C7_43 C12_43 C11_43 111.0(14) . . ?
C7_43 C12_43 H12A_43 109.4 . . ?
C11_43 C12_43 H12A_43 109.4 . . ?
C7_43 C12_43 H12B_43 109.4 . . ?
C11_43 C12_43 H12B_43 109.4 . . ?
H12A_43 C12_43 H12B_43 108.0 . . ?
C14_43 C13_43 P1_43 114.9(18) . . ?
C14_43 C13_43 H13A_43 108.5 . . ?
P1_43 C13_43 H13A_43 108.5 . . ?
C14_43 C13_43 H13B_43 108.5 . . ?
P1_43 C13_43 H13B_43 108.5 . . ?
H13A_43 C13_43 H13B_43 107.5 . . ?
C13_43 C14_43 P2_43 116.7(18) . . ?
C13_43 C14_43 H14A_43 108.1 . . ?
P2_43 C14_43 H14A_43 108.1 . . ?
C13_43 C14_43 H14B_43 108.1 . . ?
P2_43 C14_43 H14B_43 108.1 . . ?
H14A_43 C14_43 H14B_43 107.3 . . ?
C16_43 C15_43 C20_43 111.4(14) . . ?
C16_43 C15_43 P2_43 114.9(18) . . ?
C20_43 C15_43 P2_43 113.4(18) . . ?
C16_43 C15_43 H15_43 105.4 . . ?
C20_43 C15_43 H15_43 105.4 . . ?
P2_43 C15_43 H15_43 105.4 . . ?
C15_43 C16_43 C17_43 110.7(14) . . ?
C15_43 C16_43 H16A_43 109.5 . . ?
C17_43 C16_43 H16A_43 109.5 . . ?
C15_43 C16_43 H16B_43 109.5 . . ?
C17_43 C16_43 H16B_43 109.5 . . ?
H16A_43 C16_43 H16B_43 108.1 . . ?
C18_43 C17_43 C16_43 111.1(14) . . ?
C18_43 C17_43 H17A_43 109.4 . . ?
C16_43 C17_43 H17A_43 109.4 . . ?
C18_43 C17_43 H17B_43 109.4 . . ?
C16_43 C17_43 H17B_43 109.4 . . ?
H17A_43 C17_43 H17B_43 108.0 . . ?
C19_43 C18_43 C17_43 112.9(15) . . ?
C19_43 C18_43 H18A_43 109.0 . . ?
C17_43 C18_43 H18A_43 109.0 . . ?
C19_43 C18_43 H18B_43 109.0 . . ?
C17_43 C18_43 H18B_43 109.0 . . ?
H18A_43 C18_43 H18B_43 107.8 . . ?
C18_43 C19_43 C20_43 111.6(15) . . ?
C18_43 C19_43 H19A_43 109.3 . . ?
C20_43 C19_43 H19A_43 109.3 . . ?
C18_43 C19_43 H19B_43 109.3 . . ?
C20_43 C19_43 H19B_43 109.3 . . ?
H19A_43 C19_43 H19B_43 108.0 . . ?
C15_43 C20_43 C19_43 110.6(14) . . ?
C15_43 C20_43 H20A_43 109.5 . . ?
C19_43 C20_43 H20A_43 109.5 . . ?
C15_43 C20_43 H20B_43 109.5 . . ?
C19_43 C20_43 H20B_43 109.5 . . ?
H20A_43 C20_43 H20B_43 108.1 . . ?
C22_43 C21_43 C26_43 111.5(13) . . ?
C22_43 C21_43 P2_43 110.8(15) . . ?
C26_43 C21_43 P2_43 114.9(16) . . ?
C22_43 C21_43 H21_43 106.4 . . ?
C26_43 C21_43 H21_43 106.4 . . ?
P2_43 C21_43 H21_43 106.4 . . ?
C21_43 C22_43 C23_43 110.5(13) . . ?
C21_43 C22_43 H22A_43 109.6 . . ?
C23_43 C22_43 H22A_43 109.6 . . ?
C21_43 C22_43 H22B_43 109.6 . . ?
C23_43 C22_43 H22B_43 109.6 . . ?
H22A_43 C22_43 H22B_43 108.1 . . ?
C24_43 C23_43 C22_43 111.2(14) . . ?
C24_43 C23_43 H23A_43 109.4 . . ?
C22_43 C23_43 H23A_43 109.4 . . ?
C24_43 C23_43 H23B_43 109.4 . . ?
C22_43 C23_43 H23B_43 109.4 . . ?
H23A_43 C23_43 H23B_43 108.0 . . ?
C25_43 C24_43 C23_43 113.1(14) . . ?
C25_43 C24_43 H24A_43 109.0 . . ?
C23_43 C24_43 H24A_43 109.0 . . ?
C25_43 C24_43 H24B_43 109.0 . . ?
C23_43 C24_43 H24B_43 109.0 . . ?
H24A_43 C24_43 H24B_43 107.8 . . ?
C24_43 C25_43 C26_43 111.5(15) . . ?
C24_43 C25_43 H25A_43 109.3 . . ?
C26_43 C25_43 H25A_43 109.3 . . ?
C24_43 C25_43 H25B_43 109.3 . . ?
C26_43 C25_43 H25B_43 109.3 . . ?
H25A_43 C25_43 H25B_43 108.0 . . ?
C21_43 C26_43 C25_43 110.4(14) . . ?
C21_43 C26_43 H26A_43 109.6 . . ?
C25_43 C26_43 H26A_43 109.6 . . ?
C21_43 C26_43 H26B_43 109.6 . . ?
C25_43 C26_43 H26B_43 109.6 . . ?
H26A_43 C26_43 H26B_43 108.1 . . ?
C7_44 P1_44 C1_44 110.5(13) . . ?
C7_44 P1_44 C13_44 108.2(13) . . ?
C1_44 P1_44 C13_44 110.4(15) . . ?
C7_44 P1_44 Ga5 124.3(12) . . ?
C1_44 P1_44 Ga5 99.6(12) . . ?
C13_44 P1_44 Ga5 103.1(12) . . ?
C21_44 P2_44 C14_44 108.6(15) . . ?
C21_44 P2_44 C15_44 112.1(15) . . ?
C14_44 P2_44 C15_44 104.5(14) . . ?
C21_44 P2_44 Ga5 112.1(15) . . ?
C14_44 P2_44 Ga5 103.3(11) . . ?
C15_44 P2_44 Ga5 115.2(14) . . ?
C2_44 C1_44 C6_44 111.9(11) . . ?
C2_44 C1_44 P1_44 117.6(18) . . ?
C6_44 C1_44 P1_44 113.3(17) . . ?
C2_44 C1_44 H1_44 104.1 . . ?
C6_44 C1_44 H1_44 104.1 . . ?
P1_44 C1_44 H1_44 104.1 . . ?
C1_44 C2_44 C3_44 111.0(14) . . ?
C1_44 C2_44 H2A_44 109.4 . . ?
C3_44 C2_44 H2A_44 109.4 . . ?
C1_44 C2_44 H2B_44 109.4 . . ?
C3_44 C2_44 H2B_44 109.4 . . ?
H2A_44 C2_44 H2B_44 108.0 . . ?
C4_44 C3_44 C2_44 111.3(12) . . ?
C4_44 C3_44 H3A_44 109.4 . . ?
C2_44 C3_44 H3A_44 109.4 . . ?
C4_44 C3_44 H3B_44 109.4 . . ?
C2_44 C3_44 H3B_44 109.4 . . ?
H3A_44 C3_44 H3B_44 108.0 . . ?
C3_44 C4_44 C5_44 112.1(11) . . ?
C3_44 C4_44 H4A_44 109.2 . . ?
C5_44 C4_44 H4A_44 109.2 . . ?
C3_44 C4_44 H4B_44 109.2 . . ?
C5_44 C4_44 H4B_44 109.2 . . ?
H4A_44 C4_44 H4B_44 107.9 . . ?
C4_44 C5_44 C6_44 111.5(14) . . ?
C4_44 C5_44 H5A_44 109.3 . . ?
C6_44 C5_44 H5A_44 109.3 . . ?
C4_44 C5_44 H5B_44 109.3 . . ?
C6_44 C5_44 H5B_44 109.3 . . ?
H5A_44 C5_44 H5B_44 108.0 . . ?
C1_44 C6_44 C5_44 111.4(12) . . ?
C1_44 C6_44 H6A_44 109.4 . . ?
C5_44 C6_44 H6A_44 109.4 . . ?
C1_44 C6_44 H6B_44 109.4 . . ?
C5_44 C6_44 H6B_44 109.4 . . ?
H6A_44 C6_44 H6B_44 108.0 . . ?
C8_44 C7_44 C12_44 111.5(14) . . ?
C8_44 C7_44 P1_44 115.9(17) . . ?
C12_44 C7_44 P1_44 112.7(16) . . ?
C8_44 C7_44 H7_44 105.2 . . ?
C12_44 C7_44 H7_44 105.2 . . ?
P1_44 C7_44 H7_44 105.2 . . ?
C7_44 C8_44 C9_44 111.3(14) . . ?
C7_44 C8_44 H8A_44 109.4 . . ?
C9_44 C8_44 H8A_44 109.4 . . ?
C7_44 C8_44 H8B_44 109.4 . . ?
C9_44 C8_44 H8B_44 109.4 . . ?
H8A_44 C8_44 H8B_44 108.0 . . ?
C10_44 C9_44 C8_44 111.8(14) . . ?
C10_44 C9_44 H9A_44 109.3 . . ?
C8_44 C9_44 H9A_44 109.3 . . ?
C10_44 C9_44 H9B_44 109.3 . . ?
C8_44 C9_44 H9B_44 109.3 . . ?
H9A_44 C9_44 H9B_44 107.9 . . ?
C9_44 C10_44 C11_44 112.3(15) . . ?
C9_44 C10_44 H10A_44 109.2 . . ?
C11_44 C10_44 H10A_44 109.2 . . ?
C9_44 C10_44 H10B_44 109.2 . . ?
C11_44 C10_44 H10B_44 109.2 . . ?
H10A_44 C10_44 H10B_44 107.9 . . ?
C10_44 C11_44 C12_44 111.0(14) . . ?
C10_44 C11_44 H11A_44 109.4 . . ?
C12_44 C11_44 H11A_44 109.4 . . ?
C10_44 C11_44 H11B_44 109.4 . . ?
C12_44 C11_44 H11B_44 109.4 . . ?
H11A_44 C11_44 H11B_44 108.0 . . ?
C7_44 C12_44 C11_44 110.5(14) . . ?
C7_44 C12_44 F8 113.9(17) . . ?
C11_44 C12_44 F8 135.5(19) . . ?
C7_44 C12_44 H12A_44 109.5 . . ?
C11_44 C12_44 H12A_44 109.5 . . ?
F8 C12_44 H12A_44 56.3 . . ?
C7_44 C12_44 H12B_44 109.5 . . ?
C11_44 C12_44 H12B_44 109.5 . . ?
F8 C12_44 H12B_44 53.3 . . ?
H12A_44 C12_44 H12B_44 108.1 . . ?
C14_44 C13_44 P1_44 113.4(17) . . ?
C14_44 C13_44 H13A_44 108.9 . . ?
P1_44 C13_44 H13A_44 108.9 . . ?
C14_44 C13_44 H13B_44 108.9 . . ?
P1_44 C13_44 H13B_44 108.9 . . ?
H13A_44 C13_44 H13B_44 107.7 . . ?
C13_44 C14_44 P2_44 114.4(18) . . ?
C13_44 C14_44 H14A_44 108.7 . . ?
P2_44 C14_44 H14A_44 108.7 . . ?
C13_44 C14_44 H14B_44 108.7 . . ?
P2_44 C14_44 H14B_44 108.7 . . ?
H14A_44 C14_44 H14B_44 107.6 . . ?
C16_44 C15_44 C20_44 111.3(14) . . ?
C16_44 C15_44 P2_44 112.2(17) . . ?
C20_44 C15_44 P2_44 113.6(18) . . ?
C16_44 C15_44 H15_44 106.4 . . ?
C20_44 C15_44 H15_44 106.4 . . ?
P2_44 C15_44 H15_44 106.4 . . ?
C15_44 C16_44 C17_44 111.1(14) . . ?
C15_44 C16_44 H16A_44 109.4 . . ?
C17_44 C16_44 H16A_44 109.4 . . ?
C15_44 C16_44 H16B_44 109.4 . . ?
C17_44 C16_44 H16B_44 109.4 . . ?
H16A_44 C16_44 H16B_44 108.0 . . ?
C18_44 C17_44 C16_44 111.5(14) . . ?
C18_44 C17_44 H17A_44 109.3 . . ?
C16_44 C17_44 H17A_44 109.3 . . ?
C18_44 C17_44 H17B_44 109.3 . . ?
C16_44 C17_44 H17B_44 109.3 . . ?
H17A_44 C17_44 H17B_44 108.0 . . ?
C17_44 C18_44 C19_44 112.5(15) . . ?
C17_44 C18_44 H18A_44 109.1 . . ?
C19_44 C18_44 H18A_44 109.1 . . ?
C17_44 C18_44 H18B_44 109.1 . . ?
C19_44 C18_44 H18B_44 109.1 . . ?
H18A_44 C18_44 H18B_44 107.8 . . ?
C18_44 C19_44 C20_44 111.3(14) . . ?
C18_44 C19_44 H19A_44 109.4 . . ?
C20_44 C19_44 H19A_44 109.4 . . ?
C18_44 C19_44 H19B_44 109.4 . . ?
C20_44 C19_44 H19B_44 109.4 . . ?
H19A_44 C19_44 H19B_44 108.0 . . ?
C15_44 C20_44 C19_44 110.7(14) . . ?
C15_44 C20_44 H20A_44 109.5 . . ?
C19_44 C20_44 H20A_44 109.5 . . ?
C15_44 C20_44 H20B_44 109.5 . . ?
C19_44 C20_44 H20B_44 109.5 . . ?
H20A_44 C20_44 H20B_44 108.1 . . ?
C26_44 C21_44 C22_44 111.8(14) . . ?
C26_44 C21_44 P2_44 119.0(19) . . ?
C22_44 C21_44 P2_44 112.7(17) . . ?
C26_44 C21_44 H21_44 103.8 . . ?
C22_44 C21_44 H21_44 103.8 . . ?
P2_44 C21_44 H21_44 103.8 . . ?
C21_44 C22_44 C23_44 111.0(14) . . ?
C21_44 C22_44 H22A_44 109.4 . . ?
C23_44 C22_44 H22A_44 109.4 . . ?
C21_44 C22_44 H22B_44 109.4 . . ?
C23_44 C22_44 H22B_44 109.4 . . ?
H22A_44 C22_44 H22B_44 108.0 . . ?
C24_44 C23_44 C22_44 111.5(14) . . ?
C24_44 C23_44 H23A_44 109.3 . . ?
C22_44 C23_44 H23A_44 109.3 . . ?
C24_44 C23_44 H23B_44 109.3 . . ?
C22_44 C23_44 H23B_44 109.3 . . ?
H23A_44 C23_44 H23B_44 108.0 . . ?
C23_44 C24_44 C25_44 112.7(15) . . ?
C23_44 C24_44 H24A_44 109.1 . . ?
C25_44 C24_44 H24A_44 109.1 . . ?
C23_44 C24_44 H24B_44 109.1 . . ?
C25_44 C24_44 H24B_44 109.1 . . ?
H24A_44 C24_44 H24B_44 107.8 . . ?
C24_44 C25_44 C26_44 111.7(15) . . ?
C24_44 C25_44 H25A_44 109.3 . . ?
C26_44 C25_44 H25A_44 109.3 . . ?
C24_44 C25_44 H25B_44 109.3 . . ?
C26_44 C25_44 H25B_44 109.3 . . ?
H25A_44 C25_44 H25B_44 107.9 . . ?
C21_44 C26_44 C25_44 111.0(14) . . ?
C21_44 C26_44 H26A_44 109.4 . . ?
C25_44 C26_44 H26A_44 109.4 . . ?
C21_44 C26_44 H26B_44 109.4 . . ?
C25_44 C26_44 H26B_44 109.4 . . ?
H26A_44 C26_44 H26B_44 108.0 . . ?
C1_45 O1_45 Al1 153(2) . . ?
O1_45 C1_45 C4_45 110.6(15) . . ?
O1_45 C1_45 C2_45 112.8(15) . . ?
C4_45 C1_45 C2_45 109.2(11) . . ?
O1_45 C1_45 C3_45 109.2(15) . . ?
C4_45 C1_45 C3_45 106.0(11) . . ?
C2_45 C1_45 C3_45 108.8(11) . . ?
F2_45 C2_45 F3_45 106.1(17) . . ?
F2_45 C2_45 F1_45 108.4(15) . . ?
F3_45 C2_45 F1_45 111.5(17) . . ?
F2_45 C2_45 C1_45 113.0(13) . . ?
F3_45 C2_45 C1_45 111.2(14) . . ?
F1_45 C2_45 C1_45 106.7(12) . . ?
F5_45 C3_45 F6_45 105.3(16) . . ?
F5_45 C3_45 F4_45 115.3(16) . . ?
F6_45 C3_45 F4_45 107.7(15) . . ?
F5_45 C3_45 C1_45 109.1(14) . . ?
F6_45 C3_45 C1_45 111.7(13) . . ?
F4_45 C3_45 C1_45 107.8(13) . . ?
F9_45 C4_45 F7_45 110.5(17) . . ?
F9_45 C4_45 F8_45 107.0(16) . . ?
F7_45 C4_45 F8_45 102.8(14) . . ?
F9_45 C4_45 C1_45 114.5(14) . . ?
F7_45 C4_45 C1_45 111.7(13) . . ?
F8_45 C4_45 C1_45 109.6(13) . . ?
C1_46 O1_46 Al7 154(2) . . ?
O1_46 C1_46 C3_46 108.2(15) . . ?
O1_46 C1_46 C4_46 110.8(14) . . ?
C3_46 C1_46 C4_46 108.9(12) . . ?
O1_46 C1_46 C2_46 111.2(16) . . ?
C3_46 C1_46 C2_46 109.1(11) . . ?
C4_46 C1_46 C2_46 108.6(11) . . ?
F2_46 C2_46 F3_46 107.9(16) . . ?
F2_46 C2_46 F1_46 107.1(17) . . ?
F3_46 C2_46 F1_46 109.5(15) . . ?
F2_46 C2_46 C1_46 111.0(15) . . ?
F3_46 C2_46 C1_46 111.5(14) . . ?
F1_46 C2_46 C1_46 109.6(12) . . ?
F6_46 C3_46 F4_46 105.3(18) . . ?
F6_46 C3_46 F5_46 108.9(19) . . ?
F4_46 C3_46 F5_46 110.7(16) . . ?
F6_46 C3_46 C1_46 113.5(18) . . ?
F4_46 C3_46 C1_46 109.9(13) . . ?
F5_46 C3_46 C1_46 108.6(13) . . ?
F9_46 C4_46 F7_46 110.0(15) . . ?
F9_46 C4_46 F8_46 106.2(16) . . ?
F7_46 C4_46 F8_46 104.9(17) . . ?
F9_46 C4_46 C1_46 110.8(13) . . ?
F7_46 C4_46 C1_46 113.5(13) . . ?
F8_46 C4_46 C1_46 111.1(16) . . ?
C1_47 O1_47 Al4 147.9(8) . . ?
O1_47 C1_47 C4_47 111.4(8) . . ?
O1_47 C1_47 C3_47 109.5(9) . . ?
C4_47 C1_47 C3_47 109.5(8) . . ?
O1_47 C1_47 C2_47 108.5(8) . . ?
C4_47 C1_47 C2_47 108.0(8) . . ?
C3_47 C1_47 C2_47 109.8(9) . . ?
F1_47 C2_47 F2_47 106.5(11) . . ?
F1_47 C2_47 F3_47 112.5(11) . . ?
F2_47 C2_47 F3_47 107.1(11) . . ?
F1_47 C2_47 C1_47 111.0(9) . . ?
F2_47 C2_47 C1_47 110.3(10) . . ?
F3_47 C2_47 C1_47 109.2(9) . . ?
F6_47 C3_47 F5_47 112.4(11) . . ?
F6_47 C3_47 F4_47 106.2(12) . . ?
F5_47 C3_47 F4_47 106.8(11) . . ?
F6_47 C3_47 C1_47 111.0(10) . . ?
F5_47 C3_47 C1_47 110.2(10) . . ?
F4_47 C3_47 C1_47 110.0(10) . . ?
F9_47 C4_47 F7_47 109.2(10) . . ?
F9_47 C4_47 F8_47 107.6(9) . . ?
F7_47 C4_47 F8_47 106.7(9) . . ?
F9_47 C4_47 C1_47 110.5(8) . . ?
F7_47 C4_47 C1_47 110.0(8) . . ?
F8_47 C4_47 C1_47 112.6(9) . . ?
C1_48 O1_48 Al6 153.4(15) . . ?
O1_48 C1_48 C4_48 109.5(12) . . ?
O1_48 C1_48 C2_48 109.3(12) . . ?
C4_48 C1_48 C2_48 114.2(11) . . ?
O1_48 C1_48 C3_48 107.5(12) . . ?
C4_48 C1_48 C3_48 108.2(10) . . ?
C2_48 C1_48 C3_48 107.9(10) . . ?
F2_48 C2_48 F3_48 109.9(15) . . ?
F2_48 C2_48 F1_48 105.7(14) . . ?
F3_48 C2_48 F1_48 113.3(15) . . ?
F2_48 C2_48 C1_48 112.8(14) . . ?
F3_48 C2_48 C1_48 107.8(11) . . ?
F1_48 C2_48 C1_48 107.4(12) . . ?
F6_48 C3_48 F4_48 121.7(15) . . ?
F6_48 C3_48 F5_48 100.0(14) . . ?
F4_48 C3_48 F5_48 112.3(14) . . ?
F6_48 C3_48 C1_48 108.9(12) . . ?
F4_48 C3_48 C1_48 107.1(11) . . ?
F5_48 C3_48 C1_48 105.9(11) . . ?
F9_48 C4_48 F7_48 115.9(15) . . ?
F9_48 C4_48 F8_48 111.0(16) . . ?
F7_48 C4_48 F8_48 106.0(14) . . ?
F9_48 C4_48 C1_48 108.6(12) . . ?
F7_48 C4_48 C1_48 108.0(12) . . ?
F8_48 C4_48 C1_48 107.0(13) . . ?
C1_49 O1_49 Al1 152.6(16) . . ?
O1_49 C1_49 C4_49 108.3(13) . . ?
O1_49 C1_49 C2_49 111.5(13) . . ?
C4_49 C1_49 C2_49 106.8(11) . . ?
O1_49 C1_49 C3_49 111.0(13) . . ?
C4_49 C1_49 C3_49 110.0(11) . . ?
C2_49 C1_49 C3_49 109.1(11) . . ?
F3_49 C2_49 F2_49 106.8(17) . . ?
F3_49 C2_49 F1_49 107.3(15) . . ?
F2_49 C2_49 F1_49 110.7(15) . . ?
F3_49 C2_49 C1_49 111.2(15) . . ?
F2_49 C2_49 C1_49 110.5(13) . . ?
F1_49 C2_49 C1_49 110.3(13) . . ?
F4_49 C3_49 F5_49 109.3(16) . . ?
F4_49 C3_49 F6_49 103.7(14) . . ?
F5_49 C3_49 F6_49 109.6(16) . . ?
F4_49 C3_49 C1_49 112.0(13) . . ?
F5_49 C3_49 C1_49 109.3(13) . . ?
F6_49 C3_49 C1_49 112.7(14) . . ?
F7_49 C4_49 F8_49 109.9(16) . . ?
F7_49 C4_49 F9_49 106.6(16) . . ?
F8_49 C4_49 F9_49 110.9(17) . . ?
F7_49 C4_49 C1_49 110.3(15) . . ?
F8_49 C4_49 C1_49 110.0(14) . . ?
F9_49 C4_49 C1_49 109.2(13) . . ?
C2_28 C1_28 C6_28 111.9(6) . . ?
C2_28 C1_28 P1 113.3(5) . . ?
C6_28 C1_28 P1 109.5(4) . . ?
C2_28 C1_28 H1_28 107.3 . . ?
C6_28 C1_28 H1_28 107.3 . . ?
P1 C1_28 H1_28 107.3 . . ?
C3_28 C2_28 C1_28 110.4(7) . . ?
C3_28 C2_28 H2A_28 109.6 . . ?
C1_28 C2_28 H2A_28 109.6 . . ?
C3_28 C2_28 H2B_28 109.6 . . ?
C1_28 C2_28 H2B_28 109.6 . . ?
H2A_28 C2_28 H2B_28 108.1 . . ?
C2_28 C3_28 C4_28 111.6(7) . . ?
C2_28 C3_28 H3A_28 109.3 . . ?
C4_28 C3_28 H3A_28 109.3 . . ?
C2_28 C3_28 H3B_28 109.3 . . ?
C4_28 C3_28 H3B_28 109.3 . . ?
H3A_28 C3_28 H3B_28 108.0 . . ?
C5_28 C4_28 C3_28 110.0(7) . . ?
C5_28 C4_28 H4A_28 109.7 . . ?
C3_28 C4_28 H4A_28 109.7 . . ?
C5_28 C4_28 H4B_28 109.7 . . ?
C3_28 C4_28 H4B_28 109.7 . . ?
H4A_28 C4_28 H4B_28 108.2 . . ?
C6_28 C5_28 C4_28 111.7(7) . . ?
C6_28 C5_28 H5A_28 109.3 . . ?
C4_28 C5_28 H5A_28 109.3 . . ?
C6_28 C5_28 H5B_28 109.3 . . ?
C4_28 C5_28 H5B_28 109.3 . . ?
H5A_28 C5_28 H5B_28 108.0 . . ?
C5_28 C6_28 C1_28 110.7(6) . . ?
C5_28 C6_28 H6A_28 109.5 . . ?
C1_28 C6_28 H6A_28 109.5 . . ?
C5_28 C6_28 H6B_28 109.5 . . ?
C1_28 C6_28 H6B_28 109.5 . . ?
H6A_28 C6_28 H6B_28 108.1 . . ?
C2_50 C1_50 C6_50 110.4(5) . . ?
C2_50 C1_50 P1 115.2(4) . . ?
C6_50 C1_50 P1 109.8(4) . . ?
C2_50 C1_50 H1_50 107.0 . . ?
C6_50 C1_50 H1_50 107.0 . . ?
P1 C1_50 H1_50 107.0 . . ?
C3_50 C2_50 C1_50 110.7(5) . . ?
C3_50 C2_50 H2A_50 109.5 . . ?
C1_50 C2_50 H2A_50 109.5 . . ?
C3_50 C2_50 H2B_50 109.5 . . ?
C1_50 C2_50 H2B_50 109.5 . . ?
H2A_50 C2_50 H2B_50 108.1 . . ?
C4_50 C3_50 C2_50 111.4(6) . . ?
C4_50 C3_50 H3A_50 109.4 . . ?
C2_50 C3_50 H3A_50 109.3 . . ?
C4_50 C3_50 H3B_50 109.4 . . ?
C2_50 C3_50 H3B_50 109.3 . . ?
H3A_50 C3_50 H3B_50 108.0 . . ?
C3_50 C4_50 C5_50 111.6(6) . . ?
C3_50 C4_50 H4A_50 109.3 . . ?
C5_50 C4_50 H4A_50 109.3 . . ?
C3_50 C4_50 H4B_50 109.3 . . ?
C5_50 C4_50 H4B_50 109.3 . . ?
H4A_50 C4_50 H4B_50 108.0 . . ?
C6_50 C5_50 C4_50 111.4(5) . . ?
C6_50 C5_50 H5A_50 109.3 . . ?
C4_50 C5_50 H5A_50 109.3 . . ?
C6_50 C5_50 H5B_50 109.3 . . ?
C4_50 C5_50 H5B_50 109.3 . . ?
H5A_50 C5_50 H5B_50 108.0 . . ?
C5_50 C6_50 C1_50 111.0(5) . . ?
C5_50 C6_50 H6A_50 109.4 . . ?
C1_50 C6_50 H6A_50 109.4 . . ?
C5_50 C6_50 H6B_50 109.4 . . ?
C1_50 C6_50 H6B_50 109.4 . . ?
H6A_50 C6_50 H6B_50 108.0 . . ?
C6_51 C1_51 C2_51 110.1(6) . . ?
C6_51 C1_51 P2 113.4(5) . . ?
C2_51 C1_51 P2 112.6(6) . . ?
C6_51 C1_51 H1_51 106.8 . . ?
C2_51 C1_51 H1_51 106.8 . . ?
P2 C1_51 H1_51 106.8 . . ?
C1_51 C2_51 C3_51 109.1(7) . . ?
C1_51 C2_51 H2A_51 109.9 . . ?
C3_51 C2_51 H2A_51 109.9 . . ?
C1_51 C2_51 H2B_51 109.9 . . ?
C3_51 C2_51 H2B_51 109.9 . . ?
H2A_51 C2_51 H2B_51 108.3 . . ?
C4_51 C3_51 C2_51 111.3(7) . . ?
C4_51 C3_51 H3A_51 109.4 . . ?
C2_51 C3_51 H3A_51 109.4 . . ?
C4_51 C3_51 H3B_51 109.4 . . ?
C2_51 C3_51 H3B_51 109.4 . . ?
H3A_51 C3_51 H3B_51 108.0 . . ?
C3_51 C4_51 C5_51 110.4(8) . . ?
C3_51 C4_51 H4A_51 109.6 . . ?
C5_51 C4_51 H4A_51 109.6 . . ?
C3_51 C4_51 H4B_51 109.6 . . ?
C5_51 C4_51 H4B_51 109.6 . . ?
H4A_51 C4_51 H4B_51 108.1 . . ?
C6_51 C5_51 C4_51 111.1(7) . . ?
C6_51 C5_51 H5A_51 109.4 . . ?
C4_51 C5_51 H5A_51 109.4 . . ?
C6_51 C5_51 H5B_51 109.4 . . ?
C4_51 C5_51 H5B_51 109.4 . . ?
H5A_51 C5_51 H5B_51 108.0 . . ?
C1_51 C6_51 C5_51 110.3(7) . . ?
C1_51 C6_51 H6A_51 109.6 . . ?
C5_51 C6_51 H6A_51 109.6 . . ?
C1_51 C6_51 H6B_51 109.6 . . ?
C5_51 C6_51 H6B_51 109.6 . . ?
H6A_51 C6_51 H6B_51 108.1 . . ?
C6_52 C1_52 C2_52 111.0(5) . . ?
C6_52 C1_52 P2 110.4(4) . . ?
C2_52 C1_52 P2 114.2(4) . . ?
C6_52 C1_52 H1_52 107.0 . . ?
C2_52 C1_52 H1_52 107.0 . . ?
P2 C1_52 H1_52 107.0 . . ?
C1_52 C2_52 C3_52 109.6(5) . . ?
C1_52 C2_52 H2A_52 109.8 . . ?
C3_52 C2_52 H2A_52 109.8 . . ?
C1_52 C2_52 H2B_52 109.8 . . ?
C3_52 C2_52 H2B_52 109.8 . . ?
H2A_52 C2_52 H2B_52 108.2 . . ?
C4_52 C3_52 C2_52 110.2(5) . . ?
C4_52 C3_52 H3A_52 109.6 . . ?
C2_52 C3_52 H3A_52 109.6 . . ?
C4_52 C3_52 H3B_52 109.6 . . ?
C2_52 C3_52 H3B_52 109.6 . . ?
H3A_52 C3_52 H3B_52 108.1 . . ?
C5_52 C4_52 C3_52 110.5(6) . . ?
C5_52 C4_52 H4A_52 109.5 . . ?
C3_52 C4_52 H4A_52 109.5 . . ?
C5_52 C4_52 H4B_52 109.5 . . ?
C3_52 C4_52 H4B_52 109.5 . . ?
H4A_52 C4_52 H4B_52 108.1 . . ?
C6_52 C5_52 C4_52 110.5(5) . . ?
C6_52 C5_52 H5A_52 109.5 . . ?
C4_52 C5_52 H5A_52 109.5 . . ?
C6_52 C5_52 H5B_52 109.5 . . ?
C4_52 C5_52 H5B_52 109.5 . . ?
H5A_52 C5_52 H5B_52 108.1 . . ?
C5_52 C6_52 C1_52 110.9(5) . . ?
C5_52 C6_52 H6A_52 109.5 . . ?
C1_52 C6_52 H6A_52 109.5 . . ?
C5_52 C6_52 H6B_52 109.5 . . ?
C1_52 C6_52 H6B_52 109.5 . . ?
H6A_52 C6_52 H6B_52 108.0 . . ?
C2_53 C1_53 C6_53 110.9(19) . . ?
C2_53 C1_53 P2 115.4(14) . . ?
C6_53 C1_53 P2 113.1(13) . . ?
C2_53 C1_53 H1_53 105.5 . . ?
C6_53 C1_53 H1_53 105.5 . . ?
P2 C1_53 H1_53 105.5 . . ?
C1_53 C2_53 C3_53 109.5(18) . . ?
C1_53 C2_53 H2A_53 109.8 . . ?
C3_53 C2_53 H2A_53 109.8 . . ?
C1_53 C2_53 H2B_53 109.8 . . ?
C3_53 C2_53 H2B_53 109.8 . . ?
H2A_53 C2_53 H2B_53 108.2 . . ?
C4_53 C3_53 C2_53 110.4(19) . . ?
C4_53 C3_53 H3A_53 109.6 . . ?
C2_53 C3_53 H3A_53 109.6 . . ?
C4_53 C3_53 H3B_53 109.6 . . ?
C2_53 C3_53 H3B_53 109.6 . . ?
H3A_53 C3_53 H3B_53 108.1 . . ?
C3_53 C4_53 C5_53 110(2) . . ?
C3_53 C4_53 H4A_53 109.6 . . ?
C5_53 C4_53 H4A_53 109.6 . . ?
C3_53 C4_53 H4B_53 109.6 . . ?
C5_53 C4_53 H4B_53 109.6 . . ?
H4A_53 C4_53 H4B_53 108.1 . . ?
C4_53 C5_53 C6_53 109.6(19) . . ?
C4_53 C5_53 H5A_53 109.8 . . ?
C6_53 C5_53 H5A_53 109.8 . . ?
C4_53 C5_53 H5B_53 109.8 . . ?
C6_53 C5_53 H5B_53 109.8 . . ?
H5A_53 C5_53 H5B_53 108.2 . . ?
C1_53 C6_53 C5_53 107.8(18) . . ?
C1_53 C6_53 H6A_53 110.2 . . ?
C5_53 C6_53 H6A_53 110.2 . . ?
C1_53 C6_53 H6B_53 110.2 . . ?
C5_53 C6_53 H6B_53 110.2 . . ?
H6A_53 C6_53 H6B_53 108.5 . . ?
C6_54 C1_54 C2_54 109.0(17) . . ?
C6_54 C1_54 P1 114.4(13) . . ?
C2_54 C1_54 P1 113.9(13) . . ?
C6_54 C1_54 H1_54 106.3 . . ?
C2_54 C1_54 H1_54 106.3 . . ?
P1 C1_54 H1_54 106.3 . . ?
C1_54 C2_54 C3_54 115.2(16) . . ?
C1_54 C2_54 H2A_54 108.5 . . ?
C3_54 C2_54 H2A_54 108.5 . . ?
C1_54 C2_54 H2B_54 108.5 . . ?
C3_54 C2_54 H2B_54 108.5 . . ?
H2A_54 C2_54 H2B_54 107.5 . . ?
C4_54 C3_54 C2_54 111.3(18) . . ?
C4_54 C3_54 H3A_54 109.4 . . ?
C2_54 C3_54 H3A_54 109.4 . . ?
C4_54 C3_54 H3B_54 109.4 . . ?
C2_54 C3_54 H3B_54 109.4 . . ?
H3A_54 C3_54 H3B_54 108.0 . . ?
C5_54 C4_54 C3_54 109.7(18) . . ?
C5_54 C4_54 H4A_54 109.7 . . ?
C3_54 C4_54 H4A_54 109.7 . . ?
C5_54 C4_54 H4B_54 109.7 . . ?
C3_54 C4_54 H4B_54 109.7 . . ?
H4A_54 C4_54 H4B_54 108.2 . . ?
C4_54 C5_54 C6_54 111.3(18) . . ?
C4_54 C5_54 H5A_54 109.4 . . ?
C6_54 C5_54 H5A_54 109.4 . . ?
C4_54 C5_54 H5B_54 109.4 . . ?
C6_54 C5_54 H5B_54 109.4 . . ?
H5A_54 C5_54 H5B_54 108.0 . . ?
C1_54 C6_54 C5_54 113.2(17) . . ?
C1_54 C6_54 H6A_54 108.9 . . ?
C5_54 C6_54 H6A_54 108.9 . . ?
C1_54 C6_54 H6B_54 108.9 . . ?
C5_54 C6_54 H6B_54 108.9 . . ?
H6A_54 C6_54 H6B_54 107.8 . . ?
C1_55 O1_55 Al1 148.3(18) . . ?
O1_55 C1_55 C2_55 107.8(12) . . ?
O1_55 C1_55 C4_55 109.1(13) . . ?
C2_55 C1_55 C4_55 111.7(11) . . ?
O1_55 C1_55 C3_55 113.5(13) . . ?
C2_55 C1_55 C3_55 106.8(10) . . ?
C4_55 C1_55 C3_55 108.1(10) . . ?
F3_55 C2_55 F1_55 110.5(16) . . ?
F3_55 C2_55 F2_55 105.4(15) . . ?
F1_55 C2_55 F2_55 110.5(15) . . ?
F3_55 C2_55 C1_55 113.9(13) . . ?
F1_55 C2_55 C1_55 107.6(12) . . ?
F2_55 C2_55 C1_55 109.0(13) . . ?
F4_55 C3_55 F6_55 108.2(14) . . ?
F4_55 C3_55 F5_55 108.9(14) . . ?
F6_55 C3_55 F5_55 103.6(13) . . ?
F4_55 C3_55 C1_55 111.8(12) . . ?
F6_55 C3_55 C1_55 113.0(12) . . ?
F5_55 C3_55 C1_55 111.0(12) . . ?
F9_55 C4_55 F7_55 111.6(16) . . ?
F9_55 C4_55 F8_55 108.6(15) . . ?
F7_55 C4_55 F8_55 106.5(16) . . ?
F9_55 C4_55 C1_55 112.0(12) . . ?
F7_55 C4_55 C1_55 107.2(14) . . ?
F8_55 C4_55 C1_55 110.9(13) . . ?
C1_56 O1_56 Al2 148(3) . . ?
O1_56 C1_56 C4_56 110.5(18) . . ?
O1_56 C1_56 C2_56 107.4(18) . . ?
C4_56 C1_56 C2_56 111.0(13) . . ?
O1_56 C1_56 C3_56 108.7(18) . . ?
C4_56 C1_56 C3_56 110.1(13) . . ?
C2_56 C1_56 C3_56 109.0(13) . . ?
F2_56 C2_56 F1_56 107.5(19) . . ?
F2_56 C2_56 F3_56 107.6(19) . . ?
F1_56 C2_56 F3_56 107.7(17) . . ?
F2_56 C2_56 C1_56 111.6(19) . . ?
F1_56 C2_56 C1_56 112.0(15) . . ?
F3_56 C2_56 C1_56 110.4(15) . . ?
F5_56 C3_56 F4_56 108.3(18) . . ?
F5_56 C3_56 F6_56 107.3(18) . . ?
F4_56 C3_56 F6_56 107.6(18) . . ?
F5_56 C3_56 C1_56 111.8(15) . . ?
F4_56 C3_56 C1_56 109.4(17) . . ?
F6_56 C3_56 C1_56 112.3(17) . . ?
F8_56 C4_56 F7_56 107.6(18) . . ?
F8_56 C4_56 F9_56 105.3(18) . . ?
F7_56 C4_56 F9_56 106.7(17) . . ?
F8_56 C4_56 C1_56 113.4(17) . . ?
F7_56 C4_56 C1_56 110.2(15) . . ?
F9_56 C4_56 C1_56 113.2(17) . . ?
C1_57 O1_57 Al5 154.7(15) . . ?
O1_57 C1_57 C3_57 110.2(12) . . ?
O1_57 C1_57 C4_57 109.9(13) . . ?
C3_57 C1_57 C4_57 112.3(12) . . ?
O1_57 C1_57 C2_57 110.1(13) . . ?
C3_57 C1_57 C2_57 106.9(12) . . ?
C4_57 C1_57 C2_57 107.4(11) . . ?
F2_57 C2_57 F3_57 110.3(18) . . ?
F2_57 C2_57 F1_57 108.4(16) . . ?
F3_57 C2_57 F1_57 106.8(17) . . ?
F2_57 C2_57 C1_57 110.4(14) . . ?
F3_57 C2_57 C1_57 111.2(16) . . ?
F1_57 C2_57 C1_57 109.7(14) . . ?
F6_57 C3_57 F4_57 109.2(17) . . ?
F6_57 C3_57 F5_57 108.5(16) . . ?
F4_57 C3_57 F5_57 104.9(17) . . ?
F6_57 C3_57 C1_57 110.9(15) . . ?
F4_57 C3_57 C1_57 113.4(15) . . ?
F5_57 C3_57 C1_57 109.8(15) . . ?
C3_57 F4_57 F4_60 136(2) . . ?
F8_57 C4_57 F7_57 107.3(16) . . ?
F8_57 C4_57 F9_57 109.4(16) . . ?
F7_57 C4_57 F9_57 107.0(16) . . ?
F8_57 C4_57 C1_57 112.4(14) . . ?
F7_57 C4_57 C1_57 113.5(14) . . ?
F9_57 C4_57 C1_57 107.1(13) . . ?
C1_58 O1_58 Al2 151.9(12) . . ?
O1_58 C1_58 C2_58 109.8(12) . . ?
O1_58 C1_58 C3_58 109.3(12) . . ?
C2_58 C1_58 C3_58 110.0(11) . . ?
O1_58 C1_58 C4_58 107.9(11) . . ?
C2_58 C1_58 C4_58 110.9(11) . . ?
C3_58 C1_58 C4_58 108.9(11) . . ?
F1_58 C2_58 F2_58 108.3(17) . . ?
F1_58 C2_58 F3_58 105.7(15) . . ?
F2_58 C2_58 F3_58 107.1(16) . . ?
F1_58 C2_58 C1_58 110.1(15) . . ?
F2_58 C2_58 C1_58 111.5(16) . . ?
F3_58 C2_58 C1_58 113.8(15) . . ?
F5_58 C3_58 F4_58 108.2(16) . . ?
F5_58 C3_58 F6_58 107.2(13) . . ?
F4_58 C3_58 F6_58 108.0(15) . . ?
F5_58 C3_58 C1_58 111.0(13) . . ?
F4_58 C3_58 C1_58 110.9(14) . . ?
F6_58 C3_58 C1_58 111.4(13) . . ?
F9_58 C4_58 F8_58 106.8(13) . . ?
F9_58 C4_58 F7_58 108.8(14) . . ?
F8_58 C4_58 F7_58 108.1(14) . . ?
F9_58 C4_58 C1_58 110.8(11) . . ?
F8_58 C4_58 C1_58 113.1(12) . . ?
F7_58 C4_58 C1_58 109.1(13) . . ?
C1_59 O1_59 Al6 154(3) . . ?
O1_59 C1_59 C3_59 112.0(17) . . ?
O1_59 C1_59 C2_59 109.7(17) . . ?
C3_59 C1_59 C2_59 109.5(13) . . ?
O1_59 C1_59 C4_59 110.2(16) . . ?
C3_59 C1_59 C4_59 108.4(13) . . ?
C2_59 C1_59 C4_59 107.1(13) . . ?
F2_59 C2_59 F1_59 106.4(19) . . ?
F2_59 C2_59 F3_59 106.7(19) . . ?
F1_59 C2_59 F3_59 114(2) . . ?
F2_59 C2_59 C1_59 111.6(16) . . ?
F1_59 C2_59 C1_59 109.9(17) . . ?
F3_59 C2_59 C1_59 108.6(17) . . ?
F4_59 C3_59 F6_59 105.7(18) . . ?
F4_59 C3_59 F5_59 111(2) . . ?
F6_59 C3_59 F5_59 106.7(18) . . ?
F4_59 C3_59 C1_59 111.0(17) . . ?
F6_59 C3_59 C1_59 111.2(16) . . ?
F5_59 C3_59 C1_59 111.4(16) . . ?
F7_59 C4_59 F9_59 107.1(18) . . ?
F7_59 C4_59 F8_59 108.4(19) . . ?
F9_59 C4_59 F8_59 108.6(18) . . ?
F7_59 C4_59 C1_59 111.4(17) . . ?
F9_59 C4_59 C1_59 112.4(16) . . ?
F8_59 C4_59 C1_59 108.8(16) . . ?
C1_60 O1_60 Al5 123(2) . . ?
O1_60 C1_60 C2_60 112.0(17) . . ?
O1_60 C1_60 C4_60 110.2(17) . . ?
C2_60 C1_60 C4_60 107.7(13) . . ?
O1_60 C1_60 C3_60 107.1(17) . . ?
C2_60 C1_60 C3_60 110.3(14) . . ?
C4_60 C1_60 C3_60 109.4(14) . . ?
F3_60 C2_60 F1_60 109.0(18) . . ?
F3_60 C2_60 F2_60 105.2(19) . . ?
F1_60 C2_60 F2_60 109.4(19) . . ?
F3_60 C2_60 C1_60 114.4(18) . . ?
F1_60 C2_60 C1_60 112.1(17) . . ?
F2_60 C2_60 C1_60 106.5(17) . . ?
F6_60 C3_60 F5_60 112(2) . . ?
F6_60 C3_60 F4_60 105.1(19) . . ?
F5_60 C3_60 F4_60 109.5(19) . . ?
F6_60 C3_60 C1_60 108.9(17) . . ?
F5_60 C3_60 C1_60 110.5(17) . . ?
F4_60 C3_60 C1_60 110.5(17) . . ?
C3_60 F4_60 F4_57 161(3) . . ?
F8_60 C4_60 F7_60 109(2) . . ?
F8_60 C4_60 F9_60 106.9(19) . . ?
F7_60 C4_60 F9_60 107.1(19) . . ?
F8_60 C4_60 C1_60 110.8(17) . . ?
F7_60 C4_60 C1_60 113.8(18) . . ?
F9_60 C4_60 C1_60 108.8(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C7 C12 F6 179.3(6) . . . . ?
Ga4 C7 C12 F6 1.4(9) . . . . ?
C8 C7 C12 C11 1.4(10) . . . . ?
Ga4 C7 C12 C11 -176.5(6) . . . . ?
C8 C9 C10 C11 0.4(12) . . . . ?
C9 C10 C11 C12 -1.3(12) . . . . ?
F6 C12 C11 C10 -177.5(7) . . . . ?
C7 C12 C11 C10 0.4(11) . . . . ?
C12 C7 C8 C9 -2.5(10) . . . . ?
Ga4 C7 C8 C9 175.5(6) . . . . ?
C12 C7 C8 F5 177.8(6) . . . . ?
Ga4 C7 C8 F5 -4.2(9) . . . . ?
C10 C9 C8 C7 1.7(12) . . . . ?
C10 C9 C8 F5 -178.6(7) . . . . ?
C12_44 F8 C14 C15 -69(3) . . . . ?
C12_44 F8 C14 C13 109(3) . . . . ?
C18 C13 C14 F8 -176.4(6) . . . . ?
Ga6 C13 C14 F8 2.4(10) . . . . ?
C18 C13 C14 C15 1.2(12) . . . . ?
Ga6 C13 C14 C15 -180.0(7) . . . . ?
F2 C2 C3 C4 -178.9(5) . . . . ?
C1 C2 C3 C4 1.3(9) . . . . ?
C5 C4 C3 C2 -0.7(9) . . . . ?
F3 C6 C5 C4 -179.9(5) . . . . ?
C1 C6 C5 C4 0.7(9) . . . . ?
C3 C4 C5 C6 -0.2(9) . . . . ?
F2 C2 C1 C6 179.4(4) . . . . ?
C3 C2 C1 C6 -0.9(8) . . . . ?
F2 C2 C1 Ga1 -2.8(6) . . . . ?
C3 C2 C1 Ga1 176.9(5) . . . . ?
F3 C6 C1 C2 -179.5(4) . . . . ?
C5 C6 C1 C2 -0.2(8) . . . . ?
F3 C6 C1 Ga1 2.8(7) . . . . ?
C5 C6 C1 Ga1 -177.9(4) . . . . ?
C14 C13 C18 F9 177.9(6) . . . . ?
Ga6 C13 C18 F9 -0.8(9) . . . . ?
C14 C13 C18 C17 -2.4(11) . . . . ?
Ga6 C13 C18 C17 178.8(7) . . . . ?
C1_28 P1 C19 C20 -175.4(5) . . . . ?
C1_50 P1 C19 C20 -60.4(5) . . . . ?
C1_54 P1 C19 C20 175.6(8) . . . . ?
Ga3 P1 C19 C20 51.0(5) . . . . ?
P1 C19 C20 P2 -57.9(6) . . . . ?
C1_53 P2 C20 C19 153.9(12) . . . . ?
C1_52 P2 C20 C19 -84.3(5) . . . . ?
C1_51 P2 C20 C19 161.1(5) . . . . ?
Ga3 P2 C20 C19 33.5(5) . . . . ?
F8 C14 C15 C16 178.7(8) . . . . ?
C13 C14 C15 C16 1.0(15) . . . . ?
C17 C16 C15 C14 -2.2(16) . . . . ?
F9 C18 C17 C16 -179.0(8) . . . . ?
C13 C18 C17 C16 1.4(13) . . . . ?
C15 C16 C17 C18 1.1(15) . . . . ?
O1_3 Al2 O1_1 C1_1 68.3(11) . . . . ?
O1_2 Al2 O1_1 C1_1 -166.3(10) . . . . ?
O1_14 Al2 O1_1 C1_1 -50.1(12) . . . . ?
Al2 O1_1 C1_1 C2_1 -8.9(13) . . . . ?
Al2 O1_1 C1_1 C3_1 112.8(10) . . . . ?
Al2 O1_1 C1_1 C4_1 -128.8(10) . . . . ?
O1_1 C1_1 C2_1 F1_1 -39.9(8) . . . . ?
C3_1 C1_1 C2_1 F1_1 -161.5(5) . . . . ?
C4_1 C1_1 C2_1 F1_1 79.0(7) . . . . ?
O1_1 C1_1 C2_1 F3_1 79.4(7) . . . . ?
C3_1 C1_1 C2_1 F3_1 -42.2(7) . . . . ?
C4_1 C1_1 C2_1 F3_1 -161.8(5) . . . . ?
O1_1 C1_1 C2_1 F2_1 -159.7(6) . . . . ?
C3_1 C1_1 C2_1 F2_1 78.7(7) . . . . ?
C4_1 C1_1 C2_1 F2_1 -40.9(7) . . . . ?
O1_1 C1_1 C3_1 F4_1 69.7(7) . . . . ?
C2_1 C1_1 C3_1 F4_1 -166.9(5) . . . . ?
C4_1 C1_1 C3_1 F4_1 -47.5(6) . . . . ?
O1_1 C1_1 C3_1 F5_1 -49.3(7) . . . . ?
C2_1 C1_1 C3_1 F5_1 74.0(6) . . . . ?
C4_1 C1_1 C3_1 F5_1 -166.5(5) . . . . ?
O1_1 C1_1 C3_1 F6_1 -169.3(5) . . . . ?
C2_1 C1_1 C3_1 F6_1 -46.0(7) . . . . ?
C4_1 C1_1 C3_1 F6_1 73.5(6) . . . . ?
O1_1 C1_1 C4_1 F8_1 -165.2(5) . . . . ?
C2_1 C1_1 C4_1 F8_1 72.9(7) . . . . ?
C3_1 C1_1 C4_1 F8_1 -46.8(7) . . . . ?
O1_1 C1_1 C4_1 F9_1 73.5(6) . . . . ?
C2_1 C1_1 C4_1 F9_1 -48.3(7) . . . . ?
C3_1 C1_1 C4_1 F9_1 -168.0(5) . . . . ?
O1_1 C1_1 C4_1 F7_1 -45.4(7) . . . . ?
C2_1 C1_1 C4_1 F7_1 -167.2(5) . . . . ?
C3_1 C1_1 C4_1 F7_1 73.1(6) . . . . ?
O1_3 Al2 O1_2 C1_2 145.8(9) . . . . ?
O1_1 Al2 O1_2 C1_2 17.4(10) . . . . ?
O1_14 Al2 O1_2 C1_2 -94.5(11) . . . . ?
Al2 O1_2 C1_2 C3_2 59.0(11) . . . . ?
Al2 O1_2 C1_2 C2_2 -62.2(11) . . . . ?
Al2 O1_2 C1_2 C4_2 177.6(8) . . . . ?
O1_2 C1_2 C2_2 F1_2 -39.6(8) . . . . ?
C3_2 C1_2 C2_2 F1_2 -162.0(6) . . . . ?
C4_2 C1_2 C2_2 F1_2 80.1(7) . . . . ?
O1_2 C1_2 C2_2 F2_2 -159.7(6) . . . . ?
C3_2 C1_2 C2_2 F2_2 77.9(7) . . . . ?
C4_2 C1_2 C2_2 F2_2 -40.0(8) . . . . ?
O1_2 C1_2 C2_2 F3_2 80.0(7) . . . . ?
C3_2 C1_2 C2_2 F3_2 -42.4(7) . . . . ?
C4_2 C1_2 C2_2 F3_2 -160.2(5) . . . . ?
O1_2 C1_2 C3_2 F5_2 -42.9(8) . . . . ?
C2_2 C1_2 C3_2 F5_2 80.3(7) . . . . ?
C4_2 C1_2 C3_2 F5_2 -161.4(6) . . . . ?
O1_2 C1_2 C3_2 F6_2 -164.9(6) . . . . ?
C2_2 C1_2 C3_2 F6_2 -41.8(7) . . . . ?
C4_2 C1_2 C3_2 F6_2 76.6(7) . . . . ?
O1_2 C1_2 C3_2 F4_2 74.3(7) . . . . ?
C2_2 C1_2 C3_2 F4_2 -162.6(5) . . . . ?
C4_2 C1_2 C3_2 F4_2 -44.2(7) . . . . ?
O1_2 C1_2 C4_2 F7_2 -41.1(7) . . . . ?
C3_2 C1_2 C4_2 F7_2 78.9(7) . . . . ?
C2_2 C1_2 C4_2 F7_2 -163.0(6) . . . . ?
O1_2 C1_2 C4_2 F8_2 -164.0(6) . . . . ?
C3_2 C1_2 C4_2 F8_2 -44.0(8) . . . . ?
C2_2 C1_2 C4_2 F8_2 74.0(7) . . . . ?
O1_2 C1_2 C4_2 F9_2 77.2(7) . . . . ?
C3_2 C1_2 C4_2 F9_2 -162.8(6) . . . . ?
C2_2 C1_2 C4_2 F9_2 -44.8(7) . . . . ?
O1_2 Al2 O1_3 C1_3 -37.9(12) . . . . ?
O1_1 Al2 O1_3 C1_3 85.7(12) . . . . ?
O1_14 Al2 O1_3 C1_3 -158.6(12) . . . . ?
Al2 O1_3 C1_3 C2_3 -61.0(14) . . . . ?
Al2 O1_3 C1_3 C4_3 179.4(10) . . . . ?
Al2 O1_3 C1_3 C3_3 60.7(14) . . . . ?
O1_3 C1_3 C2_3 F3_3 47.5(9) . . . . ?
C4_3 C1_3 C2_3 F3_3 166.0(7) . . . . ?
C3_3 C1_3 C2_3 F3_3 -75.1(9) . . . . ?
O1_3 C1_3 C2_3 F2_3 167.5(7) . . . . ?
C4_3 C1_3 C2_3 F2_3 -73.9(9) . . . . ?
C3_3 C1_3 C2_3 F2_3 45.0(9) . . . . ?
O1_3 C1_3 C2_3 F1_3 -71.9(9) . . . . ?
C4_3 C1_3 C2_3 F1_3 46.7(9) . . . . ?
C3_3 C1_3 C2_3 F1_3 165.6(8) . . . . ?
O1_3 C1_3 C3_3 F4_3 40.3(10) . . . . ?
C2_3 C1_3 C3_3 F4_3 163.2(8) . . . . ?
C4_3 C1_3 C3_3 F4_3 -77.6(10) . . . . ?
O1_3 C1_3 C3_3 F5_3 -79.7(9) . . . . ?
C2_3 C1_3 C3_3 F5_3 43.1(10) . . . . ?
C4_3 C1_3 C3_3 F5_3 162.4(8) . . . . ?
O1_3 C1_3 C3_3 F6_3 160.8(9) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.4(11) . . . . ?
C4_3 C1_3 C3_3 F6_3 42.9(11) . . . . ?
O1_3 C1_3 C4_3 F7_3 -71.5(9) . . . . ?
C2_3 C1_3 C4_3 F7_3 167.7(8) . . . . ?
C3_3 C1_3 C4_3 F7_3 48.5(10) . . . . ?
O1_3 C1_3 C4_3 F9_3 47.3(10) . . . . ?
C2_3 C1_3 C4_3 F9_3 -73.5(9) . . . . ?
C3_3 C1_3 C4_3 F9_3 167.3(8) . . . . ?
O1_3 C1_3 C4_3 F8_3 167.5(8) . . . . ?
C2_3 C1_3 C4_3 F8_3 46.6(10) . . . . ?
C3_3 C1_3 C4_3 F8_3 -72.6(10) . . . . ?
O1_24 Al5 O1_4 C1_4 -137.1(11) . . . . ?
O1_6 Al5 O1_4 C1_4 105.7(12) . . . . ?
O1_5 Al5 O1_4 C1_4 -11.2(12) . . . . ?
Al5 O1_4 C1_4 C4_4 -72.2(13) . . . . ?
Al5 O1_4 C1_4 C3_4 166.2(9) . . . . ?
Al5 O1_4 C1_4 C2_4 47.5(13) . . . . ?
O1_4 C1_4 C2_4 F2_4 157.1(7) . . . . ?
C4_4 C1_4 C2_4 F2_4 -81.4(8) . . . . ?
C3_4 C1_4 C2_4 F2_4 38.3(9) . . . . ?
O1_4 C1_4 C2_4 F3_4 38.0(9) . . . . ?
C4_4 C1_4 C2_4 F3_4 159.5(7) . . . . ?
C3_4 C1_4 C2_4 F3_4 -80.8(8) . . . . ?
O1_4 C1_4 C2_4 F1_4 -81.5(8) . . . . ?
C4_4 C1_4 C2_4 F1_4 39.9(8) . . . . ?
C3_4 C1_4 C2_4 F1_4 159.7(6) . . . . ?
O1_4 C1_4 C3_4 F6_4 164.2(7) . . . . ?
C4_4 C1_4 C3_4 F6_4 41.8(9) . . . . ?
C2_4 C1_4 C3_4 F6_4 -76.9(9) . . . . ?
O1_4 C1_4 C3_4 F4_4 44.9(8) . . . . ?
C4_4 C1_4 C3_4 F4_4 -77.5(8) . . . . ?
C2_4 C1_4 C3_4 F4_4 163.8(6) . . . . ?
O1_4 C1_4 C3_4 F5_4 -75.4(8) . . . . ?
C4_4 C1_4 C3_4 F5_4 162.3(7) . . . . ?
C2_4 C1_4 C3_4 F5_4 43.6(9) . . . . ?
O1_4 C1_4 C4_4 F8_4 162.3(7) . . . . ?
C3_4 C1_4 C4_4 F8_4 -76.8(8) . . . . ?
C2_4 C1_4 C4_4 F8_4 42.2(9) . . . . ?
O1_4 C1_4 C4_4 F7_4 -75.2(8) . . . . ?
C3_4 C1_4 C4_4 F7_4 45.7(8) . . . . ?
C2_4 C1_4 C4_4 F7_4 164.7(6) . . . . ?
O1_4 C1_4 C4_4 F9_4 43.6(9) . . . . ?
C3_4 C1_4 C4_4 F9_4 164.6(7) . . . . ?
C2_4 C1_4 C4_4 F9_4 -76.5(8) . . . . ?
O1_24 Al5 O1_5 C1_5 -56.9(11) . . . . ?
O1_6 Al5 O1_5 C1_5 60.2(11) . . . . ?
O1_4 Al5 O1_5 C1_5 176.5(10) . . . . ?
Al5 O1_5 C1_5 C2_5 146.7(8) . . . . ?
Al5 O1_5 C1_5 C3_5 -94.2(10) . . . . ?
Al5 O1_5 C1_5 C4_5 26.4(12) . . . . ?
O1_5 C1_5 C2_5 F1_5 -47.0(8) . . . . ?
C3_5 C1_5 C2_5 F1_5 -165.8(6) . . . . ?
C4_5 C1_5 C2_5 F1_5 75.7(7) . . . . ?
O1_5 C1_5 C2_5 F2_5 -167.7(6) . . . . ?
C3_5 C1_5 C2_5 F2_5 73.5(7) . . . . ?
C4_5 C1_5 C2_5 F2_5 -45.0(7) . . . . ?
O1_5 C1_5 C2_5 F3_5 71.6(7) . . . . ?
C3_5 C1_5 C2_5 F3_5 -47.2(7) . . . . ?
C4_5 C1_5 C2_5 F3_5 -165.7(6) . . . . ?
O1_5 C1_5 C3_5 F6_5 -163.3(6) . . . . ?
C2_5 C1_5 C3_5 F6_5 -43.9(8) . . . . ?
C4_5 C1_5 C3_5 F6_5 74.1(7) . . . . ?
O1_5 C1_5 C3_5 F4_5 72.9(7) . . . . ?
C2_5 C1_5 C3_5 F4_5 -167.7(6) . . . . ?
C4_5 C1_5 C3_5 F4_5 -49.7(7) . . . . ?
O1_5 C1_5 C3_5 F5_5 -44.4(7) . . . . ?
C2_5 C1_5 C3_5 F5_5 75.0(7) . . . . ?
C4_5 C1_5 C3_5 F5_5 -167.1(6) . . . . ?
O1_5 C1_5 C4_5 F9_5 76.3(7) . . . . ?
C2_5 C1_5 C4_5 F9_5 -44.7(7) . . . . ?
C3_5 C1_5 C4_5 F9_5 -163.3(5) . . . . ?
O1_5 C1_5 C4_5 F7_5 -42.9(8) . . . . ?
C2_5 C1_5 C4_5 F7_5 -163.9(6) . . . . ?
C3_5 C1_5 C4_5 F7_5 77.5(7) . . . . ?
O1_5 C1_5 C4_5 F8_5 -161.6(6) . . . . ?
C2_5 C1_5 C4_5 F8_5 77.4(7) . . . . ?
C3_5 C1_5 C4_5 F8_5 -41.2(7) . . . . ?
O1_24 Al5 O1_6 C1_6 -51.8(18) . . . . ?
O1_4 Al5 O1_6 C1_6 69.9(18) . . . . ?
O1_5 Al5 O1_6 C1_6 -172.7(17) . . . . ?
Al5 O1_6 C1_6 C2_6 84.8(18) . . . . ?
Al5 O1_6 C1_6 C4_6 -39(2) . . . . ?
Al5 O1_6 C1_6 C3_6 -156.2(15) . . . . ?
O1_6 C1_6 C2_6 F3_6 38.4(10) . . . . ?
C4_6 C1_6 C2_6 F3_6 161.3(7) . . . . ?
C3_6 C1_6 C2_6 F3_6 -79.3(9) . . . . ?
O1_6 C1_6 C2_6 F1_6 -80.9(9) . . . . ?
C4_6 C1_6 C2_6 F1_6 42.0(10) . . . . ?
C3_6 C1_6 C2_6 F1_6 161.4(8) . . . . ?
O1_6 C1_6 C2_6 F2_6 158.9(8) . . . . ?
C4_6 C1_6 C2_6 F2_6 -78.2(9) . . . . ?
C3_6 C1_6 C2_6 F2_6 41.2(9) . . . . ?
O1_6 C1_6 C3_6 F4_6 43.5(10) . . . . ?
C2_6 C1_6 C3_6 F4_6 165.1(8) . . . . ?
C4_6 C1_6 C3_6 F4_6 -74.6(9) . . . . ?
O1_6 C1_6 C3_6 F6_6 162.5(8) . . . . ?
C2_6 C1_6 C3_6 F6_6 -75.9(9) . . . . ?
C4_6 C1_6 C3_6 F6_6 44.4(9) . . . . ?
O1_6 C1_6 C3_6 F5_6 -77.4(9) . . . . ?
C2_6 C1_6 C3_6 F5_6 44.2(9) . . . . ?
C4_6 C1_6 C3_6 F5_6 164.5(7) . . . . ?
O1_6 C1_6 C4_6 F8_6 166.3(8) . . . . ?
C2_6 C1_6 C4_6 F8_6 41.6(10) . . . . ?
C3_6 C1_6 C4_6 F8_6 -77.7(9) . . . . ?
O1_6 C1_6 C4_6 F7_6 -71.2(9) . . . . ?
C2_6 C1_6 C4_6 F7_6 164.1(7) . . . . ?
C3_6 C1_6 C4_6 F7_6 44.9(9) . . . . ?
O1_6 C1_6 C4_6 F9_6 45.7(10) . . . . ?
C2_6 C1_6 C4_6 F9_6 -79.0(9) . . . . ?
C3_6 C1_6 C4_6 F9_6 161.7(7) . . . . ?
O1_9 Al4 O1_7 C1_7 -73.5(11) . . . . ?
O1_19 Al4 O1_7 C1_7 62.7(11) . . . . ?
O1_8 Al4 O1_7 C1_7 173.4(11) . . . . ?
Al4 O1_7 C1_7 C4_7 92.0(10) . . . . ?
Al4 O1_7 C1_7 C2_7 -148.1(9) . . . . ?
Al4 O1_7 C1_7 C3_7 -28.7(12) . . . . ?
O1_7 C1_7 C2_7 F3_7 45.2(7) . . . . ?
C4_7 C1_7 C2_7 F3_7 165.9(6) . . . . ?
C3_7 C1_7 C2_7 F3_7 -75.9(7) . . . . ?
O1_7 C1_7 C2_7 F2_7 165.8(6) . . . . ?
C4_7 C1_7 C2_7 F2_7 -73.5(7) . . . . ?
C3_7 C1_7 C2_7 F2_7 44.6(7) . . . . ?
O1_7 C1_7 C2_7 F1_7 -73.4(7) . . . . ?
C4_7 C1_7 C2_7 F1_7 47.3(7) . . . . ?
C3_7 C1_7 C2_7 F1_7 165.5(5) . . . . ?
O1_7 C1_7 C3_7 F5_7 -72.7(7) . . . . ?
C4_7 C1_7 C3_7 F5_7 165.6(6) . . . . ?
C2_7 C1_7 C3_7 F5_7 47.1(7) . . . . ?
O1_7 C1_7 C3_7 F4_7 46.4(7) . . . . ?
C4_7 C1_7 C3_7 F4_7 -75.3(7) . . . . ?
C2_7 C1_7 C3_7 F4_7 166.2(5) . . . . ?
O1_7 C1_7 C3_7 F6_7 164.7(5) . . . . ?
C4_7 C1_7 C3_7 F6_7 43.0(7) . . . . ?
C2_7 C1_7 C3_7 F6_7 -75.5(6) . . . . ?
O1_7 C1_7 C4_7 F8_7 162.4(6) . . . . ?
C2_7 C1_7 C4_7 F8_7 42.5(8) . . . . ?
C3_7 C1_7 C4_7 F8_7 -75.5(7) . . . . ?
O1_7 C1_7 C4_7 F9_7 42.0(9) . . . . ?
C2_7 C1_7 C4_7 F9_7 -77.9(8) . . . . ?
C3_7 C1_7 C4_7 F9_7 164.1(6) . . . . ?
O1_7 C1_7 C4_7 F7_7 -76.6(8) . . . . ?
C2_7 C1_7 C4_7 F7_7 163.6(6) . . . . ?
C3_7 C1_7 C4_7 F7_7 45.6(8) . . . . ?
O1_7 Al4 O1_8 C1_8 31(2) . . . . ?
O1_9 Al4 O1_8 C1_8 -81(2) . . . . ?
O1_19 Al4 O1_8 C1_8 137(2) . . . . ?
Al4 O1_8 C1_8 C3_8 170.1(19) . . . . ?
Al4 O1_8 C1_8 C2_8 50(3) . . . . ?
Al4 O1_8 C1_8 C4_8 -69(2) . . . . ?
O1_8 C1_8 C2_8 F2_8 -161.6(12) . . . . ?
C3_8 C1_8 C2_8 F2_8 78.2(12) . . . . ?
C4_8 C1_8 C2_8 F2_8 -39.8(13) . . . . ?
O1_8 C1_8 C2_8 F3_8 76.9(13) . . . . ?
C3_8 C1_8 C2_8 F3_8 -43.2(12) . . . . ?
C4_8 C1_8 C2_8 F3_8 -161.2(10) . . . . ?
O1_8 C1_8 C2_8 F1_8 -42.9(14) . . . . ?
C3_8 C1_8 C2_8 F1_8 -163.1(10) . . . . ?
C4_8 C1_8 C2_8 F1_8 78.9(11) . . . . ?
O1_8 C1_8 C3_8 F4_8 77.1(13) . . . . ?
C2_8 C1_8 C3_8 F4_8 -161.5(11) . . . . ?
C4_8 C1_8 C3_8 F4_8 -44.5(13) . . . . ?
O1_8 C1_8 C3_8 F5_8 -44.9(14) . . . . ?
C2_8 C1_8 C3_8 F5_8 76.5(13) . . . . ?
C4_8 C1_8 C3_8 F5_8 -166.5(11) . . . . ?
O1_8 C1_8 C3_8 F6_8 -164.7(12) . . . . ?
C2_8 C1_8 C3_8 F6_8 -43.3(13) . . . . ?
C4_8 C1_8 C3_8 F6_8 73.7(13) . . . . ?
O1_8 C1_8 C4_8 F7_8 -42.1(14) . . . . ?
C3_8 C1_8 C4_8 F7_8 78.4(12) . . . . ?
C2_8 C1_8 C4_8 F7_8 -164.0(10) . . . . ?
O1_8 C1_8 C4_8 F8_8 -163.5(11) . . . . ?
C3_8 C1_8 C4_8 F8_8 -43.0(12) . . . . ?
C2_8 C1_8 C4_8 F8_8 74.6(12) . . . . ?
O1_8 C1_8 C4_8 F9_8 73.6(15) . . . . ?
C3_8 C1_8 C4_8 F9_8 -165.9(13) . . . . ?
C2_8 C1_8 C4_8 F9_8 -48.3(15) . . . . ?
O1_7 Al4 O1_9 C1_9 151.8(18) . . . . ?
O1_19 Al4 O1_9 C1_9 35(2) . . . . ?
O1_8 Al4 O1_9 C1_9 -95(2) . . . . ?
Al4 O1_9 C1_9 C2_9 -83(2) . . . . ?
Al4 O1_9 C1_9 C4_9 156.5(16) . . . . ?
Al4 O1_9 C1_9 C3_9 36(2) . . . . ?
O1_9 C1_9 C2_9 F3_9 42.1(14) . . . . ?
C4_9 C1_9 C2_9 F3_9 161.7(11) . . . . ?
C3_9 C1_9 C2_9 F3_9 -79.6(12) . . . . ?
O1_9 C1_9 C2_9 F2_9 162.8(11) . . . . ?
C4_9 C1_9 C2_9 F2_9 -77.6(13) . . . . ?
C3_9 C1_9 C2_9 F2_9 41.1(13) . . . . ?
O1_9 C1_9 C2_9 F1_9 -77.6(13) . . . . ?
C4_9 C1_9 C2_9 F1_9 42.0(14) . . . . ?
C3_9 C1_9 C2_9 F1_9 160.7(11) . . . . ?
O1_9 C1_9 C3_9 F6_9 152.6(12) . . . . ?
C2_9 C1_9 C3_9 F6_9 -86.1(13) . . . . ?
C4_9 C1_9 C3_9 F6_9 33.4(14) . . . . ?
O1_9 C1_9 C3_9 F4_9 36.6(14) . . . . ?
C2_9 C1_9 C3_9 F4_9 157.9(12) . . . . ?
C4_9 C1_9 C3_9 F4_9 -82.6(13) . . . . ?
O1_9 C1_9 C3_9 F5_9 -81.8(13) . . . . ?
C2_9 C1_9 C3_9 F5_9 39.5(13) . . . . ?
C4_9 C1_9 C3_9 F5_9 158.9(11) . . . . ?
O1_9 C1_9 C4_9 F8_9 159.1(12) . . . . ?
C2_9 C1_9 C4_9 F8_9 37.7(14) . . . . ?
C3_9 C1_9 C4_9 F8_9 -79.4(13) . . . . ?
O1_9 C1_9 C4_9 F7_9 -78.6(13) . . . . ?
C2_9 C1_9 C4_9 F7_9 160.0(11) . . . . ?
C3_9 C1_9 C4_9 F7_9 42.8(13) . . . . ?
O1_9 C1_9 C4_9 F9_9 43.0(13) . . . . ?
C2_9 C1_9 C4_9 F9_9 -78.3(12) . . . . ?
C3_9 C1_9 C4_9 F9_9 164.5(11) . . . . ?
O1_25 Al7 O1_10 C1_10 -49(4) . . . . ?
O1_15 Al7 O1_10 C1_10 -178(3) . . . . ?
F27 Al7 O1_10 C1_10 65(4) . . . . ?
Al7 O1_10 C1_10 C2_10 141(3) . . . . ?
Al7 O1_10 C1_10 C3_10 -99(3) . . . . ?
Al7 O1_10 C1_10 C4_10 21(4) . . . . ?
O1_10 C1_10 C2_10 F2_10 -166.8(14) . . . . ?
C3_10 C1_10 C2_10 F2_10 75.1(13) . . . . ?
C4_10 C1_10 C2_10 F2_10 -45.2(13) . . . . ?
O1_10 C1_10 C2_10 F3_10 74.3(13) . . . . ?
C3_10 C1_10 C2_10 F3_10 -43.8(11) . . . . ?
C4_10 C1_10 C2_10 F3_10 -164.1(9) . . . . ?
O1_10 C1_10 C2_10 F1_10 -44.9(15) . . . . ?
C3_10 C1_10 C2_10 F1_10 -163.0(11) . . . . ?
C4_10 C1_10 C2_10 F1_10 76.7(12) . . . . ?
O1_10 C1_10 C3_10 F4_10 75.3(13) . . . . ?
C2_10 C1_10 C3_10 F4_10 -166.0(9) . . . . ?
C4_10 C1_10 C3_10 F4_10 -46.0(11) . . . . ?
O1_10 C1_10 C3_10 F6_10 -165.4(14) . . . . ?
C2_10 C1_10 C3_10 F6_10 -46.7(13) . . . . ?
C4_10 C1_10 C3_10 F6_10 73.3(13) . . . . ?
O1_10 C1_10 C3_10 F5_10 -45.7(15) . . . . ?
C2_10 C1_10 C3_10 F5_10 72.9(12) . . . . ?
C4_10 C1_10 C3_10 F5_10 -167.0(10) . . . . ?
O1_10 C1_10 C4_10 F9_10 80.5(13) . . . . ?
C2_10 C1_10 C4_10 F9_10 -39.7(11) . . . . ?
C3_10 C1_10 C4_10 F9_10 -160.1(9) . . . . ?
O1_10 C1_10 C4_10 F8_10 -160.8(14) . . . . ?
C2_10 C1_10 C4_10 F8_10 79.0(12) . . . . ?
C3_10 C1_10 C4_10 F8_10 -41.4(13) . . . . ?
O1_10 C1_10 C4_10 F7_10 -41.1(15) . . . . ?
C2_10 C1_10 C4_10 F7_10 -161.4(11) . . . . ?
C3_10 C1_10 C4_10 F7_10 78.2(12) . . . . ?
O1_22 Al3 O1_11 C1_11 73.6(15) . . . . ?
O1_16 Al3 O1_11 C1_11 -47.0(15) . . . . ?
O1_23 Al3 O1_11 C1_11 -168.6(14) . . . . ?
Al3 O1_11 C1_11 C2_11 -166.1(12) . . . . ?
Al3 O1_11 C1_11 C4_11 73.0(16) . . . . ?
Al3 O1_11 C1_11 C3_11 -46.7(17) . . . . ?
O1_11 C1_11 C2_11 F3_11 42.6(11) . . . . ?
C4_11 C1_11 C2_11 F3_11 162.6(9) . . . . ?
C3_11 C1_11 C2_11 F3_11 -80.1(10) . . . . ?
O1_11 C1_11 C2_11 F2_11 165.4(9) . . . . ?
C4_11 C1_11 C2_11 F2_11 -74.5(11) . . . . ?
C3_11 C1_11 C2_11 F2_11 42.8(11) . . . . ?
O1_11 C1_11 C2_11 F1_11 -74.1(10) . . . . ?
C4_11 C1_11 C2_11 F1_11 46.0(10) . . . . ?
C3_11 C1_11 C2_11 F1_11 163.3(8) . . . . ?
O1_11 C1_11 C3_11 F4_11 39.8(11) . . . . ?
C2_11 C1_11 C3_11 F4_11 161.0(9) . . . . ?
C4_11 C1_11 C3_11 F4_11 -80.3(10) . . . . ?
O1_11 C1_11 C3_11 F6_11 157.7(8) . . . . ?
C2_11 C1_11 C3_11 F6_11 -81.2(10) . . . . ?
C4_11 C1_11 C3_11 F6_11 37.5(10) . . . . ?
O1_11 C1_11 C3_11 F5_11 -80.9(10) . . . . ?
C2_11 C1_11 C3_11 F5_11 40.3(10) . . . . ?
C4_11 C1_11 C3_11 F5_11 158.9(8) . . . . ?
O1_11 C1_11 C4_11 F9_11 41.2(12) . . . . ?
C2_11 C1_11 C4_11 F9_11 -79.7(12) . . . . ?
C3_11 C1_11 C4_11 F9_11 163.6(10) . . . . ?
O1_11 C1_11 C4_11 F8_11 160.9(9) . . . . ?
C2_11 C1_11 C4_11 F8_11 40.0(11) . . . . ?
C3_11 C1_11 C4_11 F8_11 -76.7(11) . . . . ?
O1_11 C1_11 C4_11 F7_11 -81.4(9) . . . . ?
C2_11 C1_11 C4_11 F7_11 157.7(8) . . . . ?
C3_11 C1_11 C4_11 F7_11 41.0(10) . . . . ?
O1_26 Al1 O1_12 C1_12 95(2) . . . . ?
O1_18 Al1 O1_12 C1_12 -17(2) . . . . ?
O1_13 Al1 O1_12 C1_12 -133(2) . . . . ?
Al1 O1_12 C1_12 C4_12 164.5(17) . . . . ?
Al1 O1_12 C1_12 C2_12 -73(2) . . . . ?
Al1 O1_12 C1_12 C3_12 45(2) . . . . ?
O1_12 C1_12 C2_12 F2_12 166.0(11) . . . . ?
C4_12 C1_12 C2_12 F2_12 -73.0(12) . . . . ?
C3_12 C1_12 C2_12 F2_12 44.0(12) . . . . ?
O1_12 C1_12 C2_12 F3_12 50.9(13) . . . . ?
C4_12 C1_12 C2_12 F3_12 171.9(11) . . . . ?
C3_12 C1_12 C2_12 F3_12 -71.2(12) . . . . ?
O1_12 C1_12 C2_12 F1_12 -72.5(12) . . . . ?
C4_12 C1_12 C2_12 F1_12 48.6(12) . . . . ?
C3_12 C1_12 C2_12 F1_12 165.5(10) . . . . ?
O1_12 C1_12 C3_12 F5_12 -80.3(12) . . . . ?
C4_12 C1_12 C3_12 F5_12 159.7(9) . . . . ?
C2_12 C1_12 C3_12 F5_12 40.4(12) . . . . ?
O1_12 C1_12 C3_12 F4_12 40.2(12) . . . . ?
C4_12 C1_12 C3_12 F4_12 -79.8(10) . . . . ?
C2_12 C1_12 C3_12 F4_12 160.9(9) . . . . ?
O1_12 C1_12 C3_12 F6_12 159.3(10) . . . . ?
C4_12 C1_12 C3_12 F6_12 39.4(11) . . . . ?
C2_12 C1_12 C3_12 F6_12 -80.0(10) . . . . ?
O1_12 C1_12 C4_12 F7_12 -77.6(11) . . . . ?
C2_12 C1_12 C4_12 F7_12 160.3(9) . . . . ?
C3_12 C1_12 C4_12 F7_12 44.7(11) . . . . ?
O1_12 C1_12 C4_12 F8_12 163.7(10) . . . . ?
C2_12 C1_12 C4_12 F8_12 41.7(12) . . . . ?
C3_12 C1_12 C4_12 F8_12 -74.0(11) . . . . ?
O1_12 C1_12 C4_12 F9_12 42.5(11) . . . . ?
C2_12 C1_12 C4_12 F9_12 -79.5(10) . . . . ?
C3_12 C1_12 C4_12 F9_12 164.8(9) . . . . ?
O1_26 Al1 O1_13 C1_13 61(4) . . . . ?
O1_12 Al1 O1_13 C1_13 -57(4) . . . . ?
O1_18 Al1 O1_13 C1_13 -176(3) . . . . ?
Al1 O1_13 C1_13 C4_13 23(4) . . . . ?
Al1 O1_13 C1_13 C2_13 143(3) . . . . ?
Al1 O1_13 C1_13 C3_13 -99(3) . . . . ?
O1_13 C1_13 C2_13 F3_13 66.8(18) . . . . ?
C4_13 C1_13 C2_13 F3_13 -171.7(15) . . . . ?
C3_13 C1_13 C2_13 F3_13 -52.9(16) . . . . ?
O1_13 C1_13 C2_13 F2_13 -169.4(16) . . . . ?
C4_13 C1_13 C2_13 F2_13 -48.0(16) . . . . ?
C3_13 C1_13 C2_13 F2_13 70.9(15) . . . . ?
O1_13 C1_13 C2_13 F1_13 -45.7(17) . . . . ?
C4_13 C1_13 C2_13 F1_13 75.7(15) . . . . ?
C3_13 C1_13 C2_13 F1_13 -165.5(13) . . . . ?
O1_13 C1_13 C3_13 F6_13 -159.2(15) . . . . ?
C4_13 C1_13 C3_13 F6_13 77.5(14) . . . . ?
C2_13 C1_13 C3_13 F6_13 -41.0(15) . . . . ?
O1_13 C1_13 C3_13 F5_13 -36.5(18) . . . . ?
C4_13 C1_13 C3_13 F5_13 -159.8(14) . . . . ?
C2_13 C1_13 C3_13 F5_13 81.7(15) . . . . ?
O1_13 C1_13 C3_13 F4_13 79.1(15) . . . . ?
C4_13 C1_13 C3_13 F4_13 -44.3(14) . . . . ?
C2_13 C1_13 C3_13 F4_13 -162.8(12) . . . . ?
O1_13 C1_13 C4_13 F8_13 -168.5(16) . . . . ?
C2_13 C1_13 C4_13 F8_13 72.5(16) . . . . ?
C3_13 C1_13 C4_13 F8_13 -46.0(16) . . . . ?
O1_13 C1_13 C4_13 F7_13 -47.6(16) . . . . ?
C2_13 C1_13 C4_13 F7_13 -166.6(12) . . . . ?
C3_13 C1_13 C4_13 F7_13 74.9(13) . . . . ?
O1_13 C1_13 C4_13 F9_13 64.2(18) . . . . ?
C2_13 C1_13 C4_13 F9_13 -54.8(16) . . . . ?
C3_13 C1_13 C4_13 F9_13 -173.3(14) . . . . ?
O1_3 Al2 O1_14 C1_14 44(2) . . . . ?
O1_2 Al2 O1_14 C1_14 -78(2) . . . . ?
O1_1 Al2 O1_14 C1_14 167(2) . . . . ?
Al2 O1_14 C1_14 C4_14 167.2(18) . . . . ?
Al2 O1_14 C1_14 C3_14 46(2) . . . . ?
Al2 O1_14 C1_14 C2_14 -75(2) . . . . ?
O1_14 C1_14 C2_14 F2_14 -159.0(11) . . . . ?
C4_14 C1_14 C2_14 F2_14 -43.2(11) . . . . ?
C3_14 C1_14 C2_14 F2_14 77.0(10) . . . . ?
O1_14 C1_14 C2_14 F3_14 80.4(11) . . . . ?
C4_14 C1_14 C2_14 F3_14 -163.8(8) . . . . ?
C3_14 C1_14 C2_14 F3_14 -43.7(10) . . . . ?
O1_14 C1_14 C2_14 F1_14 -37.9(13) . . . . ?
C4_14 C1_14 C2_14 F1_14 78.0(10) . . . . ?
C3_14 C1_14 C2_14 F1_14 -161.9(9) . . . . ?
O1_14 C1_14 C3_14 F5_14 -43.3(13) . . . . ?
C4_14 C1_14 C3_14 F5_14 -162.0(10) . . . . ?
C2_14 C1_14 C3_14 F5_14 79.3(11) . . . . ?
O1_14 C1_14 C3_14 F6_14 -168.0(11) . . . . ?
C4_14 C1_14 C3_14 F6_14 73.3(12) . . . . ?
C2_14 C1_14 C3_14 F6_14 -45.4(12) . . . . ?
O1_14 C1_14 C3_14 F4_14 75.0(12) . . . . ?
C4_14 C1_14 C3_14 F4_14 -43.7(11) . . . . ?
C2_14 C1_14 C3_14 F4_14 -162.4(9) . . . . ?
O1_14 C1_14 C4_14 F9_14 71.6(12) . . . . ?
C3_14 C1_14 C4_14 F9_14 -165.4(9) . . . . ?
C2_14 C1_14 C4_14 F9_14 -47.4(11) . . . . ?
O1_14 C1_14 C4_14 F7_14 -46.6(12) . . . . ?
C3_14 C1_14 C4_14 F7_14 76.5(11) . . . . ?
C2_14 C1_14 C4_14 F7_14 -165.5(9) . . . . ?
O1_14 C1_14 C4_14 F8_14 -167.1(12) . . . . ?
C3_14 C1_14 C4_14 F8_14 -44.1(12) . . . . ?
C2_14 C1_14 C4_14 F8_14 73.9(12) . . . . ?
O1_10 Al7 O1_15 C1_15 -11.2(18) . . . . ?
O1_25 Al7 O1_15 C1_15 -143.8(14) . . . . ?
F27 Al7 O1_15 C1_15 106.7(15) . . . . ?
Al7 O1_15 C1_15 C4_15 -153.6(13) . . . . ?
Al7 O1_15 C1_15 C3_15 88.0(15) . . . . ?
Al7 O1_15 C1_15 C2_15 -33.8(18) . . . . ?
O1_15 C1_15 C2_15 F3_15 81.3(10) . . . . ?
C4_15 C1_15 C2_15 F3_15 -160.2(7) . . . . ?
C3_15 C1_15 C2_15 F3_15 -39.9(10) . . . . ?
O1_15 C1_15 C2_15 F2_15 -156.4(11) . . . . ?
C4_15 C1_15 C2_15 F2_15 -38.0(12) . . . . ?
C3_15 C1_15 C2_15 F2_15 82.4(12) . . . . ?
O1_15 C1_15 C2_15 F1_15 -36.7(11) . . . . ?
C4_15 C1_15 C2_15 F1_15 81.8(9) . . . . ?
C3_15 C1_15 C2_15 F1_15 -157.9(8) . . . . ?
O1_15 C1_15 C3_15 F4_15 74.0(9) . . . . ?
C4_15 C1_15 C3_15 F4_15 -42.8(10) . . . . ?
C2_15 C1_15 C3_15 F4_15 -163.0(7) . . . . ?
O1_15 C1_15 C3_15 F6_15 -165.6(10) . . . . ?
C4_15 C1_15 C3_15 F6_15 77.6(11) . . . . ?
C2_15 C1_15 C3_15 F6_15 -42.6(11) . . . . ?
O1_15 C1_15 C3_15 F5_15 -46.3(11) . . . . ?
C4_15 C1_15 C3_15 F5_15 -163.2(9) . . . . ?
C2_15 C1_15 C3_15 F5_15 76.7(10) . . . . ?
O1_15 C1_15 C4_15 F9_15 76.5(10) . . . . ?
C3_15 C1_15 C4_15 F9_15 -165.6(8) . . . . ?
C2_15 C1_15 C4_15 F9_15 -45.0(10) . . . . ?
O1_15 C1_15 C4_15 F8_15 -162.4(11) . . . . ?
C3_15 C1_15 C4_15 F8_15 -44.4(12) . . . . ?
C2_15 C1_15 C4_15 F8_15 76.2(12) . . . . ?
O1_15 C1_15 C4_15 F7_15 -44.1(10) . . . . ?
C3_15 C1_15 C4_15 F7_15 73.9(9) . . . . ?
C2_15 C1_15 C4_15 F7_15 -165.5(8) . . . . ?
O1_22 Al3 O1_16 C1_16 29.9(16) . . . . ?
O1_11 Al3 O1_16 C1_16 153.1(14) . . . . ?
O1_23 Al3 O1_16 C1_16 -86.5(15) . . . . ?
Al3 O1_16 C1_16 C3_16 6.5(19) . . . . ?
Al3 O1_16 C1_16 C4_16 128.0(14) . . . . ?
Al3 O1_16 C1_16 C2_16 -114.9(14) . . . . ?
O1_16 C1_16 C2_16 F2_16 161.3(12) . . . . ?
C3_16 C1_16 C2_16 F2_16 37.0(14) . . . . ?
C4_16 C1_16 C2_16 F2_16 -76.6(13) . . . . ?
O1_16 C1_16 C2_16 F1_16 -75.2(11) . . . . ?
C3_16 C1_16 C2_16 F1_16 160.4(9) . . . . ?
C4_16 C1_16 C2_16 F1_16 46.9(11) . . . . ?
O1_16 C1_16 C2_16 F3_16 50.5(12) . . . . ?
C3_16 C1_16 C2_16 F3_16 -73.9(11) . . . . ?
C4_16 C1_16 C2_16 F3_16 172.6(10) . . . . ?
O1_16 C1_16 C3_16 F6_16 160.2(12) . . . . ?
C4_16 C1_16 C3_16 F6_16 34.9(14) . . . . ?
C2_16 C1_16 C3_16 F6_16 -77.9(14) . . . . ?
O1_16 C1_16 C3_16 F5_16 -72.3(11) . . . . ?
C4_16 C1_16 C3_16 F5_16 162.4(9) . . . . ?
C2_16 C1_16 C3_16 F5_16 49.6(11) . . . . ?
O1_16 C1_16 C3_16 F4_16 44.1(11) . . . . ?
C4_16 C1_16 C3_16 F4_16 -81.3(9) . . . . ?
C2_16 C1_16 C3_16 F4_16 165.9(9) . . . . ?
O1_16 C1_16 C4_16 F9_16 46.3(12) . . . . ?
C3_16 C1_16 C4_16 F9_16 171.7(9) . . . . ?
C2_16 C1_16 C4_16 F9_16 -73.2(11) . . . . ?
O1_16 C1_16 C4_16 F8_16 158.4(9) . . . . ?
C3_16 C1_16 C4_16 F8_16 -76.2(11) . . . . ?
C2_16 C1_16 C4_16 F8_16 38.9(11) . . . . ?
O1_16 C1_16 C4_16 F7_16 -72.9(11) . . . . ?
C3_16 C1_16 C4_16 F7_16 52.5(11) . . . . ?
C2_16 C1_16 C4_16 F7_16 167.6(9) . . . . ?
O1_20 Al6 O1_17 C1_17 -61.3(19) . . . . ?
O1_21 Al6 O1_17 C1_17 73.1(18) . . . . ?
F28 Al6 O1_17 C1_17 -174.0(15) . . . . ?
Al6 O1_17 C1_17 C3_17 85.1(16) . . . . ?
Al6 O1_17 C1_17 C2_17 -37.1(19) . . . . ?
Al6 O1_17 C1_17 C4_17 -156.2(13) . . . . ?
O1_17 C1_17 C2_17 F2_17 159.2(13) . . . . ?
C3_17 C1_17 C2_17 F2_17 36.9(16) . . . . ?
C4_17 C1_17 C2_17 F2_17 -82.1(14) . . . . ?
O1_17 C1_17 C2_17 F3_17 42.5(13) . . . . ?
C3_17 C1_17 C2_17 F3_17 -79.8(12) . . . . ?
C4_17 C1_17 C2_17 F3_17 161.2(10) . . . . ?
O1_17 C1_17 C2_17 F1_17 -75.2(13) . . . . ?
C3_17 C1_17 C2_17 F1_17 162.5(10) . . . . ?
C4_17 C1_17 C2_17 F1_17 43.5(12) . . . . ?
O1_17 C1_17 C3_17 F4_17 39.9(13) . . . . ?
C2_17 C1_17 C3_17 F4_17 161.5(11) . . . . ?
C4_17 C1_17 C3_17 F4_17 -78.9(12) . . . . ?
O1_17 C1_17 C3_17 F6_17 162.7(10) . . . . ?
C2_17 C1_17 C3_17 F6_17 -75.7(12) . . . . ?
C4_17 C1_17 C3_17 F6_17 43.9(12) . . . . ?
O1_17 C1_17 C3_17 F5_17 -78.5(11) . . . . ?
C2_17 C1_17 C3_17 F5_17 43.1(12) . . . . ?
C4_17 C1_17 C3_17 F5_17 162.7(10) . . . . ?
O1_17 C1_17 C4_17 F7_17 -73.7(11) . . . . ?
C3_17 C1_17 C4_17 F7_17 46.6(11) . . . . ?
C2_17 C1_17 C4_17 F7_17 167.0(9) . . . . ?
O1_17 C1_17 C4_17 F8_17 165.3(10) . . . . ?
C3_17 C1_17 C4_17 F8_17 -74.4(12) . . . . ?
C2_17 C1_17 C4_17 F8_17 46.1(12) . . . . ?
O1_17 C1_17 C4_17 F9_17 49.3(12) . . . . ?
C3_17 C1_17 C4_17 F9_17 169.5(10) . . . . ?
C2_17 C1_17 C4_17 F9_17 -70.0(12) . . . . ?
O1_26 Al1 O1_18 C1_18 92.3(18) . . . . ?
O1_12 Al1 O1_18 C1_18 -160.0(17) . . . . ?
O1_13 Al1 O1_18 C1_18 -42(2) . . . . ?
Al1 O1_18 C1_18 C2_18 58(2) . . . . ?
Al1 O1_18 C1_18 C3_18 -179.9(15) . . . . ?
Al1 O1_18 C1_18 C4_18 -61.9(19) . . . . ?
O1_18 C1_18 C2_18 F1_18 -80.0(12) . . . . ?
C3_18 C1_18 C2_18 F1_18 161.4(9) . . . . ?
C4_18 C1_18 C2_18 F1_18 42.1(11) . . . . ?
O1_18 C1_18 C2_18 F3_18 39.4(13) . . . . ?
C3_18 C1_18 C2_18 F3_18 -79.2(11) . . . . ?
C4_18 C1_18 C2_18 F3_18 161.5(9) . . . . ?
O1_18 C1_18 C2_18 F2_18 158.7(12) . . . . ?
C3_18 C1_18 C2_18 F2_18 40.1(14) . . . . ?
C4_18 C1_18 C2_18 F2_18 -79.2(13) . . . . ?
O1_18 C1_18 C3_18 F6_18 167.6(10) . . . . ?
C2_18 C1_18 C3_18 F6_18 -70.4(12) . . . . ?
C4_18 C1_18 C3_18 F6_18 48.1(12) . . . . ?
O1_18 C1_18 C3_18 F4_18 43.9(11) . . . . ?
C2_18 C1_18 C3_18 F4_18 165.9(9) . . . . ?
C4_18 C1_18 C3_18 F4_18 -75.6(10) . . . . ?
O1_18 C1_18 C3_18 F5_18 -75.1(12) . . . . ?
C2_18 C1_18 C3_18 F5_18 46.9(12) . . . . ?
C4_18 C1_18 C3_18 F5_18 165.4(9) . . . . ?
O1_18 C1_18 C4_18 F8_18 168.9(9) . . . . ?
C2_18 C1_18 C4_18 F8_18 46.4(11) . . . . ?
C3_18 C1_18 C4_18 F8_18 -74.8(10) . . . . ?
O1_18 C1_18 C4_18 F7_18 -69.3(13) . . . . ?
C2_18 C1_18 C4_18 F7_18 168.2(12) . . . . ?
C3_18 C1_18 C4_18 F7_18 47.0(13) . . . . ?
O1_18 C1_18 C4_18 F9_18 49.0(11) . . . . ?
C2_18 C1_18 C4_18 F9_18 -73.4(10) . . . . ?
C3_18 C1_18 C4_18 F9_18 165.3(9) . . . . ?
O1_7 Al4 O1_19 C1_19 -160.1(13) . . . . ?
O1_9 Al4 O1_19 C1_19 -40.9(16) . . . . ?
O1_8 Al4 O1_19 C1_19 88.9(15) . . . . ?
Al4 O1_19 C1_19 C3_19 -150.0(12) . . . . ?
Al4 O1_19 C1_19 C4_19 -28.9(17) . . . . ?
Al4 O1_19 C1_19 C2_19 90.1(14) . . . . ?
O1_19 C1_19 C2_19 F1_19 -45.4(10) . . . . ?
C3_19 C1_19 C2_19 F1_19 -165.5(8) . . . . ?
C4_19 C1_19 C2_19 F1_19 75.0(9) . . . . ?
O1_19 C1_19 C2_19 F3_19 75.7(10) . . . . ?
C3_19 C1_19 C2_19 F3_19 -44.5(10) . . . . ?
C4_19 C1_19 C2_19 F3_19 -163.9(8) . . . . ?
O1_19 C1_19 C2_19 F2_19 -164.8(8) . . . . ?
C3_19 C1_19 C2_19 F2_19 75.0(10) . . . . ?
C4_19 C1_19 C2_19 F2_19 -44.4(10) . . . . ?
O1_19 C1_19 C3_19 F6_19 -165.5(9) . . . . ?
C4_19 C1_19 C3_19 F6_19 73.4(11) . . . . ?
C2_19 C1_19 C3_19 F6_19 -44.7(11) . . . . ?
O1_19 C1_19 C3_19 F5_19 -45.8(11) . . . . ?
C4_19 C1_19 C3_19 F5_19 -166.9(8) . . . . ?
C2_19 C1_19 C3_19 F5_19 75.0(10) . . . . ?
O1_19 C1_19 C3_19 F4_19 75.1(11) . . . . ?
C4_19 C1_19 C3_19 F4_19 -46.0(11) . . . . ?
C2_19 C1_19 C3_19 F4_19 -164.1(9) . . . . ?
O1_19 C1_19 C4_19 F8_19 -164.0(9) . . . . ?
C3_19 C1_19 C4_19 F8_19 -43.3(12) . . . . ?
C2_19 C1_19 C4_19 F8_19 75.4(11) . . . . ?
O1_19 C1_19 C4_19 F9_19 75.8(10) . . . . ?
C3_19 C1_19 C4_19 F9_19 -163.5(8) . . . . ?
C2_19 C1_19 C4_19 F9_19 -44.8(10) . . . . ?
O1_19 C1_19 C4_19 F7_19 -46.1(11) . . . . ?
C3_19 C1_19 C4_19 F7_19 74.6(10) . . . . ?
C2_19 C1_19 C4_19 F7_19 -166.7(9) . . . . ?
O1_21 Al6 O1_20 C1_20 -46(6) . . . . ?
O1_17 Al6 O1_20 C1_20 86(6) . . . . ?
F28 Al6 O1_20 C1_20 -163(6) . . . . ?
Al6 O1_20 C1_20 C3_20 -109(6) . . . . ?
Al6 O1_20 C1_20 C4_20 15(6) . . . . ?
Al6 O1_20 C1_20 C2_20 133(6) . . . . ?
O1_20 C1_20 C2_20 F2_20 -154.2(16) . . . . ?
C3_20 C1_20 C2_20 F2_20 83.3(15) . . . . ?
C4_20 C1_20 C2_20 F2_20 -40.6(16) . . . . ?
O1_20 C1_20 C2_20 F3_20 86.6(17) . . . . ?
C3_20 C1_20 C2_20 F3_20 -35.8(17) . . . . ?
C4_20 C1_20 C2_20 F3_20 -159.7(15) . . . . ?
O1_20 C1_20 C2_20 F1_20 -29.2(18) . . . . ?
C3_20 C1_20 C2_20 F1_20 -151.6(15) . . . . ?
C4_20 C1_20 C2_20 F1_20 84.4(17) . . . . ?
O1_20 C1_20 C3_20 F4_20 84.8(19) . . . . ?
C4_20 C1_20 C3_20 F4_20 -36.0(18) . . . . ?
C2_20 C1_20 C3_20 F4_20 -159.4(15) . . . . ?
O1_20 C1_20 C3_20 F5_20 -36(2) . . . . ?
C4_20 C1_20 C3_20 F5_20 -157.3(16) . . . . ?
C2_20 C1_20 C3_20 F5_20 79.4(17) . . . . ?
O1_20 C1_20 C3_20 F6_20 -155.7(19) . . . . ?
C4_20 C1_20 C3_20 F6_20 83.5(19) . . . . ?
C2_20 C1_20 C3_20 F6_20 -39.8(19) . . . . ?
O1_20 C1_20 C4_20 F8_20 -161.4(17) . . . . ?
C3_20 C1_20 C4_20 F8_20 -35.5(19) . . . . ?
C2_20 C1_20 C4_20 F8_20 85.9(17) . . . . ?
O1_20 C1_20 C4_20 F9_20 77.7(16) . . . . ?
C3_20 C1_20 C4_20 F9_20 -156.4(14) . . . . ?
C2_20 C1_20 C4_20 F9_20 -35.0(16) . . . . ?
O1_20 C1_20 C4_20 F7_20 -45.1(17) . . . . ?
C3_20 C1_20 C4_20 F7_20 80.8(15) . . . . ?
C2_20 C1_20 C4_20 F7_20 -157.8(13) . . . . ?
O1_20 Al6 O1_21 C1_21 -93(6) . . . . ?
O1_17 Al6 O1_21 C1_21 128(6) . . . . ?
F28 Al6 O1_21 C1_21 21(7) . . . . ?
Al6 O1_21 C1_21 C3_21 23(7) . . . . ?
Al6 O1_21 C1_21 C2_21 -95(6) . . . . ?
Al6 O1_21 C1_21 C4_21 148(6) . . . . ?
O1_21 C1_21 C2_21 F2_21 162.8(16) . . . . ?
C3_21 C1_21 C2_21 F2_21 43.5(16) . . . . ?
C4_21 C1_21 C2_21 F2_21 -76.6(16) . . . . ?
O1_21 C1_21 C2_21 F1_21 -79.2(16) . . . . ?
C3_21 C1_21 C2_21 F1_21 161.6(13) . . . . ?
C4_21 C1_21 C2_21 F1_21 41.5(15) . . . . ?
O1_21 C1_21 C2_21 F3_21 38.7(18) . . . . ?
C3_21 C1_21 C2_21 F3_21 -80.5(16) . . . . ?
C4_21 C1_21 C2_21 F3_21 159.4(15) . . . . ?
O1_21 C1_21 C3_21 F5_21 -64.8(17) . . . . ?
C2_21 C1_21 C3_21 F5_21 51.8(15) . . . . ?
C4_21 C1_21 C3_21 F5_21 169.5(13) . . . . ?
O1_21 C1_21 C3_21 F6_21 174.2(18) . . . . ?
C2_21 C1_21 C3_21 F6_21 -69.2(17) . . . . ?
C4_21 C1_21 C3_21 F6_21 48.6(18) . . . . ?
O1_21 C1_21 C3_21 F4_21 57.7(18) . . . . ?
C2_21 C1_21 C3_21 F4_21 174.3(14) . . . . ?
C4_21 C1_21 C3_21 F4_21 -68.0(16) . . . . ?
O1_21 C1_21 C4_21 F7_21 -86.6(17) . . . . ?
C3_21 C1_21 C4_21 F7_21 37.6(16) . . . . ?
C2_21 C1_21 C4_21 F7_21 157.2(14) . . . . ?
O1_21 C1_21 C4_21 F9_21 42.1(18) . . . . ?
C3_21 C1_21 C4_21 F9_21 166.3(14) . . . . ?
C2_21 C1_21 C4_21 F9_21 -74.2(15) . . . . ?
O1_21 C1_21 C4_21 F8_21 153.1(16) . . . . ?
C3_21 C1_21 C4_21 F8_21 -82.7(16) . . . . ?
C2_21 C1_21 C4_21 F8_21 36.8(17) . . . . ?
O1_16 Al3 O1_22 C1_22 -156.8(10) . . . . ?
O1_11 Al3 O1_22 C1_22 82.6(10) . . . . ?
O1_23 Al3 O1_22 C1_22 -37.2(11) . . . . ?
Al3 O1_22 C1_22 C3_22 176.1(8) . . . . ?
Al3 O1_22 C1_22 C2_22 56.8(12) . . . . ?
Al3 O1_22 C1_22 C4_22 -63.9(12) . . . . ?
O1_22 C1_22 C2_22 F2_22 160.7(7) . . . . ?
C3_22 C1_22 C2_22 F2_22 40.3(10) . . . . ?
C4_22 C1_22 C2_22 F2_22 -79.5(9) . . . . ?
O1_22 C1_22 C2_22 F3_22 38.8(9) . . . . ?
C3_22 C1_22 C2_22 F3_22 -81.6(8) . . . . ?
C4_22 C1_22 C2_22 F3_22 158.6(7) . . . . ?
O1_22 C1_22 C2_22 F1_22 -79.0(8) . . . . ?
C3_22 C1_22 C2_22 F1_22 160.6(7) . . . . ?
C4_22 C1_22 C2_22 F1_22 40.9(8) . . . . ?
O1_22 C1_22 C3_22 F4_22 43.8(10) . . . . ?
C2_22 C1_22 C3_22 F4_22 165.0(8) . . . . ?
C4_22 C1_22 C3_22 F4_22 -75.3(9) . . . . ?
O1_22 C1_22 C3_22 F5_22 -74.5(9) . . . . ?
C2_22 C1_22 C3_22 F5_22 46.6(9) . . . . ?
C4_22 C1_22 C3_22 F5_22 166.3(7) . . . . ?
O1_22 C1_22 C3_22 F6_22 162.3(7) . . . . ?
C2_22 C1_22 C3_22 F6_22 -76.6(8) . . . . ?
C4_22 C1_22 C3_22 F6_22 43.1(9) . . . . ?
O1_22 C1_22 C4_22 F8_22 160.1(8) . . . . ?
C3_22 C1_22 C4_22 F8_22 -80.0(10) . . . . ?
C2_22 C1_22 C4_22 F8_22 38.6(10) . . . . ?
O1_22 C1_22 C4_22 F7_22 -74.6(9) . . . . ?
C3_22 C1_22 C4_22 F7_22 45.3(10) . . . . ?
C2_22 C1_22 C4_22 F7_22 163.9(8) . . . . ?
O1_22 C1_22 C4_22 F9_22 44.6(9) . . . . ?
C3_22 C1_22 C4_22 F9_22 164.5(7) . . . . ?
C2_22 C1_22 C4_22 F9_22 -76.9(9) . . . . ?
O1_22 Al3 O1_23 C1_23 163.6(18) . . . . ?
O1_16 Al3 O1_23 C1_23 -78.3(19) . . . . ?
O1_11 Al3 O1_23 C1_23 42(2) . . . . ?
Al3 O1_23 C1_23 C3_23 -76(2) . . . . ?
Al3 O1_23 C1_23 C2_23 163.3(17) . . . . ?
Al3 O1_23 C1_23 C4_23 45(2) . . . . ?
O1_23 C1_23 C2_23 F3_23 77.5(11) . . . . ?
C3_23 C1_23 C2_23 F3_23 -44.4(11) . . . . ?
C4_23 C1_23 C2_23 F3_23 -163.4(9) . . . . ?
O1_23 C1_23 C2_23 F1_23 -44.8(11) . . . . ?
C3_23 C1_23 C2_23 F1_23 -166.7(8) . . . . ?
C4_23 C1_23 C2_23 F1_23 74.3(10) . . . . ?
O1_23 C1_23 C2_23 F2_23 -163.5(9) . . . . ?
C3_23 C1_23 C2_23 F2_23 74.7(10) . . . . ?
C4_23 C1_23 C2_23 F2_23 -44.3(10) . . . . ?
O1_23 C1_23 C3_23 F5_23 -43.0(12) . . . . ?
C2_23 C1_23 C3_23 F5_23 75.8(11) . . . . ?
C4_23 C1_23 C3_23 F5_23 -164.7(9) . . . . ?
O1_23 C1_23 C3_23 F4_23 79.2(11) . . . . ?
C2_23 C1_23 C3_23 F4_23 -161.9(9) . . . . ?
C4_23 C1_23 C3_23 F4_23 -42.5(11) . . . . ?
O1_23 C1_23 C3_23 F6_23 -159.9(10) . . . . ?
C2_23 C1_23 C3_23 F6_23 -41.0(12) . . . . ?
C4_23 C1_23 C3_23 F6_23 78.4(11) . . . . ?
O1_23 C1_23 C4_23 F8_23 -164.3(9) . . . . ?
C3_23 C1_23 C4_23 F8_23 -41.5(11) . . . . ?
C2_23 C1_23 C4_23 F8_23 78.5(10) . . . . ?
O1_23 C1_23 C4_23 F9_23 73.0(10) . . . . ?
C3_23 C1_23 C4_23 F9_23 -164.2(8) . . . . ?
C2_23 C1_23 C4_23 F9_23 -44.2(10) . . . . ?
O1_23 C1_23 C4_23 F7_23 -43.1(11) . . . . ?
C3_23 C1_23 C4_23 F7_23 79.7(10) . . . . ?
C2_23 C1_23 C4_23 F7_23 -160.3(8) . . . . ?
O1_6 Al5 O1_24 C1_24 141.9(16) . . . . ?
O1_4 Al5 O1_24 C1_24 24.1(18) . . . . ?
O1_5 Al5 O1_24 C1_24 -100.0(16) . . . . ?
Al5 O1_24 C1_24 C3_24 47.9(19) . . . . ?
Al5 O1_24 C1_24 C2_24 -73.6(18) . . . . ?
Al5 O1_24 C1_24 C4_24 167.8(14) . . . . ?
O1_24 C1_24 C2_24 F3_24 46.7(11) . . . . ?
C3_24 C1_24 C2_24 F3_24 -75.3(10) . . . . ?
C4_24 C1_24 C2_24 F3_24 163.8(9) . . . . ?
O1_24 C1_24 C2_24 F2_24 166.3(8) . . . . ?
C3_24 C1_24 C2_24 F2_24 44.3(10) . . . . ?
C4_24 C1_24 C2_24 F2_24 -76.6(10) . . . . ?
O1_24 C1_24 C2_24 F1_24 -72.5(10) . . . . ?
C3_24 C1_24 C2_24 F1_24 165.5(9) . . . . ?
C4_24 C1_24 C2_24 F1_24 44.5(11) . . . . ?
O1_24 C1_24 C3_24 F4_24 39.7(12) . . . . ?
C2_24 C1_24 C3_24 F4_24 161.2(9) . . . . ?
C4_24 C1_24 C3_24 F4_24 -78.2(11) . . . . ?
O1_24 C1_24 C3_24 F6_24 162.3(9) . . . . ?
C2_24 C1_24 C3_24 F6_24 -76.2(10) . . . . ?
C4_24 C1_24 C3_24 F6_24 44.4(11) . . . . ?
O1_24 C1_24 C3_24 F5_24 -80.0(10) . . . . ?
C2_24 C1_24 C3_24 F5_24 41.6(10) . . . . ?
C4_24 C1_24 C3_24 F5_24 162.1(8) . . . . ?
O1_24 C1_24 C4_24 F7_24 -76.1(11) . . . . ?
C3_24 C1_24 C4_24 F7_24 44.2(12) . . . . ?
C2_24 C1_24 C4_24 F7_24 165.0(10) . . . . ?
O1_24 C1_24 C4_24 F8_24 162.9(9) . . . . ?
C3_24 C1_24 C4_24 F8_24 -76.8(10) . . . . ?
C2_24 C1_24 C4_24 F8_24 44.0(11) . . . . ?
O1_24 C1_24 C4_24 F9_24 42.1(11) . . . . ?
C3_24 C1_24 C4_24 F9_24 162.4(9) . . . . ?
C2_24 C1_24 C4_24 F9_24 -76.8(10) . . . . ?
O1_10 Al7 O1_25 C1_25 -89.6(13) . . . . ?
O1_15 Al7 O1_25 C1_25 40.9(11) . . . . ?
F27 Al7 O1_25 C1_25 153.1(9) . . . . ?
Al7 O1_25 C1_25 C4_25 -56.8(12) . . . . ?
Al7 O1_25 C1_25 C2_25 65.1(11) . . . . ?
Al7 O1_25 C1_25 C3_25 -176.4(8) . . . . ?
O1_25 C1_25 C2_25 F3_25 75.6(7) . . . . ?
C4_25 C1_25 C2_25 F3_25 -162.0(6) . . . . ?
C3_25 C1_25 C2_25 F3_25 -42.2(7) . . . . ?
O1_25 C1_25 C2_25 F1_25 -44.3(8) . . . . ?
C4_25 C1_25 C2_25 F1_25 78.1(7) . . . . ?
C3_25 C1_25 C2_25 F1_25 -162.2(6) . . . . ?
O1_25 C1_25 C2_25 F2_25 -163.5(6) . . . . ?
C4_25 C1_25 C2_25 F2_25 -41.1(8) . . . . ?
C3_25 C1_25 C2_25 F2_25 78.6(7) . . . . ?
O1_25 C1_25 C3_25 F6_25 -169.0(6) . . . . ?
C4_25 C1_25 C3_25 F6_25 70.8(8) . . . . ?
C2_25 C1_25 C3_25 F6_25 -48.8(8) . . . . ?
O1_25 C1_25 C3_25 F4_25 70.2(7) . . . . ?
C4_25 C1_25 C3_25 F4_25 -49.9(7) . . . . ?
C2_25 C1_25 C3_25 F4_25 -169.6(6) . . . . ?
O1_25 C1_25 C3_25 F5_25 -47.8(8) . . . . ?
C4_25 C1_25 C3_25 F5_25 -167.9(6) . . . . ?
C2_25 C1_25 C3_25 F5_25 72.4(7) . . . . ?
O1_25 C1_25 C4_25 F8_25 -161.5(6) . . . . ?
C2_25 C1_25 C4_25 F8_25 75.8(7) . . . . ?
C3_25 C1_25 C4_25 F8_25 -43.3(8) . . . . ?
O1_25 C1_25 C4_25 F7_25 -42.4(7) . . . . ?
C2_25 C1_25 C4_25 F7_25 -165.2(6) . . . . ?
C3_25 C1_25 C4_25 F7_25 75.8(7) . . . . ?
O1_25 C1_25 C4_25 F9_25 77.8(7) . . . . ?
C2_25 C1_25 C4_25 F9_25 -44.9(7) . . . . ?
C3_25 C1_25 C4_25 F9_25 -164.0(6) . . . . ?
O1_12 Al1 O1_26 C1_26 124(2) . . . . ?
O1_18 Al1 O1_26 C1_26 -121(2) . . . . ?
O1_13 Al1 O1_26 C1_26 2(3) . . . . ?
Al1 O1_26 C1_26 C3_26 51(3) . . . . ?
Al1 O1_26 C1_26 C2_26 -73(3) . . . . ?
Al1 O1_26 C1_26 C4_26 169(2) . . . . ?
O1_26 C1_26 C2_26 F3_26 83.5(16) . . . . ?
C3_26 C1_26 C2_26 F3_26 -41.3(16) . . . . ?
C4_26 C1_26 C2_26 F3_26 -159.9(14) . . . . ?
O1_26 C1_26 C2_26 F2_26 -157.8(13) . . . . ?
C3_26 C1_26 C2_26 F2_26 77.4(14) . . . . ?
C4_26 C1_26 C2_26 F2_26 -41.2(15) . . . . ?
O1_26 C1_26 C2_26 F1_26 -36.4(15) . . . . ?
C3_26 C1_26 C2_26 F1_26 -161.2(13) . . . . ?
C4_26 C1_26 C2_26 F1_26 80.2(14) . . . . ?
O1_26 C1_26 C3_26 F6_26 -178.0(12) . . . . ?
C2_26 C1_26 C3_26 F6_26 -51.6(14) . . . . ?
C4_26 C1_26 C3_26 F6_26 66.3(14) . . . . ?
O1_26 C1_26 C3_26 F5_26 -59.4(14) . . . . ?
C2_26 C1_26 C3_26 F5_26 67.0(14) . . . . ?
C4_26 C1_26 C3_26 F5_26 -175.1(12) . . . . ?
O1_26 C1_26 C3_26 F4_26 64.2(15) . . . . ?
C2_26 C1_26 C3_26 F4_26 -169.5(13) . . . . ?
C4_26 C1_26 C3_26 F4_26 -51.5(15) . . . . ?
O1_26 C1_26 C4_26 F9_26 65.7(12) . . . . ?
C3_26 C1_26 C4_26 F9_26 -175.0(10) . . . . ?
C2_26 C1_26 C4_26 F9_26 -56.3(12) . . . . ?
O1_26 C1_26 C4_26 F8_26 -170.5(13) . . . . ?
C3_26 C1_26 C4_26 F8_26 -51.2(15) . . . . ?
C2_26 C1_26 C4_26 F8_26 67.4(15) . . . . ?
O1_26 C1_26 C4_26 F7_26 -47.2(14) . . . . ?
C3_26 C1_26 C4_26 F7_26 72.1(14) . . . . ?
C2_26 C1_26 C4_26 F7_26 -169.2(12) . . . . ?
C13_27 P1_27 C1_27 C2_27 52.4(13) . . . . ?
C7_27 P1_27 C1_27 C2_27 163.5(11) . . . . ?
Ga4 P1_27 C1_27 C2_27 -65.7(12) . . . . ?
C13_27 P1_27 C1_27 C6_27 -173.4(10) . . . . ?
C7_27 P1_27 C1_27 C6_27 -62.3(13) . . . . ?
Ga4 P1_27 C1_27 C6_27 68.4(12) . . . . ?
C6_27 C1_27 C2_27 C3_27 48.3(17) . . . . ?
P1_27 C1_27 C2_27 C3_27 -179.1(11) . . . . ?
C1_27 C2_27 C3_27 C4_27 -53.7(17) . . . . ?
C2_27 C3_27 C4_27 C5_27 54.7(19) . . . . ?
C3_27 C4_27 C5_27 C6_27 -50(2) . . . . ?
C2_27 C1_27 C6_27 C5_27 -42.5(19) . . . . ?
P1_27 C1_27 C6_27 C5_27 -176.4(12) . . . . ?
C4_27 C5_27 C6_27 C1_27 43(2) . . . . ?
C1_27 P1_27 C7_27 C12_27 -179.6(11) . . . . ?
C13_27 P1_27 C7_27 C12_27 -65.6(12) . . . . ?
Ga4 P1_27 C7_27 C12_27 49.9(12) . . . . ?
C1_27 P1_27 C7_27 C8_27 -55.0(13) . . . . ?
C13_27 P1_27 C7_27 C8_27 59.0(12) . . . . ?
Ga4 P1_27 C7_27 C8_27 174.5(10) . . . . ?
C12_27 C7_27 C8_27 C9_27 -56.5(15) . . . . ?
P1_27 C7_27 C8_27 C9_27 178.4(11) . . . . ?
C7_27 C8_27 C9_27 C10_27 55.8(16) . . . . ?
C8_27 C9_27 C10_27 C11_27 -56.6(15) . . . . ?
C9_27 C10_27 C11_27 C12_27 57.2(15) . . . . ?
C8_27 C7_27 C12_27 C11_27 57.6(15) . . . . ?
P1_27 C7_27 C12_27 C11_27 -176.3(12) . . . . ?
C10_27 C11_27 C12_27 C7_27 -58.1(16) . . . . ?
C1_27 P1_27 C13_27 C14_27 -95.2(13) . . . . ?
C7_27 P1_27 C13_27 C14_27 151.5(11) . . . . ?
Ga4 P1_27 C13_27 C14_27 29.0(12) . . . . ?
P1_27 C13_27 C14_27 P2_27 -50.3(14) . . . . ?
C15_27 P2_27 C14_27 C13_27 171.9(10) . . . . ?
C21_27 P2_27 C14_27 C13_27 -66.9(13) . . . . ?
Ga4 P2_27 C14_27 C13_27 45.5(11) . . . . ?
C21_27 P2_27 C15_27 C16_27 88.0(9) . . . . ?
C14_27 P2_27 C15_27 C16_27 -156.2(8) . . . . ?
Ga4 P2_27 C15_27 C16_27 -39.5(9) . . . . ?
C21_27 P2_27 C15_27 C20_27 -39.8(14) . . . . ?
C14_27 P2_27 C15_27 C20_27 76.1(13) . . . . ?
Ga4 P2_27 C15_27 C20_27 -167.3(11) . . . . ?
C20_27 C15_27 C16_27 C17_27 -59.3(13) . . . . ?
P2_27 C15_27 C16_27 C17_27 169.3(9) . . . . ?
C15_27 C16_27 C17_27 C18_27 57.1(15) . . . . ?
C16_27 C17_27 C18_27 C19_27 -57.0(16) . . . . ?
C17_27 C18_27 C19_27 C20_27 58.9(14) . . . . ?
C18_27 C19_27 C20_27 C15_27 -60.5(17) . . . . ?
C16_27 C15_27 C20_27 C19_27 60.7(16) . . . . ?
P2_27 C15_27 C20_27 C19_27 -170.2(10) . . . . ?
C15_27 P2_27 C21_27 C22_27 -54.4(14) . . . . ?
C14_27 P2_27 C21_27 C22_27 -169.1(13) . . . . ?
Ga4 P2_27 C21_27 C22_27 79.6(13) . . . . ?
C15_27 P2_27 C21_27 C26_27 74.1(13) . . . . ?
C14_27 P2_27 C21_27 C26_27 -40.6(14) . . . . ?
Ga4 P2_27 C21_27 C26_27 -151.9(11) . . . . ?
C26_27 C21_27 C22_27 C23_27 57.2(17) . . . . ?
P2_27 C21_27 C22_27 C23_27 -171.7(14) . . . . ?
C21_27 C22_27 C23_27 C24_27 -55.7(18) . . . . ?
C22_27 C23_27 C24_27 C25_27 55.4(18) . . . . ?
C23_27 C24_27 C25_27 C26_27 -56.4(17) . . . . ?
C24_27 C25_27 C26_27 C21_27 56.4(15) . . . . ?
C22_27 C21_27 C26_27 C25_27 -56.9(15) . . . . ?
P2_27 C21_27 C26_27 C25_27 174.1(12) . . . . ?
C13_29 P1_29 C1_29 C6_29 179.6(5) . . . . ?
C7_29 P1_29 C1_29 C6_29 -66.7(6) . . . . ?
Ga5 P1_29 C1_29 C6_29 64.1(5) . . . . ?
C13_29 P1_29 C1_29 C2_29 53.9(6) . . . . ?
C7_29 P1_29 C1_29 C2_29 167.5(6) . . . . ?
Ga5 P1_29 C1_29 C2_29 -61.7(6) . . . . ?
C6_29 C1_29 C2_29 C3_29 52.7(10) . . . . ?
P1_29 C1_29 C2_29 C3_29 176.9(6) . . . . ?
C1_29 C2_29 C3_29 C4_29 -54.1(11) . . . . ?
C2_29 C3_29 C4_29 C5_29 55.9(11) . . . . ?
C3_29 C4_29 C5_29 C6_29 -55.8(11) . . . . ?
C2_29 C1_29 C6_29 C5_29 -52.0(9) . . . . ?
P1_29 C1_29 C6_29 C5_29 -177.2(6) . . . . ?
C4_29 C5_29 C6_29 C1_29 53.2(10) . . . . ?
C1_29 P1_29 C7_29 C8_29 -50.3(6) . . . . ?
C13_29 P1_29 C7_29 C8_29 62.9(6) . . . . ?
Ga5 P1_29 C7_29 C8_29 178.8(4) . . . . ?
C1_29 P1_29 C7_29 C12_29 -177.0(5) . . . . ?
C13_29 P1_29 C7_29 C12_29 -63.7(5) . . . . ?
Ga5 P1_29 C7_29 C12_29 52.2(5) . . . . ?
C12_29 C7_29 C8_29 C9_29 -56.9(8) . . . . ?
P1_29 C7_29 C8_29 C9_29 175.6(5) . . . . ?
C7_29 C8_29 C9_29 C10_29 55.9(9) . . . . ?
C8_29 C9_29 C10_29 C11_29 -56.2(10) . . . . ?
C9_29 C10_29 C11_29 C12_29 56.5(9) . . . . ?
C8_29 C7_29 C12_29 C11_29 57.1(7) . . . . ?
P1_29 C7_29 C12_29 C11_29 -175.3(5) . . . . ?
C10_29 C11_29 C12_29 C7_29 -56.4(8) . . . . ?
C1_29 P1_29 C13_29 C14_29 -94.6(5) . . . . ?
C7_29 P1_29 C13_29 C14_29 151.0(4) . . . . ?
Ga5 P1_29 C13_29 C14_29 28.1(5) . . . . ?
P1_29 C13_29 C14_29 P2_29 -53.0(6) . . . . ?
C21_29 P2_29 C14_29 C13_29 -62.4(5) . . . . ?
C15_29 P2_29 C14_29 C13_29 -179.1(4) . . . . ?
Ga5 P2_29 C14_29 C13_29 49.3(5) . . . . ?
C14_29 P2_29 C15_29 C20_29 -18.2(6) . . . . ?
C21_29 P2_29 C15_29 C20_29 -133.4(5) . . . . ?
Ga5 P2_29 C15_29 C20_29 101.7(5) . . . . ?
C14_29 P2_29 C15_29 C16_29 -144.5(5) . . . . ?
C21_29 P2_29 C15_29 C16_29 100.2(5) . . . . ?
Ga5 P2_29 C15_29 C16_29 -24.7(6) . . . . ?
C20_29 C15_29 C16_29 C17_29 54.1(8) . . . . ?
P2_29 C15_29 C16_29 C17_29 -179.2(5) . . . . ?
C15_29 C16_29 C17_29 C18_29 -53.7(8) . . . . ?
C16_29 C17_29 C18_29 C19_29 55.1(9) . . . . ?
C17_29 C18_29 C19_29 C20_29 -55.8(9) . . . . ?
C18_29 C19_29 C20_29 C15_29 55.0(9) . . . . ?
C16_29 C15_29 C20_29 C19_29 -54.8(8) . . . . ?
P2_29 C15_29 C20_29 C19_29 179.7(5) . . . . ?
C14_29 P2_29 C21_29 C22_29 -177.9(4) . . . . ?
C15_29 P2_29 C21_29 C22_29 -60.7(5) . . . . ?
Ga5 P2_29 C21_29 C22_29 73.2(4) . . . . ?
C14_29 P2_29 C21_29 C26_29 -50.7(5) . . . . ?
C15_29 P2_29 C21_29 C26_29 66.5(5) . . . . ?
Ga5 P2_29 C21_29 C26_29 -159.6(4) . . . . ?
C26_29 C21_29 C22_29 C23_29 57.6(7) . . . . ?
P2_29 C21_29 C22_29 C23_29 -173.8(4) . . . . ?
C21_29 C22_29 C23_29 C24_29 -56.8(7) . . . . ?
C22_29 C23_29 C24_29 C25_29 56.4(8) . . . . ?
C23_29 C24_29 C25_29 C26_29 -56.0(8) . . . . ?
C24_29 C25_29 C26_29 C21_29 55.3(8) . . . . ?
C22_29 C21_29 C26_29 C25_29 -56.6(7) . . . . ?
P2_29 C21_29 C26_29 C25_29 176.2(5) . . . . ?
C13_30 P1_30 C1_30 C2_30 54.2(5) . . . . ?
C7_30 P1_30 C1_30 C2_30 164.8(4) . . . . ?
Ga6 P1_30 C1_30 C2_30 -60.3(5) . . . . ?
C13_30 P1_30 C1_30 C6_30 179.7(4) . . . . ?
C7_30 P1_30 C1_30 C6_30 -69.7(5) . . . . ?
Ga6 P1_30 C1_30 C6_30 65.2(4) . . . . ?
C6_30 C1_30 C2_30 C3_30 54.7(7) . . . . ?
P1_30 C1_30 C2_30 C3_30 179.9(5) . . . . ?
C1_30 C2_30 C3_30 C4_30 -54.3(8) . . . . ?
C2_30 C3_30 C4_30 C5_30 53.8(8) . . . . ?
C3_30 C4_30 C5_30 C6_30 -54.3(7) . . . . ?
C4_30 C5_30 C6_30 C1_30 54.6(7) . . . . ?
C2_30 C1_30 C6_30 C5_30 -54.2(7) . . . . ?
P1_30 C1_30 C6_30 C5_30 179.1(4) . . . . ?
C1_30 P1_30 C7_30 C12_30 89.7(5) . . . . ?
C13_30 P1_30 C7_30 C12_30 -156.1(5) . . . . ?
Ga6 P1_30 C7_30 C12_30 -42.6(5) . . . . ?
C1_30 P1_30 C7_30 C8_30 -41.3(6) . . . . ?
C13_30 P1_30 C7_30 C8_30 72.9(5) . . . . ?
Ga6 P1_30 C7_30 C8_30 -173.6(4) . . . . ?
C12_30 C7_30 C8_30 C9_30 57.5(8) . . . . ?
P1_30 C7_30 C8_30 C9_30 -169.9(5) . . . . ?
C7_30 C8_30 C9_30 C10_30 -55.7(9) . . . . ?
C8_30 C9_30 C10_30 C11_30 55.1(10) . . . . ?
C9_30 C10_30 C11_30 C12_30 -54.1(10) . . . . ?
C8_30 C7_30 C12_30 C11_30 -56.9(7) . . . . ?
P1_30 C7_30 C12_30 C11_30 170.7(5) . . . . ?
C10_30 C11_30 C12_30 C7_30 54.3(8) . . . . ?
C1_30 P1_30 C13_30 C14_30 -84.9(5) . . . . ?
C7_30 P1_30 C13_30 C14_30 161.0(5) . . . . ?
Ga6 P1_30 C13_30 C14_30 36.4(5) . . . . ?
P1_30 C13_30 C14_30 P2_30 -48.0(6) . . . . ?
C21_30 P2_30 C14_30 C13_30 -82.2(5) . . . . ?
C15_30 P2_30 C14_30 C13_30 159.3(5) . . . . ?
Ga6 P2_30 C14_30 C13_30 32.6(5) . . . . ?
C21_30 P2_30 C15_30 C16_30 172.9(5) . . . . ?
C14_30 P2_30 C15_30 C16_30 -69.8(6) . . . . ?
Ga6 P2_30 C15_30 C16_30 45.7(6) . . . . ?
C21_30 P2_30 C15_30 C20_30 -63.2(6) . . . . ?
C14_30 P2_30 C15_30 C20_30 54.1(6) . . . . ?
Ga6 P2_30 C15_30 C20_30 169.6(5) . . . . ?
C20_30 C15_30 C16_30 C17_30 55.9(8) . . . . ?
P2_30 C15_30 C16_30 C17_30 -179.2(5) . . . . ?
C15_30 C16_30 C17_30 C18_30 -57.5(9) . . . . ?
C16_30 C17_30 C18_30 C19_30 58.3(9) . . . . ?
C17_30 C18_30 C19_30 C20_30 -57.5(10) . . . . ?
C18_30 C19_30 C20_30 C15_30 55.7(10) . . . . ?
C16_30 C15_30 C20_30 C19_30 -54.8(9) . . . . ?
P2_30 C15_30 C20_30 C19_30 -178.3(6) . . . . ?
C15_30 P2_30 C21_30 C22_30 -54.9(7) . . . . ?
C14_30 P2_30 C21_30 C22_30 -169.2(6) . . . . ?
Ga6 P2_30 C21_30 C22_30 78.8(6) . . . . ?
C15_30 P2_30 C21_30 C26_30 75.5(6) . . . . ?
C14_30 P2_30 C21_30 C26_30 -38.9(6) . . . . ?
Ga6 P2_30 C21_30 C26_30 -150.8(5) . . . . ?
C26_30 C21_30 C22_30 C23_30 58.7(9) . . . . ?
P2_30 C21_30 C22_30 C23_30 -167.7(7) . . . . ?
C21_30 C22_30 C23_30 C24_30 -55.6(11) . . . . ?
C22_30 C23_30 C24_30 C25_30 55.3(12) . . . . ?
C23_30 C24_30 C25_30 C26_30 -56.3(12) . . . . ?
C22_30 C21_30 C26_30 C25_30 -58.1(8) . . . . ?
P2_30 C21_30 C26_30 C25_30 172.1(5) . . . . ?
C24_30 C25_30 C26_30 C21_30 56.3(9) . . . . ?
C7_31 P1_31 C1_31 C6_31 -73.5(5) . . . . ?
C13_31 P1_31 C1_31 C6_31 176.2(5) . . . . ?
Ga2 P1_31 C1_31 C6_31 61.2(5) . . . . ?
C7_31 P1_31 C1_31 C2_31 162.0(5) . . . . ?
C13_31 P1_31 C1_31 C2_31 51.6(6) . . . . ?
Ga2 P1_31 C1_31 C2_31 -63.4(5) . . . . ?
C6_31 C1_31 C2_31 C3_31 53.4(8) . . . . ?
P1_31 C1_31 C2_31 C3_31 177.0(6) . . . . ?
C1_31 C2_31 C3_31 C4_31 -54.6(10) . . . . ?
C2_31 C3_31 C4_31 C5_31 57.0(10) . . . . ?
C3_31 C4_31 C5_31 C6_31 -57.6(9) . . . . ?
C2_31 C1_31 C6_31 C5_31 -54.2(8) . . . . ?
P1_31 C1_31 C6_31 C5_31 -179.2(5) . . . . ?
C4_31 C5_31 C6_31 C1_31 56.3(9) . . . . ?
C1_31 P1_31 C7_31 C12_31 82.1(5) . . . . ?
C13_31 P1_31 C7_31 C12_31 -164.4(5) . . . . ?
Ga2 P1_31 C7_31 C12_31 -53.2(5) . . . . ?
C1_31 P1_31 C7_31 C8_31 -48.7(5) . . . . ?
C13_31 P1_31 C7_31 C8_31 64.8(5) . . . . ?
Ga2 P1_31 C7_31 C8_31 176.1(4) . . . . ?
C12_31 C7_31 C8_31 C9_31 57.5(7) . . . . ?
P1_31 C7_31 C8_31 C9_31 -170.0(4) . . . . ?
C7_31 C8_31 C9_31 C10_31 -56.0(7) . . . . ?
C8_31 C9_31 C10_31 C11_31 55.7(8) . . . . ?
C9_31 C10_31 C11_31 C12_31 -54.4(8) . . . . ?
C8_31 C7_31 C12_31 C11_31 -57.0(8) . . . . ?
P1_31 C7_31 C12_31 C11_31 170.9(5) . . . . ?
C10_31 C11_31 C12_31 C7_31 55.0(8) . . . . ?
C1_31 P1_31 C13_31 C14_31 -86.7(5) . . . . ?
C7_31 P1_31 C13_31 C14_31 156.9(5) . . . . ?
Ga2 P1_31 C13_31 C14_31 36.9(5) . . . . ?
P1_31 C13_31 C14_31 P2_31 -51.8(6) . . . . ?
C21_31 P2_31 C14_31 C13_31 -81.1(5) . . . . ?
C15_31 P2_31 C14_31 C13_31 162.9(5) . . . . ?
Ga2 P2_31 C14_31 C13_31 38.0(5) . . . . ?
C14_31 P2_31 C15_31 C20_31 173.8(5) . . . . ?
C21_31 P2_31 C15_31 C20_31 62.5(5) . . . . ?
Ga2 P2_31 C15_31 C20_31 -71.2(5) . . . . ?
C14_31 P2_31 C15_31 C16_31 -61.4(5) . . . . ?
C21_31 P2_31 C15_31 C16_31 -172.6(4) . . . . ?
Ga2 P2_31 C15_31 C16_31 53.7(5) . . . . ?
C20_31 C15_31 C16_31 C17_31 -56.0(7) . . . . ?
P2_31 C15_31 C16_31 C17_31 179.0(5) . . . . ?
C15_31 C16_31 C17_31 C18_31 56.5(8) . . . . ?
C16_31 C17_31 C18_31 C19_31 -55.9(9) . . . . ?
C17_31 C18_31 C19_31 C20_31 54.7(9) . . . . ?
C16_31 C15_31 C20_31 C19_31 55.2(7) . . . . ?
P2_31 C15_31 C20_31 C19_31 -179.1(5) . . . . ?
C18_31 C19_31 C20_31 C15_31 -54.5(9) . . . . ?
C14_31 P2_31 C21_31 C26_31 -71.3(5) . . . . ?
C15_31 P2_31 C21_31 C26_31 40.1(5) . . . . ?
Ga2 P2_31 C21_31 C26_31 176.2(4) . . . . ?
C14_31 P2_31 C21_31 C22_31 160.5(4) . . . . ?
C15_31 P2_31 C21_31 C22_31 -88.2(5) . . . . ?
Ga2 P2_31 C21_31 C22_31 48.0(5) . . . . ?
C26_31 C21_31 C22_31 C23_31 59.8(7) . . . . ?
P2_31 C21_31 C22_31 C23_31 -169.8(4) . . . . ?
C21_31 C22_31 C23_31 C24_31 -58.2(7) . . . . ?
C22_31 C23_31 C24_31 C25_31 55.3(8) . . . . ?
C23_31 C24_31 C25_31 C26_31 -53.6(8) . . . . ?
C22_31 C21_31 C26_31 C25_31 -57.6(7) . . . . ?
P2_31 C21_31 C26_31 C25_31 172.3(4) . . . . ?
C24_31 C25_31 C26_31 C21_31 54.4(8) . . . . ?
C13_32 P1_32 C1_32 C6_32 158.5(5) . . . . ?
C7_32 P1_32 C1_32 C6_32 44.7(6) . . . . ?
Ga1 P1_32 C1_32 C6_32 -87.6(5) . . . . ?
C13_32 P1_32 C1_32 C2_32 29.4(7) . . . . ?
C7_32 P1_32 C1_32 C2_32 -84.3(6) . . . . ?
Ga1 P1_32 C1_32 C2_32 143.3(5) . . . . ?
C6_32 C1_32 C2_32 C3_32 56.8(9) . . . . ?
P1_32 C1_32 C2_32 C3_32 -174.0(6) . . . . ?
C1_32 C2_32 C3_32 C4_32 -56.4(10) . . . . ?
C2_32 C3_32 C4_32 C5_32 56.2(10) . . . . ?
C3_32 C4_32 C5_32 C6_32 -54.9(10) . . . . ?
C2_32 C1_32 C6_32 C5_32 -55.8(8) . . . . ?
P1_32 C1_32 C6_32 C5_32 172.7(5) . . . . ?
C4_32 C5_32 C6_32 C1_32 54.0(9) . . . . ?
C13_32 P1_32 C7_32 C8_32 -61.3(6) . . . . ?
C1_32 P1_32 C7_32 C8_32 55.3(6) . . . . ?
Ga1 P1_32 C7_32 C8_32 -175.7(4) . . . . ?
C13_32 P1_32 C7_32 C12_32 64.8(6) . . . . ?
C1_32 P1_32 C7_32 C12_32 -178.6(6) . . . . ?
Ga1 P1_32 C7_32 C12_32 -49.6(6) . . . . ?
C12_32 C7_32 C8_32 C9_32 51.3(9) . . . . ?
P1_32 C7_32 C8_32 C9_32 177.5(5) . . . . ?
C7_32 C8_32 C9_32 C10_32 -54.8(9) . . . . ?
C8_32 C9_32 C10_32 C11_32 57.3(10) . . . . ?
C9_32 C10_32 C11_32 C12_32 -57.6(10) . . . . ?
C10_32 C11_32 C12_32 C7_32 55.4(11) . . . . ?
C8_32 C7_32 C12_32 C11_32 -51.8(10) . . . . ?
P1_32 C7_32 C12_32 C11_32 -179.0(6) . . . . ?
C1_32 P1_32 C13_32 C14_32 101.8(10) . . . . ?
C7_32 P1_32 C13_32 C14_32 -140.5(10) . . . . ?
Ga1 P1_32 C13_32 C14_32 -16.8(11) . . . . ?
P1_32 C13_32 C14_32 P2_32 25.9(14) . . . . ?
C15_32 P2_32 C14_32 C13_32 -139.2(10) . . . . ?
C21_32 P2_32 C14_32 C13_32 107.1(10) . . . . ?
Ga1 P2_32 C14_32 C13_32 -19.6(10) . . . . ?
C14_32 P2_32 C15_32 C16_32 157.4(6) . . . . ?
C21_32 P2_32 C15_32 C16_32 -89.6(6) . . . . ?
Ga1 P2_32 C15_32 C16_32 47.4(6) . . . . ?
C14_32 P2_32 C15_32 C20_32 -72.1(6) . . . . ?
C21_32 P2_32 C15_32 C20_32 41.0(6) . . . . ?
Ga1 P2_32 C15_32 C20_32 177.9(5) . . . . ?
C20_32 C15_32 C16_32 C17_32 60.5(8) . . . . ?
P2_32 C15_32 C16_32 C17_32 -167.1(5) . . . . ?
C15_32 C16_32 C17_32 C18_32 -57.9(10) . . . . ?
C16_32 C17_32 C18_32 C19_32 55.2(11) . . . . ?
C17_32 C18_32 C19_32 C20_32 -54.3(11) . . . . ?
C16_32 C15_32 C20_32 C19_32 -57.9(9) . . . . ?
P2_32 C15_32 C20_32 C19_32 169.5(6) . . . . ?
C18_32 C19_32 C20_32 C15_32 54.4(10) . . . . ?
C14_32 P2_32 C21_32 C22_32 174.8(5) . . . . ?
C15_32 P2_32 C21_32 C22_32 68.2(6) . . . . ?
Ga1 P2_32 C21_32 C22_32 -67.5(5) . . . . ?
C14_32 P2_32 C21_32 C26_32 -59.5(6) . . . . ?
C15_32 P2_32 C21_32 C26_32 -166.1(5) . . . . ?
Ga1 P2_32 C21_32 C26_32 58.1(6) . . . . ?
C26_32 C21_32 C22_32 C23_32 55.9(8) . . . . ?
P2_32 C21_32 C22_32 C23_32 -176.8(5) . . . . ?
C21_32 C22_32 C23_32 C24_32 -54.6(9) . . . . ?
C22_32 C23_32 C24_32 C25_32 53.8(10) . . . . ?
C23_32 C24_32 C25_32 C26_32 -54.6(10) . . . . ?
C24_32 C25_32 C26_32 C21_32 55.7(9) . . . . ?
C22_32 C21_32 C26_32 C25_32 -56.3(8) . . . . ?
P2_32 C21_32 C26_32 C25_32 177.7(5) . . . . ?
O1_34 Al4 O1_33 C1_33 -48(2) . . . . ?
O1_47 Al4 O1_33 C1_33 -159(2) . . . . ?
Al4 O1_33 C1_33 C4_33 -25(2) . . . . ?
Al4 O1_33 C1_33 C3_33 -144.1(18) . . . . ?
Al4 O1_33 C1_33 C2_33 96(2) . . . . ?
O1_33 C1_33 C2_33 F1_33 -162.7(11) . . . . ?
C4_33 C1_33 C2_33 F1_33 -41.1(13) . . . . ?
C3_33 C1_33 C2_33 F1_33 77.9(13) . . . . ?
O1_33 C1_33 C2_33 F2_33 -41.4(14) . . . . ?
C4_33 C1_33 C2_33 F2_33 80.3(13) . . . . ?
C3_33 C1_33 C2_33 F2_33 -160.8(11) . . . . ?
O1_33 C1_33 C2_33 F3_33 77.4(12) . . . . ?
C4_33 C1_33 C2_33 F3_33 -161.0(10) . . . . ?
C3_33 C1_33 C2_33 F3_33 -42.0(13) . . . . ?
O1_33 C1_33 C3_33 F5_33 -42.1(13) . . . . ?
C4_33 C1_33 C3_33 F5_33 -161.9(10) . . . . ?
C2_33 C1_33 C3_33 F5_33 79.0(12) . . . . ?
O1_33 C1_33 C3_33 F4_33 -163.3(11) . . . . ?
C4_33 C1_33 C3_33 F4_33 76.9(12) . . . . ?
C2_33 C1_33 C3_33 F4_33 -42.2(13) . . . . ?
O1_33 C1_33 C3_33 F6_33 75.9(12) . . . . ?
C4_33 C1_33 C3_33 F6_33 -43.9(12) . . . . ?
C2_33 C1_33 C3_33 F6_33 -163.0(10) . . . . ?
O1_33 C1_33 C4_33 F9_33 80.6(13) . . . . ?
C3_33 C1_33 C4_33 F9_33 -160.8(10) . . . . ?
C2_33 C1_33 C4_33 F9_33 -41.5(13) . . . . ?
O1_33 C1_33 C4_33 F8_33 -158.1(14) . . . . ?
C3_33 C1_33 C4_33 F8_33 -39.5(15) . . . . ?
C2_33 C1_33 C4_33 F8_33 79.8(14) . . . . ?
O1_33 C1_33 C4_33 F7_33 -38.9(14) . . . . ?
C3_33 C1_33 C4_33 F7_33 79.6(13) . . . . ?
C2_33 C1_33 C4_33 F7_33 -161.1(11) . . . . ?
F8_33 C4_33 F9_33 F7_34 -179(100) . . . . ?
F7_33 C4_33 F9_33 F7_34 66(3) . . . . ?
C1_33 C4_33 F9_33 F7_34 -56(3) . . . . ?
O1_33 Al4 O1_34 C1_34 95(3) . . . . ?
O1_47 Al4 O1_34 C1_34 -171(3) . . . . ?
Al4 O1_34 C1_34 C3_34 -161(2) . . . . ?
Al4 O1_34 C1_34 C2_34 79(3) . . . . ?
Al4 O1_34 C1_34 C4_34 -41(3) . . . . ?
O1_34 C1_34 C2_34 F3_34 42.1(15) . . . . ?
C3_34 C1_34 C2_34 F3_34 -76.6(13) . . . . ?
C4_34 C1_34 C2_34 F3_34 163.2(11) . . . . ?
O1_34 C1_34 C2_34 F2_34 158.8(13) . . . . ?
C3_34 C1_34 C2_34 F2_34 40.2(14) . . . . ?
C4_34 C1_34 C2_34 F2_34 -80.0(13) . . . . ?
O1_34 C1_34 C2_34 F1_34 -78.3(16) . . . . ?
C3_34 C1_34 C2_34 F1_34 163.1(13) . . . . ?
C4_34 C1_34 C2_34 F1_34 42.9(15) . . . . ?
O1_34 C1_34 C3_34 F4_34 46.1(16) . . . . ?
C2_34 C1_34 C3_34 F4_34 165.3(13) . . . . ?
C4_34 C1_34 C3_34 F4_34 -74.7(14) . . . . ?
O1_34 C1_34 C3_34 F5_34 -75.7(14) . . . . ?
C2_34 C1_34 C3_34 F5_34 43.4(14) . . . . ?
C4_34 C1_34 C3_34 F5_34 163.4(11) . . . . ?
O1_34 C1_34 C3_34 F6_34 163.0(13) . . . . ?
C2_34 C1_34 C3_34 F6_34 -77.9(14) . . . . ?
C4_34 C1_34 C3_34 F6_34 42.1(15) . . . . ?
O1_34 C1_34 C4_34 F9_34 43.4(15) . . . . ?
C3_34 C1_34 C4_34 F9_34 162.5(10) . . . . ?
C2_34 C1_34 C4_34 F9_34 -76.6(12) . . . . ?
O1_34 C1_34 C4_34 F8_34 163.1(13) . . . . ?
C3_34 C1_34 C4_34 F8_34 -77.8(12) . . . . ?
C2_34 C1_34 C4_34 F8_34 43.2(13) . . . . ?
O1_34 C1_34 C4_34 F7_34 -76.5(14) . . . . ?
C3_34 C1_34 C4_34 F7_34 42.7(13) . . . . ?
C2_34 C1_34 C4_34 F7_34 163.6(10) . . . . ?
F9_34 C4_34 F7_34 F9_33 -8.9(11) . . . . ?
F8_34 C4_34 F7_34 F9_33 -126.8(10) . . . . ?
C1_34 C4_34 F7_34 F9_33 111.8(9) . . . . ?
C4_33 F9_33 F7_34 C4_34 -50(3) . . . . ?
O1_38 Al1 O1_35 C1_35 -93(5) . . . . ?
O1_49 Al1 O1_35 C1_35 50(5) . . . . ?
O1_45 Al1 O1_35 C1_35 172(5) . . . . ?
Al1 O1_35 C1_35 C4_35 171(4) . . . . ?
Al1 O1_35 C1_35 C3_35 50(5) . . . . ?
Al1 O1_35 C1_35 C2_35 -72(5) . . . . ?
O1_35 C1_35 C2_35 F2_35 83.7(19) . . . . ?
C4_35 C1_35 C2_35 F2_35 -157.7(16) . . . . ?
C3_35 C1_35 C2_35 F2_35 -38.1(19) . . . . ?
O1_35 C1_35 C2_35 F3_35 -36.0(19) . . . . ?
C4_35 C1_35 C2_35 F3_35 82.6(17) . . . . ?
C3_35 C1_35 C2_35 F3_35 -157.8(15) . . . . ?
O1_35 C1_35 C2_35 F1_35 -155.4(19) . . . . ?
C4_35 C1_35 C2_35 F1_35 -36.9(19) . . . . ?
C3_35 C1_35 C2_35 F1_35 82.7(18) . . . . ?
O1_35 C1_35 C3_35 F6_35 -168.5(17) . . . . ?
C4_35 C1_35 C3_35 F6_35 70.6(17) . . . . ?
C2_35 C1_35 C3_35 F6_35 -47.9(18) . . . . ?
O1_35 C1_35 C3_35 F5_35 -49.4(19) . . . . ?
C4_35 C1_35 C3_35 F5_35 -170.2(15) . . . . ?
C2_35 C1_35 C3_35 F5_35 71.3(17) . . . . ?
O1_35 C1_35 C3_35 F4_35 75(2) . . . . ?
C4_35 C1_35 C3_35 F4_35 -46.0(19) . . . . ?
C2_35 C1_35 C3_35 F4_35 -164.5(17) . . . . ?
O1_35 C1_35 C4_35 F8_35 -40.1(19) . . . . ?
C3_35 C1_35 C4_35 F8_35 81.4(17) . . . . ?
C2_35 C1_35 C4_35 F8_35 -158.0(16) . . . . ?
O1_35 C1_35 C4_35 F7_35 -159.3(18) . . . . ?
C3_35 C1_35 C4_35 F7_35 -37.8(19) . . . . ?
C2_35 C1_35 C4_35 F7_35 82.8(18) . . . . ?
O1_35 C1_35 C4_35 F9_35 80.3(19) . . . . ?
C3_35 C1_35 C4_35 F9_35 -158.2(16) . . . . ?
C2_35 C1_35 C4_35 F9_35 -37.6(18) . . . . ?
C13_36 P1_36 C1_36 C6_36 132(3) . . . . ?
C7_36 P1_36 C1_36 C6_36 -121(3) . . . . ?
Ga1 P1_36 C1_36 C6_36 15(4) . . . . ?
C13_36 P1_36 C1_36 C2_36 -9(4) . . . . ?
C7_36 P1_36 C1_36 C2_36 97(4) . . . . ?
Ga1 P1_36 C1_36 C2_36 -126(4) . . . . ?
C6_36 C1_36 C2_36 C3_36 55(3) . . . . ?
P1_36 C1_36 C2_36 C3_36 -163(3) . . . . ?
C1_36 C2_36 C3_36 C4_36 -54(3) . . . . ?
C2_36 C3_36 C4_36 C5_36 54(3) . . . . ?
C3_36 C4_36 C5_36 C6_36 -52(4) . . . . ?
C2_36 C1_36 C6_36 C5_36 -53(3) . . . . ?
P1_36 C1_36 C6_36 C5_36 163(3) . . . . ?
C4_36 C5_36 C6_36 C1_36 51(4) . . . . ?
C1_36 P1_36 C7_36 C12_36 128(3) . . . . ?
C13_36 P1_36 C7_36 C12_36 -116(3) . . . . ?
Ga1 P1_36 C7_36 C12_36 -6(3) . . . . ?
C1_36 P1_36 C7_36 C8_36 -107(3) . . . . ?
C13_36 P1_36 C7_36 C8_36 9(3) . . . . ?
Ga1 P1_36 C7_36 C8_36 119(3) . . . . ?
C12_36 C7_36 C8_36 C9_36 -57(3) . . . . ?
P1_36 C7_36 C8_36 C9_36 177(3) . . . . ?
C7_36 C8_36 C9_36 C10_36 54(3) . . . . ?
C8_36 C9_36 C10_36 C11_36 -54(3) . . . . ?
C9_36 C10_36 C11_36 C12_36 54(3) . . . . ?
C8_36 C7_36 C12_36 C11_36 58(3) . . . . ?
P1_36 C7_36 C12_36 C11_36 -178(3) . . . . ?
C10_36 C11_36 C12_36 C7_36 -57(3) . . . . ?
C1_36 P1_36 C13_36 C14_36 -85(3) . . . . ?
C7_36 P1_36 C13_36 C14_36 164(3) . . . . ?
Ga1 P1_36 C13_36 C14_36 39(3) . . . . ?
P1_36 C13_36 C14_36 P2_36 -61(4) . . . . ?
C15_36 P2_36 C14_36 C13_36 173(3) . . . . ?
C21_36 P2_36 C14_36 C13_36 -68(3) . . . . ?
Ga1 P2_36 C14_36 C13_36 48(3) . . . . ?
C21_36 P2_36 C15_36 C16_36 125(4) . . . . ?
C14_36 P2_36 C15_36 C16_36 -118(4) . . . . ?
Ga1 P2_36 C15_36 C16_36 -4(4) . . . . ?
C21_36 P2_36 C15_36 C20_36 -82(4) . . . . ?
C14_36 P2_36 C15_36 C20_36 36(4) . . . . ?
Ga1 P2_36 C15_36 C20_36 150(3) . . . . ?
C20_36 C15_36 C16_36 C17_36 54(3) . . . . ?
P2_36 C15_36 C16_36 C17_36 -151(3) . . . . ?
C15_36 C16_36 C17_36 C18_36 -52(3) . . . . ?
C16_36 C17_36 C18_36 C19_36 51(4) . . . . ?
C17_36 C18_36 C19_36 C20_36 -50(4) . . . . ?
C16_36 C15_36 C20_36 C19_36 -53(3) . . . . ?
P2_36 C15_36 C20_36 C19_36 152(4) . . . . ?
C18_36 C19_36 C20_36 C15_36 50(4) . . . . ?
C15_36 P2_36 C21_36 C26_36 165(3) . . . . ?
C14_36 P2_36 C21_36 C26_36 50(3) . . . . ?
Ga1 P2_36 C21_36 C26_36 -61(3) . . . . ?
C15_36 P2_36 C21_36 C22_36 35(3) . . . . ?
C14_36 P2_36 C21_36 C22_36 -81(3) . . . . ?
Ga1 P2_36 C21_36 C22_36 168(3) . . . . ?
C26_36 C21_36 C22_36 C23_36 56(3) . . . . ?
P2_36 C21_36 C22_36 C23_36 -172(3) . . . . ?
C21_36 C22_36 C23_36 C24_36 -56(3) . . . . ?
C22_36 C23_36 C24_36 C25_36 56(3) . . . . ?
C23_36 C24_36 C25_36 C26_36 -54(3) . . . . ?
C22_36 C21_36 C26_36 C25_36 -55(3) . . . . ?
P2_36 C21_36 C26_36 C25_36 174(3) . . . . ?
C24_36 C25_36 C26_36 C21_36 53(3) . . . . ?
O1_58 Al2 O1_37 C1_37 161(3) . . . . ?
Al2 O1_37 C1_37 C4_37 1(3) . . . . ?
Al2 O1_37 C1_37 C2_37 120(3) . . . . ?
Al2 O1_37 C1_37 C3_37 -126(3) . . . . ?
O1_37 C1_37 C2_37 F1_37 -81(2) . . . . ?
C4_37 C1_37 C2_37 F1_37 42(2) . . . . ?
C3_37 C1_37 C2_37 F1_37 163.5(18) . . . . ?
O1_37 C1_37 C2_37 F2_37 158.3(18) . . . . ?
C4_37 C1_37 C2_37 F2_37 -79.1(18) . . . . ?
C3_37 C1_37 C2_37 F2_37 42.3(18) . . . . ?
O1_37 C1_37 C2_37 F3_37 43(2) . . . . ?
C4_37 C1_37 C2_37 F3_37 166.0(17) . . . . ?
C3_37 C1_37 C2_37 F3_37 -72.6(18) . . . . ?
O1_37 C1_37 C3_37 F6_37 163.8(18) . . . . ?
C4_37 C1_37 C3_37 F6_37 38(2) . . . . ?
C2_37 C1_37 C3_37 F6_37 -78.4(18) . . . . ?
O1_37 C1_37 C3_37 F4_37 46.3(19) . . . . ?
C4_37 C1_37 C3_37 F4_37 -79.7(18) . . . . ?
C2_37 C1_37 C3_37 F4_37 164.2(16) . . . . ?
O1_37 C1_37 C3_37 F5_37 -75.7(17) . . . . ?
C4_37 C1_37 C3_37 F5_37 158.3(15) . . . . ?
C2_37 C1_37 C3_37 F5_37 42.1(17) . . . . ?
O1_37 C1_37 C4_37 F9_37 40(2) . . . . ?
C2_37 C1_37 C4_37 F9_37 -81.0(17) . . . . ?
C3_37 C1_37 C4_37 F9_37 163.8(15) . . . . ?
O1_37 C1_37 C4_37 F7_37 -79(2) . . . . ?
C2_37 C1_37 C4_37 F7_37 159.9(18) . . . . ?
C3_37 C1_37 C4_37 F7_37 45(2) . . . . ?
O1_37 C1_37 C4_37 F8_37 158.3(18) . . . . ?
C2_37 C1_37 C4_37 F8_37 36.9(19) . . . . ?
C3_37 C1_37 C4_37 F8_37 -78.2(19) . . . . ?
O1_35 Al1 O1_38 C1_38 109(4) . . . . ?
O1_49 Al1 O1_38 C1_38 -24(4) . . . . ?
O1_45 Al1 O1_38 C1_38 -154(4) . . . . ?
Al1 O1_38 C1_38 C4_38 175(4) . . . . ?
Al1 O1_38 C1_38 C2_38 -63(4) . . . . ?
Al1 O1_38 C1_38 C3_38 59(4) . . . . ?
O1_38 C1_38 C2_38 F3_38 36(2) . . . . ?
C4_38 C1_38 C2_38 F3_38 157.0(16) . . . . ?
C3_38 C1_38 C2_38 F3_38 -84.7(17) . . . . ?
O1_38 C1_38 C2_38 F2_38 161.4(17) . . . . ?
C4_38 C1_38 C2_38 F2_38 -77.9(18) . . . . ?
C3_38 C1_38 C2_38 F2_38 40.5(18) . . . . ?
O1_38 C1_38 C2_38 F1_38 -77.7(18) . . . . ?
C4_38 C1_38 C2_38 F1_38 43.0(17) . . . . ?
C3_38 C1_38 C2_38 F1_38 161.3(15) . . . . ?
O1_38 C1_38 C3_38 F6_38 158.6(17) . . . . ?
C4_38 C1_38 C3_38 F6_38 42.9(19) . . . . ?
C2_38 C1_38 C3_38 F6_38 -77.1(18) . . . . ?
O1_38 C1_38 C3_38 F5_38 -83.9(17) . . . . ?
C4_38 C1_38 C3_38 F5_38 160.4(15) . . . . ?
C2_38 C1_38 C3_38 F5_38 40.4(17) . . . . ?
O1_38 C1_38 C3_38 F4_38 38.6(18) . . . . ?
C4_38 C1_38 C3_38 F4_38 -77.1(17) . . . . ?
C2_38 C1_38 C3_38 F4_38 162.8(15) . . . . ?
O1_38 C1_38 C4_38 F8_38 171.9(18) . . . . ?
C2_38 C1_38 C4_38 F8_38 47.3(19) . . . . ?
C3_38 C1_38 C4_38 F8_38 -71.6(18) . . . . ?
O1_38 C1_38 C4_38 F9_38 46.1(19) . . . . ?
C2_38 C1_38 C4_38 F9_38 -78.6(18) . . . . ?
C3_38 C1_38 C4_38 F9_38 162.5(16) . . . . ?
O1_38 C1_38 C4_38 F7_38 -73.3(18) . . . . ?
C2_38 C1_38 C4_38 F7_38 162.1(16) . . . . ?
C3_38 C1_38 C4_38 F7_38 43.2(18) . . . . ?
Al3 O1_39 C1_39 C4_39 141(12) . . . . ?
Al3 O1_39 C1_39 C2_39 -93(12) . . . . ?
Al3 O1_39 C1_39 C3_39 22(13) . . . . ?
O1_39 C1_39 C2_39 F1_39 -99(2) . . . . ?
C4_39 C1_39 C2_39 F1_39 29(2) . . . . ?
C3_39 C1_39 C2_39 F1_39 144.8(18) . . . . ?
O1_39 C1_39 C2_39 F3_39 27(2) . . . . ?
C4_39 C1_39 C2_39 F3_39 154.6(18) . . . . ?
C3_39 C1_39 C2_39 F3_39 -89.4(18) . . . . ?
O1_39 C1_39 C2_39 F2_39 145(2) . . . . ?
C4_39 C1_39 C2_39 F2_39 -87.3(19) . . . . ?
C3_39 C1_39 C2_39 F2_39 28.7(19) . . . . ?
O1_39 C1_39 C3_39 F6_39 173(2) . . . . ?
C4_39 C1_39 C3_39 F6_39 50.5(19) . . . . ?
C2_39 C1_39 C3_39 F6_39 -66.9(19) . . . . ?
O1_39 C1_39 C3_39 F5_39 -69(2) . . . . ?
C4_39 C1_39 C3_39 F5_39 167.7(16) . . . . ?
C2_39 C1_39 C3_39 F5_39 50.4(18) . . . . ?
O1_39 C1_39 C3_39 F4_39 51(2) . . . . ?
C4_39 C1_39 C3_39 F4_39 -72.3(19) . . . . ?
C2_39 C1_39 C3_39 F4_39 170.4(18) . . . . ?
O1_39 C1_39 C4_39 F9_39 46(2) . . . . ?
C2_39 C1_39 C4_39 F9_39 -80.4(19) . . . . ?
C3_39 C1_39 C4_39 F9_39 165.5(17) . . . . ?
O1_39 C1_39 C4_39 F7_39 -78(2) . . . . ?
C2_39 C1_39 C4_39 F7_39 155.7(17) . . . . ?
C3_39 C1_39 C4_39 F7_39 41.5(19) . . . . ?
O1_39 C1_39 C4_39 F8_39 162(2) . . . . ?
C2_39 C1_39 C4_39 F8_39 35(2) . . . . ?
C3_39 C1_39 C4_39 F8_39 -78.8(19) . . . . ?
O1_46 Al7 O1_40 C1_40 164(4) . . . . ?
F27 Al7 O1_40 C1_40 56(5) . . . . ?
Al7 O1_40 C1_40 C4_40 114(4) . . . . ?
Al7 O1_40 C1_40 C2_40 -126(4) . . . . ?
Al7 O1_40 C1_40 C3_40 -7(5) . . . . ?
O1_40 C1_40 C2_40 F1_40 -78.2(18) . . . . ?
C4_40 C1_40 C2_40 F1_40 40.3(15) . . . . ?
C3_40 C1_40 C2_40 F1_40 161.7(13) . . . . ?
O1_40 C1_40 C2_40 F2_40 161(2) . . . . ?
C4_40 C1_40 C2_40 F2_40 -79.9(19) . . . . ?
C3_40 C1_40 C2_40 F2_40 41.4(19) . . . . ?
O1_40 C1_40 C2_40 F3_40 43(2) . . . . ?
C4_40 C1_40 C2_40 F3_40 161.6(16) . . . . ?
C3_40 C1_40 C2_40 F3_40 -77.0(16) . . . . ?
O1_40 C1_40 C3_40 F6_40 163(2) . . . . ?
C4_40 C1_40 C3_40 F6_40 42.6(17) . . . . ?
C2_40 C1_40 C3_40 F6_40 -79.1(16) . . . . ?
O1_40 C1_40 C3_40 F5_40 -75.9(19) . . . . ?
C4_40 C1_40 C3_40 F5_40 163.8(12) . . . . ?
C2_40 C1_40 C3_40 F5_40 42.1(14) . . . . ?
O1_40 C1_40 C3_40 F4_40 46(2) . . . . ?
C4_40 C1_40 C3_40 F4_40 -73.9(16) . . . . ?
C2_40 C1_40 C3_40 F4_40 164.4(15) . . . . ?
O1_40 C1_40 C4_40 F7_40 -80.3(19) . . . . ?
C2_40 C1_40 C4_40 F7_40 162.0(13) . . . . ?
C3_40 C1_40 C4_40 F7_40 41.1(15) . . . . ?
O1_40 C1_40 C4_40 F9_40 44(2) . . . . ?
C2_40 C1_40 C4_40 F9_40 -73.2(16) . . . . ?
C3_40 C1_40 C4_40 F9_40 165.9(14) . . . . ?
O1_40 C1_40 C4_40 F8_40 163.7(19) . . . . ?
C2_40 C1_40 C4_40 F8_40 46.0(16) . . . . ?
C3_40 C1_40 C4_40 F8_40 -74.9(16) . . . . ?
O1_59 Al6 O1_41 C1_41 153(4) . . . . ?
O1_48 Al6 O1_41 C1_41 24(4) . . . . ?
F28 Al6 O1_41 C1_41 -95(4) . . . . ?
Al6 O1_41 C1_41 C4_41 47(4) . . . . ?
Al6 O1_41 C1_41 C3_41 -77(4) . . . . ?
Al6 O1_41 C1_41 C2_41 166(3) . . . . ?
O1_41 C1_41 C2_41 F1_41 -76(2) . . . . ?
C4_41 C1_41 C2_41 F1_41 43.1(19) . . . . ?
C3_41 C1_41 C2_41 F1_41 161.3(17) . . . . ?
O1_41 C1_41 C2_41 F3_41 42(2) . . . . ?
C4_41 C1_41 C2_41 F3_41 161.4(17) . . . . ?
C3_41 C1_41 C2_41 F3_41 -80.4(18) . . . . ?
O1_41 C1_41 C2_41 F2_41 162(2) . . . . ?
C4_41 C1_41 C2_41 F2_41 -78.8(19) . . . . ?
C3_41 C1_41 C2_41 F2_41 39(2) . . . . ?
O1_41 C1_41 C3_41 F4_41 43(2) . . . . ?
C4_41 C1_41 C3_41 F4_41 -80.7(19) . . . . ?
C2_41 C1_41 C3_41 F4_41 162.1(18) . . . . ?
O1_41 C1_41 C3_41 F5_41 -72.8(19) . . . . ?
C4_41 C1_41 C3_41 F5_41 163.4(16) . . . . ?
C2_41 C1_41 C3_41 F5_41 46.2(18) . . . . ?
O1_41 C1_41 C3_41 F6_41 163.8(17) . . . . ?
C4_41 C1_41 C3_41 F6_41 40.0(18) . . . . ?
C2_41 C1_41 C3_41 F6_41 -77.2(17) . . . . ?
O1_41 C1_41 C4_41 F8_41 154(2) . . . . ?
C3_41 C1_41 C4_41 F8_41 -80(2) . . . . ?
C2_41 C1_41 C4_41 F8_41 35(2) . . . . ?
O1_41 C1_41 C4_41 F9_41 39(2) . . . . ?
C3_41 C1_41 C4_41 F9_41 165.5(17) . . . . ?
C2_41 C1_41 C4_41 F9_41 -80.0(18) . . . . ?
O1_41 C1_41 C4_41 F7_41 -85.6(18) . . . . ?
C3_41 C1_41 C4_41 F7_41 40.7(18) . . . . ?
C2_41 C1_41 C4_41 F7_41 155.1(16) . . . . ?
F8_41 C4_41 F9_41 F9_59 63(5) . . . 2_566 ?
F7_41 C4_41 F9_41 F9_59 -48(5) . . . 2_566 ?
C1_41 C4_41 F9_41 F9_59 -169(4) . . . 2_566 ?
C7_42 P1_42 C1_42 C6_42 -47.4(18) . . . . ?
C13_42 P1_42 C1_42 C6_42 -164.9(15) . . . . ?
Ga4 P1_42 C1_42 C6_42 86.1(16) . . . . ?
C7_42 P1_42 C1_42 C2_42 80.6(19) . . . . ?
C13_42 P1_42 C1_42 C2_42 -37(2) . . . . ?
Ga4 P1_42 C1_42 C2_42 -146.0(17) . . . . ?
C6_42 C1_42 C2_42 C3_42 -56(2) . . . . ?
P1_42 C1_42 C2_42 C3_42 175.9(19) . . . . ?
C1_42 C2_42 C3_42 C4_42 56(2) . . . . ?
C2_42 C3_42 C4_42 C5_42 -57(2) . . . . ?
C3_42 C4_42 C5_42 C6_42 56(2) . . . . ?
C2_42 C1_42 C6_42 C5_42 57(2) . . . . ?
P1_42 C1_42 C6_42 C5_42 -173.3(18) . . . . ?
C4_42 C5_42 C6_42 C1_42 -56(2) . . . . ?
C1_42 P1_42 C7_42 C12_42 155.4(14) . . . . ?
C13_42 P1_42 C7_42 C12_42 -84.9(16) . . . . ?
Ga4 P1_42 C7_42 C12_42 28.6(16) . . . . ?
C1_42 P1_42 C7_42 C8_42 -66.7(19) . . . . ?
C13_42 P1_42 C7_42 C8_42 52.9(19) . . . . ?
Ga4 P1_42 C7_42 C8_42 166.4(16) . . . . ?
C12_42 C7_42 C8_42 C9_42 -48(3) . . . . ?
P1_42 C7_42 C8_42 C9_42 172.8(17) . . . . ?
C7_42 C8_42 C9_42 C10_42 46(3) . . . . ?
C8_42 C9_42 C10_42 C11_42 -47(3) . . . . ?
C9_42 C10_42 C11_42 C12_42 48(3) . . . . ?
C8_42 C7_42 C12_42 C11_42 51(2) . . . . ?
P1_42 C7_42 C12_42 C11_42 -170.9(14) . . . . ?
C10_42 C11_42 C12_42 C7_42 -49(2) . . . . ?
C1_42 P1_42 C13_42 C14_42 -67.3(16) . . . . ?
C7_42 P1_42 C13_42 C14_42 172.6(12) . . . . ?
Ga4 P1_42 C13_42 C14_42 46.4(13) . . . . ?
P1_42 C13_42 C14_42 P2_42 -53.3(17) . . . . ?
C21_42 P2_42 C14_42 C13_42 -84.5(15) . . . . ?
C15_42 P2_42 C14_42 C13_42 155.6(14) . . . . ?
Ga4 P2_42 C14_42 C13_42 30.3(15) . . . . ?
C21_42 P2_42 C15_42 C16_42 169.6(15) . . . . ?
C14_42 P2_42 C15_42 C16_42 -71.6(17) . . . . ?
Ga4 P2_42 C15_42 C16_42 44.6(17) . . . . ?
C21_42 P2_42 C15_42 C20_42 -61.8(18) . . . . ?
C14_42 P2_42 C15_42 C20_42 57.0(18) . . . . ?
Ga4 P2_42 C15_42 C20_42 173.1(15) . . . . ?
C20_42 C15_42 C16_42 C17_42 53(2) . . . . ?
P2_42 C15_42 C16_42 C17_42 -177.3(17) . . . . ?
C15_42 C16_42 C17_42 C18_42 -55(2) . . . . ?
C16_42 C17_42 C18_42 C19_42 56(2) . . . . ?
C17_42 C18_42 C19_42 C20_42 -57(2) . . . . ?
C18_42 C19_42 C20_42 C15_42 54(2) . . . . ?
C16_42 C15_42 C20_42 C19_42 -52(2) . . . . ?
P2_42 C15_42 C20_42 C19_42 179.9(17) . . . . ?
C14_42 P2_42 C21_42 C22_42 -166.9(11) . . . . ?
C15_42 P2_42 C21_42 C22_42 -49.9(15) . . . . ?
Ga4 P2_42 C21_42 C22_42 80.8(11) . . . . ?
C14_42 P2_42 C21_42 C26_42 -39.0(12) . . . . ?
C15_42 P2_42 C21_42 C26_42 77.9(13) . . . . ?
Ga4 P2_42 C21_42 C26_42 -151.4(9) . . . . ?
C26_42 C21_42 C22_42 C23_42 57.2(16) . . . . ?
P2_42 C21_42 C22_42 C23_42 -171.9(12) . . . . ?
C21_42 C22_42 C23_42 C24_42 -57.2(18) . . . . ?
C22_42 C23_42 C24_42 C25_42 57.1(18) . . . . ?
C23_42 C24_42 C25_42 C26_42 -57.6(17) . . . . ?
C24_42 C25_42 C26_42 C21_42 56.4(15) . . . . ?
C22_42 C21_42 C26_42 C25_42 -55.9(14) . . . . ?
P2_42 C21_42 C26_42 C25_42 176.4(10) . . . . ?
C7_43 P1_43 C1_43 C2_43 55(3) . . . . ?
C13_43 P1_43 C1_43 C2_43 -67(3) . . . . ?
Ga6 P1_43 C1_43 C2_43 174(2) . . . . ?
C7_43 P1_43 C1_43 C6_43 -180(3) . . . . ?
C13_43 P1_43 C1_43 C6_43 59(3) . . . . ?
Ga6 P1_43 C1_43 C6_43 -60(3) . . . . ?
C6_43 C1_43 C2_43 C3_43 56(3) . . . . ?
P1_43 C1_43 C2_43 C3_43 -179(3) . . . . ?
C1_43 C2_43 C3_43 C4_43 -55(3) . . . . ?
C2_43 C3_43 C4_43 C5_43 53(3) . . . . ?
C3_43 C4_43 C5_43 C6_43 -53(3) . . . . ?
C2_43 C1_43 C6_43 C5_43 -56(3) . . . . ?
P1_43 C1_43 C6_43 C5_43 177(3) . . . . ?
C4_43 C5_43 C6_43 C1_43 54(3) . . . . ?
C13_43 P1_43 C7_43 C8_43 69(3) . . . . ?
C1_43 P1_43 C7_43 C8_43 -54(4) . . . . ?
Ga6 P1_43 C7_43 C8_43 174(3) . . . . ?
C13_43 P1_43 C7_43 C12_43 -77(3) . . . . ?
C1_43 P1_43 C7_43 C12_43 160(3) . . . . ?
Ga6 P1_43 C7_43 C12_43 27(3) . . . . ?
C12_43 C7_43 C8_43 C9_43 -53(3) . . . . ?
P1_43 C7_43 C8_43 C9_43 160(3) . . . . ?
C7_43 C8_43 C9_43 C10_43 51(3) . . . . ?
C8_43 C9_43 C10_43 C11_43 -52(4) . . . . ?
C9_43 C10_43 C11_43 C12_43 53(3) . . . . ?
C8_43 C7_43 C12_43 C11_43 54(3) . . . . ?
P1_43 C7_43 C12_43 C11_43 -157(3) . . . . ?
C10_43 C11_43 C12_43 C7_43 -53(3) . . . . ?
C7_43 P1_43 C13_43 C14_43 82(3) . . . . ?
C1_43 P1_43 C13_43 C14_43 -154(3) . . . . ?
Ga6 P1_43 C13_43 C14_43 -22(3) . . . . ?
P1_43 C13_43 C14_43 P2_43 48(4) . . . . ?
C21_43 P2_43 C14_43 C13_43 -167(3) . . . . ?
C15_43 P2_43 C14_43 C13_43 81(3) . . . . ?
Ga6 P2_43 C14_43 C13_43 -47(3) . . . . ?
C21_43 P2_43 C15_43 C16_43 136(3) . . . . ?
C14_43 P2_43 C15_43 C16_43 -115(3) . . . . ?
Ga6 P2_43 C15_43 C16_43 1(4) . . . . ?
C21_43 P2_43 C15_43 C20_43 -95(3) . . . . ?
C14_43 P2_43 C15_43 C20_43 15(4) . . . . ?
Ga6 P2_43 C15_43 C20_43 131(3) . . . . ?
C20_43 C15_43 C16_43 C17_43 57(3) . . . . ?
P2_43 C15_43 C16_43 C17_43 -173(3) . . . . ?
C15_43 C16_43 C17_43 C18_43 -55(3) . . . . ?
C16_43 C17_43 C18_43 C19_43 54(3) . . . . ?
C17_43 C18_43 C19_43 C20_43 -54(3) . . . . ?
C16_43 C15_43 C20_43 C19_43 -56(3) . . . . ?
P2_43 C15_43 C20_43 C19_43 172(3) . . . . ?
C18_43 C19_43 C20_43 C15_43 54(3) . . . . ?
C15_43 P2_43 C21_43 C22_43 -72(3) . . . . ?
C14_43 P2_43 C21_43 C22_43 179(3) . . . . ?
Ga6 P2_43 C21_43 C22_43 67(2) . . . . ?
C15_43 P2_43 C21_43 C26_43 56(3) . . . . ?
C14_43 P2_43 C21_43 C26_43 -53(3) . . . . ?
Ga6 P2_43 C21_43 C26_43 -165(2) . . . . ?
C26_43 C21_43 C22_43 C23_43 57(3) . . . . ?
P2_43 C21_43 C22_43 C23_43 -174(2) . . . . ?
C21_43 C22_43 C23_43 C24_43 -55(3) . . . . ?
C22_43 C23_43 C24_43 C25_43 54(3) . . . . ?
C23_43 C24_43 C25_43 C26_43 -54(3) . . . . ?
C22_43 C21_43 C26_43 C25_43 -57(3) . . . . ?
P2_43 C21_43 C26_43 C25_43 176(3) . . . . ?
C24_43 C25_43 C26_43 C21_43 54(3) . . . . ?
C7_44 P1_44 C1_44 C2_44 78(3) . . . . ?
C13_44 P1_44 C1_44 C2_44 -41(3) . . . . ?
Ga5 P1_44 C1_44 C2_44 -149(2) . . . . ?
C7_44 P1_44 C1_44 C6_44 -54(3) . . . . ?
C13_44 P1_44 C1_44 C6_44 -174(3) . . . . ?
Ga5 P1_44 C1_44 C6_44 78(2) . . . . ?
C6_44 C1_44 C2_44 C3_44 -51(4) . . . . ?
P1_44 C1_44 C2_44 C3_44 176(2) . . . . ?
C1_44 C2_44 C3_44 C4_44 58(4) . . . . ?
C2_44 C3_44 C4_44 C5_44 -7(5) . . . . ?
C3_44 C4_44 C5_44 C6_44 -50(4) . . . . ?
C2_44 C1_44 C6_44 C5_44 -6(4) . . . . ?
P1_44 C1_44 C6_44 C5_44 130(3) . . . . ?
C4_44 C5_44 C6_44 C1_44 58(3) . . . . ?
C1_44 P1_44 C7_44 C8_44 -67(3) . . . . ?
C13_44 P1_44 C7_44 C8_44 54(3) . . . . ?
Ga5 P1_44 C7_44 C8_44 175(3) . . . . ?
C1_44 P1_44 C7_44 C12_44 163(3) . . . . ?
C13_44 P1_44 C7_44 C12_44 -76(3) . . . . ?
Ga5 P1_44 C7_44 C12_44 44(3) . . . . ?
C12_44 C7_44 C8_44 C9_44 -55(3) . . . . ?
P1_44 C7_44 C8_44 C9_44 174(3) . . . . ?
C7_44 C8_44 C9_44 C10_44 54(3) . . . . ?
C8_44 C9_44 C10_44 C11_44 -54(3) . . . . ?
C9_44 C10_44 C11_44 C12_44 55(3) . . . . ?
C8_44 C7_44 C12_44 C11_44 56(3) . . . . ?
P1_44 C7_44 C12_44 C11_44 -172(3) . . . . ?
C8_44 C7_44 C12_44 F8 -126(4) . . . . ?
P1_44 C7_44 C12_44 F8 7(4) . . . . ?
C10_44 C11_44 C12_44 C7_44 -56(3) . . . . ?
C10_44 C11_44 C12_44 F8 127(5) . . . . ?
C7_44 P1_44 C13_44 C14_44 176(3) . . . . ?
C1_44 P1_44 C13_44 C14_44 -63(3) . . . . ?
Ga5 P1_44 C13_44 C14_44 43(3) . . . . ?
P1_44 C13_44 C14_44 P2_44 -51(4) . . . . ?
C21_44 P2_44 C14_44 C13_44 -88(3) . . . . ?
C15_44 P2_44 C14_44 C13_44 152(3) . . . . ?
Ga5 P2_44 C14_44 C13_44 31(3) . . . . ?
C21_44 P2_44 C15_44 C16_44 179(3) . . . . ?
C14_44 P2_44 C15_44 C16_44 -64(4) . . . . ?
Ga5 P2_44 C15_44 C16_44 49(3) . . . . ?
C21_44 P2_44 C15_44 C20_44 -54(3) . . . . ?
C14_44 P2_44 C15_44 C20_44 64(3) . . . . ?
Ga5 P2_44 C15_44 C20_44 176(3) . . . . ?
C20_44 C15_44 C16_44 C17_44 56(3) . . . . ?
P2_44 C15_44 C16_44 C17_44 -176(3) . . . . ?
C15_44 C16_44 C17_44 C18_44 -54(3) . . . . ?
C16_44 C17_44 C18_44 C19_44 54(3) . . . . ?
C17_44 C18_44 C19_44 C20_44 -55(3) . . . . ?
C16_44 C15_44 C20_44 C19_44 -56(3) . . . . ?
P2_44 C15_44 C20_44 C19_44 176(3) . . . . ?
C18_44 C19_44 C20_44 C15_44 55(3) . . . . ?
C14_44 P2_44 C21_44 C26_44 -37(4) . . . . ?
C15_44 P2_44 C21_44 C26_44 78(4) . . . . ?
Ga5 P2_44 C21_44 C26_44 -151(3) . . . . ?
C14_44 P2_44 C21_44 C22_44 -171(3) . . . . ?
C15_44 P2_44 C21_44 C22_44 -56(4) . . . . ?
Ga5 P2_44 C21_44 C22_44 76(3) . . . . ?
C26_44 C21_44 C22_44 C23_44 55(3) . . . . ?
P2_44 C21_44 C22_44 C23_44 -167(3) . . . . ?
C21_44 C22_44 C23_44 C24_44 -54(3) . . . . ?
C22_44 C23_44 C24_44 C25_44 54(3) . . . . ?
C23_44 C24_44 C25_44 C26_44 -54(3) . . . . ?
C22_44 C21_44 C26_44 C25_44 -55(3) . . . . ?
P2_44 C21_44 C26_44 C25_44 171(3) . . . . ?
C24_44 C25_44 C26_44 C21_44 54(3) . . . . ?
O1_35 Al1 O1_45 C1_45 -135(5) . . . . ?
O1_38 Al1 O1_45 C1_45 110(5) . . . . ?
O1_49 Al1 O1_45 C1_45 -25(6) . . . . ?
Al1 O1_45 C1_45 C4_45 162(5) . . . . ?
Al1 O1_45 C1_45 C2_45 39(6) . . . . ?
Al1 O1_45 C1_45 C3_45 -82(5) . . . . ?
O1_45 C1_45 C2_45 F2_45 157(2) . . . . ?
C4_45 C1_45 C2_45 F2_45 33.9(18) . . . . ?
C3_45 C1_45 C2_45 F2_45 -81.3(17) . . . . ?
O1_45 C1_45 C2_45 F3_45 -83(2) . . . . ?
C4_45 C1_45 C2_45 F3_45 153.1(18) . . . . ?
C3_45 C1_45 C2_45 F3_45 38(2) . . . . ?
O1_45 C1_45 C2_45 F1_45 38(2) . . . . ?
C4_45 C1_45 C2_45 F1_45 -85.1(16) . . . . ?
C3_45 C1_45 C2_45 F1_45 159.6(14) . . . . ?
O1_45 C1_45 C3_45 F5_45 47(2) . . . . ?
C4_45 C1_45 C3_45 F5_45 165.9(15) . . . . ?
C2_45 C1_45 C3_45 F5_45 -76.8(16) . . . . ?
O1_45 C1_45 C3_45 F6_45 162.7(19) . . . . ?
C4_45 C1_45 C3_45 F6_45 -78.1(17) . . . . ?
C2_45 C1_45 C3_45 F6_45 39.2(17) . . . . ?
O1_45 C1_45 C3_45 F4_45 -79(2) . . . . ?
C4_45 C1_45 C3_45 F4_45 40.0(17) . . . . ?
C2_45 C1_45 C3_45 F4_45 157.3(14) . . . . ?
O1_45 C1_45 C4_45 F9_45 -83(2) . . . . ?
C2_45 C1_45 C4_45 F9_45 42(2) . . . . ?
C3_45 C1_45 C4_45 F9_45 158.5(18) . . . . ?
O1_45 C1_45 C4_45 F7_45 43(2) . . . . ?
C2_45 C1_45 C4_45 F7_45 168.1(16) . . . . ?
C3_45 C1_45 C4_45 F7_45 -74.9(17) . . . . ?
O1_45 C1_45 C4_45 F8_45 156.7(19) . . . . ?
C2_45 C1_45 C4_45 F8_45 -78.6(17) . . . . ?
C3_45 C1_45 C4_45 F8_45 38.4(17) . . . . ?
O1_40 Al7 O1_46 C1_46 9(5) . . . . ?
F27 Al7 O1_46 C1_46 124(5) . . . . ?
Al7 O1_46 C1_46 C3_46 155(4) . . . . ?
Al7 O1_46 C1_46 C4_46 -86(5) . . . . ?
Al7 O1_46 C1_46 C2_46 35(5) . . . . ?
O1_46 C1_46 C2_46 F2_46 165(2) . . . . ?
C3_46 C1_46 C2_46 F2_46 46(2) . . . . ?
C4_46 C1_46 C2_46 F2_46 -72.7(19) . . . . ?
O1_46 C1_46 C2_46 F3_46 45(2) . . . . ?
C3_46 C1_46 C2_46 F3_46 -74.4(18) . . . . ?
C4_46 C1_46 C2_46 F3_46 167.0(16) . . . . ?
O1_46 C1_46 C2_46 F1_46 -76.7(19) . . . . ?
C3_46 C1_46 C2_46 F1_46 164.1(15) . . . . ?
C4_46 C1_46 C2_46 F1_46 45.5(17) . . . . ?
O1_46 C1_46 C3_46 F6_46 165(2) . . . . ?
C4_46 C1_46 C3_46 F6_46 44(2) . . . . ?
C2_46 C1_46 C3_46 F6_46 -74(2) . . . . ?
O1_46 C1_46 C3_46 F4_46 47(2) . . . . ?
C4_46 C1_46 C3_46 F4_46 -73.5(18) . . . . ?
C2_46 C1_46 C3_46 F4_46 168.1(17) . . . . ?
O1_46 C1_46 C3_46 F5_46 -74(2) . . . . ?
C4_46 C1_46 C3_46 F5_46 165.4(15) . . . . ?
C2_46 C1_46 C3_46 F5_46 47.0(17) . . . . ?
O1_46 C1_46 C4_46 F9_46 51(2) . . . . ?
C3_46 C1_46 C4_46 F9_46 169.4(15) . . . . ?
C2_46 C1_46 C4_46 F9_46 -71.8(17) . . . . ?
O1_46 C1_46 C4_46 F7_46 -74(2) . . . . ?
C3_46 C1_46 C4_46 F7_46 45.1(18) . . . . ?
C2_46 C1_46 C4_46 F7_46 163.9(16) . . . . ?
O1_46 C1_46 C4_46 F8_46 168(2) . . . . ?
C3_46 C1_46 C4_46 F8_46 -72.7(19) . . . . ?
C2_46 C1_46 C4_46 F8_46 46(2) . . . . ?
O1_34 Al4 O1_47 C1_47 32.6(18) . . . . ?
O1_33 Al4 O1_47 C1_47 143.4(16) . . . . ?
Al4 O1_47 C1_47 C4_47 21(2) . . . . ?
Al4 O1_47 C1_47 C3_47 -100.4(16) . . . . ?
Al4 O1_47 C1_47 C2_47 139.7(14) . . . . ?
O1_47 C1_47 C2_47 F1_47 -79.1(12) . . . . ?
C4_47 C1_47 C2_47 F1_47 41.8(12) . . . . ?
C3_47 C1_47 C2_47 F1_47 161.2(10) . . . . ?
O1_47 C1_47 C2_47 F2_47 163.1(11) . . . . ?
C4_47 C1_47 C2_47 F2_47 -76.0(12) . . . . ?
C3_47 C1_47 C2_47 F2_47 43.4(13) . . . . ?
O1_47 C1_47 C2_47 F3_47 45.6(13) . . . . ?
C4_47 C1_47 C2_47 F3_47 166.5(10) . . . . ?
C3_47 C1_47 C2_47 F3_47 -74.1(12) . . . . ?
O1_47 C1_47 C3_47 F6_47 161.6(12) . . . . ?
C4_47 C1_47 C3_47 F6_47 39.2(14) . . . . ?
C2_47 C1_47 C3_47 F6_47 -79.3(13) . . . . ?
O1_47 C1_47 C3_47 F5_47 -73.1(12) . . . . ?
C4_47 C1_47 C3_47 F5_47 164.4(10) . . . . ?
C2_47 C1_47 C3_47 F5_47 45.9(13) . . . . ?
O1_47 C1_47 C3_47 F4_47 44.4(13) . . . . ?
C4_47 C1_47 C3_47 F4_47 -78.1(12) . . . . ?
C2_47 C1_47 C3_47 F4_47 163.4(10) . . . . ?
O1_47 C1_47 C4_47 F9_47 41.7(12) . . . . ?
C3_47 C1_47 C4_47 F9_47 163.0(9) . . . . ?
C2_47 C1_47 C4_47 F9_47 -77.4(11) . . . . ?
O1_47 C1_47 C4_47 F7_47 -79.0(11) . . . . ?
C3_47 C1_47 C4_47 F7_47 42.3(12) . . . . ?
C2_47 C1_47 C4_47 F7_47 161.9(9) . . . . ?
O1_47 C1_47 C4_47 F8_47 162.0(10) . . . . ?
C3_47 C1_47 C4_47 F8_47 -76.6(11) . . . . ?
C2_47 C1_47 C4_47 F8_47 42.9(12) . . . . ?
O1_59 Al6 O1_48 C1_48 85(4) . . . . ?
O1_41 Al6 O1_48 C1_48 -166(3) . . . . ?
F28 Al6 O1_48 C1_48 -47(4) . . . . ?
Al6 O1_48 C1_48 C4_48 -126(4) . . . . ?
Al6 O1_48 C1_48 C2_48 0(4) . . . . ?
Al6 O1_48 C1_48 C3_48 117(4) . . . . ?
O1_48 C1_48 C2_48 F2_48 -163.0(16) . . . . ?
C4_48 C1_48 C2_48 F2_48 -40.0(18) . . . . ?
C3_48 C1_48 C2_48 F2_48 80.4(16) . . . . ?
O1_48 C1_48 C2_48 F3_48 75.5(16) . . . . ?
C4_48 C1_48 C2_48 F3_48 -161.5(13) . . . . ?
C3_48 C1_48 C2_48 F3_48 -41.1(15) . . . . ?
O1_48 C1_48 C2_48 F1_48 -46.9(18) . . . . ?
C4_48 C1_48 C2_48 F1_48 76.1(17) . . . . ?
C3_48 C1_48 C2_48 F1_48 -163.5(15) . . . . ?
O1_48 C1_48 C3_48 F6_48 -150.2(16) . . . . ?
C4_48 C1_48 C3_48 F6_48 91.7(16) . . . . ?
C2_48 C1_48 C3_48 F6_48 -32.4(17) . . . . ?
O1_48 C1_48 C3_48 F4_48 76.5(16) . . . . ?
C4_48 C1_48 C3_48 F4_48 -41.6(15) . . . . ?
C2_48 C1_48 C3_48 F4_48 -165.7(13) . . . . ?
O1_48 C1_48 C3_48 F5_48 -43.4(16) . . . . ?
C4_48 C1_48 C3_48 F5_48 -161.6(13) . . . . ?
C2_48 C1_48 C3_48 F5_48 74.3(14) . . . . ?
O1_48 C1_48 C4_48 F9_48 85.0(16) . . . . ?
C2_48 C1_48 C4_48 F9_48 -38.0(17) . . . . ?
C3_48 C1_48 C4_48 F9_48 -158.2(14) . . . . ?
O1_48 C1_48 C4_48 F7_48 -41.4(17) . . . . ?
C2_48 C1_48 C4_48 F7_48 -164.4(13) . . . . ?
C3_48 C1_48 C4_48 F7_48 75.4(15) . . . . ?
O1_48 C1_48 C4_48 F8_48 -155.2(16) . . . . ?
C2_48 C1_48 C4_48 F8_48 81.9(17) . . . . ?
C3_48 C1_48 C4_48 F8_48 -38.3(17) . . . . ?
O1_35 Al1 O1_49 C1_49 -135(4) . . . . ?
O1_38 Al1 O1_49 C1_49 1(4) . . . . ?
O1_45 Al1 O1_49 C1_49 120(4) . . . . ?
Al1 O1_49 C1_49 C4_49 -85(4) . . . . ?
Al1 O1_49 C1_49 C2_49 32(4) . . . . ?
Al1 O1_49 C1_49 C3_49 154(3) . . . . ?
O1_49 C1_49 C2_49 F3_49 39(2) . . . . ?
C4_49 C1_49 C2_49 F3_49 156.9(17) . . . . ?
C3_49 C1_49 C2_49 F3_49 -84.2(18) . . . . ?
O1_49 C1_49 C2_49 F2_49 157.2(18) . . . . ?
C4_49 C1_49 C2_49 F2_49 -84.6(17) . . . . ?
C3_49 C1_49 C2_49 F2_49 34.2(18) . . . . ?
O1_49 C1_49 C2_49 F1_49 -80.1(18) . . . . ?
C4_49 C1_49 C2_49 F1_49 38.0(17) . . . . ?
C3_49 C1_49 C2_49 F1_49 156.9(15) . . . . ?
O1_49 C1_49 C3_49 F4_49 41.8(19) . . . . ?
C4_49 C1_49 C3_49 F4_49 -78.1(17) . . . . ?
C2_49 C1_49 C3_49 F4_49 165.0(15) . . . . ?
O1_49 C1_49 C3_49 F5_49 -79.5(19) . . . . ?
C4_49 C1_49 C3_49 F5_49 160.6(16) . . . . ?
C2_49 C1_49 C3_49 F5_49 43.8(18) . . . . ?
O1_49 C1_49 C3_49 F6_49 158.3(16) . . . . ?
C4_49 C1_49 C3_49 F6_49 38.4(17) . . . . ?
C2_49 C1_49 C3_49 F6_49 -78.4(16) . . . . ?
O1_49 C1_49 C4_49 F7_49 -71.5(18) . . . . ?
C2_49 C1_49 C4_49 F7_49 168.2(15) . . . . ?
C3_49 C1_49 C4_49 F7_49 50.0(18) . . . . ?
O1_49 C1_49 C4_49 F8_49 167.1(17) . . . . ?
C2_49 C1_49 C4_49 F8_49 46.9(18) . . . . ?
C3_49 C1_49 C4_49 F8_49 -71.4(18) . . . . ?
O1_49 C1_49 C4_49 F9_49 45.3(19) . . . . ?
C2_49 C1_49 C4_49 F9_49 -75.0(17) . . . . ?
C3_49 C1_49 C4_49 F9_49 166.8(15) . . . . ?
C1_50 P1 C1_28 C2_28 -137.7(5) . . . . ?
C19 P1 C1_28 C2_28 -24.5(6) . . . . ?
Ga3 P1 C1_28 C2_28 94.4(6) . . . . ?
C1_50 P1 C1_28 C6_28 96.5(6) . . . . ?
C19 P1 C1_28 C6_28 -150.2(5) . . . . ?
Ga3 P1 C1_28 C6_28 -31.4(7) . . . . ?
C6_28 C1_28 C2_28 C3_28 -55.3(9) . . . . ?
P1 C1_28 C2_28 C3_28 -179.8(6) . . . . ?
C1_28 C2_28 C3_28 C4_28 56.9(10) . . . . ?
C2_28 C3_28 C4_28 C5_28 -57.3(11) . . . . ?
C3_28 C4_28 C5_28 C6_28 56.4(11) . . . . ?
C4_28 C5_28 C6_28 C1_28 -55.0(10) . . . . ?
C2_28 C1_28 C6_28 C5_28 54.6(9) . . . . ?
P1 C1_28 C6_28 C5_28 -178.9(6) . . . . ?
C1_28 P1 C1_50 C2_50 66.7(5) . . . . ?
C19 P1 C1_50 C2_50 -47.2(5) . . . . ?
Ga3 P1 C1_50 C2_50 -155.1(4) . . . . ?
C1_28 P1 C1_50 C6_50 -58.6(5) . . . . ?
C19 P1 C1_50 C6_50 -172.5(4) . . . . ?
Ga3 P1 C1_50 C6_50 79.6(4) . . . . ?
C6_50 C1_50 C2_50 C3_50 -56.5(7) . . . . ?
P1 C1_50 C2_50 C3_50 178.4(5) . . . . ?
C1_50 C2_50 C3_50 C4_50 56.5(8) . . . . ?
C2_50 C3_50 C4_50 C5_50 -55.5(8) . . . . ?
C3_50 C4_50 C5_50 C6_50 55.0(8) . . . . ?
C4_50 C5_50 C6_50 C1_50 -55.3(8) . . . . ?
C2_50 C1_50 C6_50 C5_50 56.2(7) . . . . ?
P1 C1_50 C6_50 C5_50 -175.8(4) . . . . ?
C20 P2 C1_51 C6_51 -98.3(7) . . . . ?
C1_52 P2 C1_51 C6_51 147.7(6) . . . . ?
Ga3 P2 C1_51 C6_51 20.8(7) . . . . ?
C20 P2 C1_51 C2_51 27.6(7) . . . . ?
C1_52 P2 C1_51 C2_51 -86.4(7) . . . . ?
Ga3 P2 C1_51 C2_51 146.7(5) . . . . ?
C6_51 C1_51 C2_51 C3_51 -57.6(10) . . . . ?
P2 C1_51 C2_51 C3_51 174.7(6) . . . . ?
C1_51 C2_51 C3_51 C4_51 57.3(10) . . . . ?
C2_51 C3_51 C4_51 C5_51 -56.9(11) . . . . ?
C3_51 C4_51 C5_51 C6_51 57.3(11) . . . . ?
C2_51 C1_51 C6_51 C5_51 58.9(10) . . . . ?
P2 C1_51 C6_51 C5_51 -173.9(6) . . . . ?
C4_51 C5_51 C6_51 C1_51 -58.4(11) . . . . ?
C20 P2 C1_52 C6_52 170.0(5) . . . . ?
C1_51 P2 C1_52 C6_52 -74.1(5) . . . . ?
Ga3 P2 C1_52 C6_52 56.9(5) . . . . ?
C20 P2 C1_52 C2_52 -64.2(5) . . . . ?
C1_51 P2 C1_52 C2_52 51.7(5) . . . . ?
Ga3 P2 C1_52 C2_52 -177.3(4) . . . . ?
C6_52 C1_52 C2_52 C3_52 -57.1(7) . . . . ?
P2 C1_52 C2_52 C3_52 177.4(5) . . . . ?
C1_52 C2_52 C3_52 C4_52 58.0(8) . . . . ?
C2_52 C3_52 C4_52 C5_52 -58.7(8) . . . . ?
C3_52 C4_52 C5_52 C6_52 57.9(8) . . . . ?
C4_52 C5_52 C6_52 C1_52 -56.7(8) . . . . ?
C2_52 C1_52 C6_52 C5_52 56.8(8) . . . . ?
P2 C1_52 C6_52 C5_52 -175.6(5) . . . . ?
C20 P2 C1_53 C2_53 -59(3) . . . . ?
Ga3 P2 C1_53 C2_53 50(3) . . . . ?
C20 P2 C1_53 C6_53 172(2) . . . . ?
Ga3 P2 C1_53 C6_53 -79(2) . . . . ?
C6_53 C1_53 C2_53 C3_53 -60(3) . . . . ?
P2 C1_53 C2_53 C3_53 170(3) . . . . ?
C1_53 C2_53 C3_53 C4_53 57(4) . . . . ?
C2_53 C3_53 C4_53 C5_53 -58(4) . . . . ?
C3_53 C4_53 C5_53 C6_53 60(4) . . . . ?
C2_53 C1_53 C6_53 C5_53 61(3) . . . . ?
P2 C1_53 C6_53 C5_53 -167(3) . . . . ?
C4_53 C5_53 C6_53 C1_53 -61(4) . . . . ?
C19 P1 C1_54 C6_54 -73(2) . . . . ?
Ga3 P1 C1_54 C6_54 46(2) . . . . ?
C19 P1 C1_54 C2_54 54(2) . . . . ?
Ga3 P1 C1_54 C2_54 172.1(18) . . . . ?
C6_54 C1_54 C2_54 C3_54 -51(3) . . . . ?
P1 C1_54 C2_54 C3_54 180(2) . . . . ?
C1_54 C2_54 C3_54 C4_54 53(4) . . . . ?
C2_54 C3_54 C4_54 C5_54 -54(4) . . . . ?
C3_54 C4_54 C5_54 C6_54 57(4) . . . . ?
C2_54 C1_54 C6_54 C5_54 52(3) . . . . ?
P1 C1_54 C6_54 C5_54 -179(2) . . . . ?
C4_54 C5_54 C6_54 C1_54 -58(4) . . . . ?
Al1 O1_55 C1_55 C2_55 -107(3) . . . . ?
Al1 O1_55 C1_55 C4_55 131(3) . . . . ?
Al1 O1_55 C1_55 C3_55 11(4) . . . . ?
O1_55 C1_55 C2_55 F3_55 -169.0(18) . . . . ?
C4_55 C1_55 C2_55 F3_55 -49.2(18) . . . . ?
C3_55 C1_55 C2_55 F3_55 68.7(17) . . . . ?
O1_55 C1_55 C2_55 F1_55 -46.1(19) . . . . ?
C4_55 C1_55 C2_55 F1_55 73.6(16) . . . . ?
C3_55 C1_55 C2_55 F1_55 -168.4(15) . . . . ?
O1_55 C1_55 C2_55 F2_55 73.7(19) . . . . ?
C4_55 C1_55 C2_55 F2_55 -166.5(15) . . . . ?
C3_55 C1_55 C2_55 F2_55 -48.6(17) . . . . ?
O1_55 C1_55 C3_55 F4_55 79.0(18) . . . . ?
C2_55 C1_55 C3_55 F4_55 -162.4(14) . . . . ?
C4_55 C1_55 C3_55 F4_55 -42.1(17) . . . . ?
O1_55 C1_55 C3_55 F6_55 -158.7(17) . . . . ?
C2_55 C1_55 C3_55 F6_55 -40.0(16) . . . . ?
C4_55 C1_55 C3_55 F6_55 80.2(16) . . . . ?
O1_55 C1_55 C3_55 F5_55 -42.8(18) . . . . ?
C2_55 C1_55 C3_55 F5_55 75.8(15) . . . . ?
C4_55 C1_55 C3_55 F5_55 -163.9(13) . . . . ?
O1_55 C1_55 C4_55 F9_55 70.2(19) . . . . ?
C2_55 C1_55 C4_55 F9_55 -48.8(18) . . . . ?
C3_55 C1_55 C4_55 F9_55 -165.9(15) . . . . ?
O1_55 C1_55 C4_55 F7_55 -52.5(19) . . . . ?
C2_55 C1_55 C4_55 F7_55 -171.5(16) . . . . ?
C3_55 C1_55 C4_55 F7_55 71.4(17) . . . . ?
O1_55 C1_55 C4_55 F8_55 -168.3(16) . . . . ?
C2_55 C1_55 C4_55 F8_55 72.7(17) . . . . ?
C3_55 C1_55 C4_55 F8_55 -44.5(17) . . . . ?
Al2 O1_56 C1_56 C4_56 23(6) . . . . ?
Al2 O1_56 C1_56 C2_56 144(5) . . . . ?
Al2 O1_56 C1_56 C3_56 -98(6) . . . . ?
O1_56 C1_56 C2_56 F2_56 165(3) . . . . ?
C4_56 C1_56 C2_56 F2_56 -74(2) . . . . ?
C3_56 C1_56 C2_56 F2_56 47(2) . . . . ?
O1_56 C1_56 C2_56 F1_56 -74(2) . . . . ?
C4_56 C1_56 C2_56 F1_56 46(2) . . . . ?
C3_56 C1_56 C2_56 F1_56 167.9(18) . . . . ?
O1_56 C1_56 C2_56 F3_56 45(3) . . . . ?
C4_56 C1_56 C2_56 F3_56 166(2) . . . . ?
C3_56 C1_56 C2_56 F3_56 -72(2) . . . . ?
O1_56 C1_56 C3_56 F5_56 -77(2) . . . . ?
C4_56 C1_56 C3_56 F5_56 161.7(19) . . . . ?
C2_56 C1_56 C3_56 F5_56 40(2) . . . . ?
O1_56 C1_56 C3_56 F4_56 43(3) . . . . ?
C4_56 C1_56 C3_56 F4_56 -78(2) . . . . ?
C2_56 C1_56 C3_56 F4_56 160(2) . . . . ?
O1_56 C1_56 C3_56 F6_56 162(3) . . . . ?
C4_56 C1_56 C3_56 F6_56 41(2) . . . . ?
C2_56 C1_56 C3_56 F6_56 -81(2) . . . . ?
O1_56 C1_56 C4_56 F8_56 158(3) . . . . ?
C2_56 C1_56 C4_56 F8_56 39(2) . . . . ?
C3_56 C1_56 C4_56 F8_56 -82(2) . . . . ?
O1_56 C1_56 C4_56 F7_56 -81(2) . . . . ?
C2_56 C1_56 C4_56 F7_56 159.5(19) . . . . ?
C3_56 C1_56 C4_56 F7_56 39(2) . . . . ?
O1_56 C1_56 C4_56 F9_56 38(3) . . . . ?
C2_56 C1_56 C4_56 F9_56 -81(2) . . . . ?
C3_56 C1_56 C4_56 F9_56 158(2) . . . . ?
O1_60 Al5 O1_57 C1_57 42(4) . . . . ?
Al5 O1_57 C1_57 C3_57 -39(4) . . . . ?
Al5 O1_57 C1_57 C4_57 85(4) . . . . ?
Al5 O1_57 C1_57 C2_57 -156(3) . . . . ?
O1_57 C1_57 C2_57 F2_57 -162.1(18) . . . . ?
C3_57 C1_57 C2_57 F2_57 78.1(18) . . . . ?
C4_57 C1_57 C2_57 F2_57 -42.5(19) . . . . ?
O1_57 C1_57 C2_57 F3_57 75(2) . . . . ?
C3_57 C1_57 C2_57 F3_57 -45(2) . . . . ?
C4_57 C1_57 C2_57 F3_57 -165.3(19) . . . . ?
O1_57 C1_57 C2_57 F1_57 -42.7(19) . . . . ?
C3_57 C1_57 C2_57 F1_57 -162.5(16) . . . . ?
C4_57 C1_57 C2_57 F1_57 76.9(17) . . . . ?
O1_57 C1_57 C3_57 F6_57 -164.4(19) . . . . ?
C4_57 C1_57 C3_57 F6_57 72.7(19) . . . . ?
C2_57 C1_57 C3_57 F6_57 -44.8(19) . . . . ?
O1_57 C1_57 C3_57 F4_57 72(2) . . . . ?
C4_57 C1_57 C3_57 F4_57 -50.5(19) . . . . ?
C2_57 C1_57 C3_57 F4_57 -168.0(17) . . . . ?
O1_57 C1_57 C3_57 F5_57 -45(2) . . . . ?
C4_57 C1_57 C3_57 F5_57 -167.4(17) . . . . ?
C2_57 C1_57 C3_57 F5_57 75.1(18) . . . . ?
F6_57 C3_57 F4_57 F4_60 156(3) . . . . ?
F5_57 C3_57 F4_57 F4_60 40(4) . . . . ?
C1_57 C3_57 F4_57 F4_60 -80(4) . . . . ?
O1_57 C1_57 C4_57 F8_57 -166.5(18) . . . . ?
C3_57 C1_57 C4_57 F8_57 -43.5(19) . . . . ?
C2_57 C1_57 C4_57 F8_57 73.7(18) . . . . ?
O1_57 C1_57 C4_57 F7_57 -45(2) . . . . ?
C3_57 C1_57 C4_57 F7_57 78.5(18) . . . . ?
C2_57 C1_57 C4_57 F7_57 -164.3(16) . . . . ?
O1_57 C1_57 C4_57 F9_57 73.4(17) . . . . ?
C3_57 C1_57 C4_57 F9_57 -163.6(15) . . . . ?
C2_57 C1_57 C4_57 F9_57 -46.4(16) . . . . ?
O1_37 Al2 O1_58 C1_58 -51(3) . . . . ?
Al2 O1_58 C1_58 C2_58 -45(3) . . . . ?
Al2 O1_58 C1_58 C3_58 76(3) . . . . ?
Al2 O1_58 C1_58 C4_58 -166(3) . . . . ?
O1_58 C1_58 C2_58 F1_58 -75.8(17) . . . . ?
C3_58 C1_58 C2_58 F1_58 163.9(15) . . . . ?
C4_58 C1_58 C2_58 F1_58 43.4(17) . . . . ?
O1_58 C1_58 C2_58 F2_58 164.0(18) . . . . ?
C3_58 C1_58 C2_58 F2_58 43.7(19) . . . . ?
C4_58 C1_58 C2_58 F2_58 -76.9(19) . . . . ?
O1_58 C1_58 C2_58 F3_58 42.7(19) . . . . ?
C3_58 C1_58 C2_58 F3_58 -77.6(17) . . . . ?
C4_58 C1_58 C2_58 F3_58 161.9(15) . . . . ?
O1_58 C1_58 C3_58 F5_58 -76.8(16) . . . . ?
C2_58 C1_58 C3_58 F5_58 43.8(17) . . . . ?
C4_58 C1_58 C3_58 F5_58 165.5(14) . . . . ?
O1_58 C1_58 C3_58 F4_58 43.4(18) . . . . ?
C2_58 C1_58 C3_58 F4_58 164.1(15) . . . . ?
C4_58 C1_58 C3_58 F4_58 -74.3(17) . . . . ?
O1_58 C1_58 C3_58 F6_58 163.8(15) . . . . ?
C2_58 C1_58 C3_58 F6_58 -75.6(16) . . . . ?
C4_58 C1_58 C3_58 F6_58 46.1(17) . . . . ?
O1_58 C1_58 C4_58 F9_58 43.5(17) . . . . ?
C2_58 C1_58 C4_58 F9_58 -76.8(16) . . . . ?
C3_58 C1_58 C4_58 F9_58 162.0(14) . . . . ?
O1_58 C1_58 C4_58 F8_58 163.3(15) . . . . ?
C2_58 C1_58 C4_58 F8_58 43.0(17) . . . . ?
C3_58 C1_58 C4_58 F8_58 -78.2(16) . . . . ?
O1_58 C1_58 C4_58 F7_58 -76.3(16) . . . . ?
C2_58 C1_58 C4_58 F7_58 163.4(14) . . . . ?
C3_58 C1_58 C4_58 F7_58 42.2(16) . . . . ?
O1_48 Al6 O1_59 C1_59 -48(6) . . . . ?
O1_41 Al6 O1_59 C1_59 -167(6) . . . . ?
F28 Al6 O1_59 C1_59 83(6) . . . . ?
Al6 O1_59 C1_59 C3_59 -173(5) . . . . ?
Al6 O1_59 C1_59 C2_59 65(6) . . . . ?
Al6 O1_59 C1_59 C4_59 -53(6) . . . . ?
O1_59 C1_59 C2_59 F2_59 164(2) . . . . ?
C3_59 C1_59 C2_59 F2_59 41(2) . . . . ?
C4_59 C1_59 C2_59 F2_59 -76(2) . . . . ?
O1_59 C1_59 C2_59 F1_59 -78(3) . . . . ?
C3_59 C1_59 C2_59 F1_59 159(2) . . . . ?
C4_59 C1_59 C2_59 F1_59 42(2) . . . . ?
O1_59 C1_59 C2_59 F3_59 47(2) . . . . ?
C3_59 C1_59 C2_59 F3_59 -76(2) . . . . ?
C4_59 C1_59 C2_59 F3_59 167(2) . . . . ?
O1_59 C1_59 C3_59 F4_59 59(3) . . . . ?
C2_59 C1_59 C3_59 F4_59 -179(2) . . . . ?
C4_59 C1_59 C3_59 F4_59 -63(2) . . . . ?
O1_59 C1_59 C3_59 F6_59 176(2) . . . . ?
C2_59 C1_59 C3_59 F6_59 -62(2) . . . . ?
C4_59 C1_59 C3_59 F6_59 55(2) . . . . ?
O1_59 C1_59 C3_59 F5_59 -65(3) . . . . ?
C2_59 C1_59 C3_59 F5_59 57(2) . . . . ?
C4_59 C1_59 C3_59 F5_59 173(2) . . . . ?
O1_59 C1_59 C4_59 F7_59 -76(2) . . . . ?
C3_59 C1_59 C4_59 F7_59 47(2) . . . . ?
C2_59 C1_59 C4_59 F7_59 165.3(19) . . . . ?
O1_59 C1_59 C4_59 F9_59 45(3) . . . . ?
C3_59 C1_59 C4_59 F9_59 167(2) . . . . ?
C2_59 C1_59 C4_59 F9_59 -74(2) . . . . ?
O1_59 C1_59 C4_59 F8_59 165(2) . . . . ?
C3_59 C1_59 C4_59 F8_59 -72(2) . . . . ?
C2_59 C1_59 C4_59 F8_59 46(2) . . . . ?
F7_59 C4_59 F9_59 F9_41 -11(3) . . . 2_566 ?
F8_59 C4_59 F9_59 F9_41 106(3) . . . 2_566 ?
C1_59 C4_59 F9_59 F9_41 -134(3) . . . 2_566 ?
O1_57 Al5 O1_60 C1_60 -133(3) . . . . ?
Al5 O1_60 C1_60 C2_60 -39(3) . . . . ?
Al5 O1_60 C1_60 C4_60 -159(2) . . . . ?
Al5 O1_60 C1_60 C3_60 82(3) . . . . ?
O1_60 C1_60 C2_60 F3_60 78(3) . . . . ?
C4_60 C1_60 C2_60 F3_60 -161(2) . . . . ?
C3_60 C1_60 C2_60 F3_60 -41(2) . . . . ?
O1_60 C1_60 C2_60 F1_60 -47(3) . . . . ?
C4_60 C1_60 C2_60 F1_60 75(2) . . . . ?
C3_60 C1_60 C2_60 F1_60 -166(2) . . . . ?
O1_60 C1_60 C2_60 F2_60 -166(2) . . . . ?
C4_60 C1_60 C2_60 F2_60 -45(2) . . . . ?
C3_60 C1_60 C2_60 F2_60 74(2) . . . . ?
O1_60 C1_60 C3_60 F6_60 145(3) . . . . ?
C2_60 C1_60 C3_60 F6_60 -93(2) . . . . ?
C4_60 C1_60 C3_60 F6_60 26(2) . . . . ?
O1_60 C1_60 C3_60 F5_60 -91(3) . . . . ?
C2_60 C1_60 C3_60 F5_60 31(2) . . . . ?
C4_60 C1_60 C3_60 F5_60 149(2) . . . . ?
O1_60 C1_60 C3_60 F4_60 30(3) . . . . ?
C2_60 C1_60 C3_60 F4_60 152(2) . . . . ?
C4_60 C1_60 C3_60 F4_60 -89(2) . . . . ?
F6_60 C3_60 F4_60 F4_57 175(8) . . . . ?
F5_60 C3_60 F4_60 F4_57 54(9) . . . . ?
C1_60 C3_60 F4_60 F4_57 -67(9) . . . . ?
C3_57 F4_57 F4_60 C3_60 56(10) . . . . ?
O1_60 C1_60 C4_60 F8_60 179(3) . . . . ?
C2_60 C1_60 C4_60 F8_60 57(2) . . . . ?
C3_60 C1_60 C4_60 F8_60 -63(2) . . . . ?
O1_60 C1_60 C4_60 F7_60 -57(3) . . . . ?
C2_60 C1_60 C4_60 F7_60 -180(2) . . . . ?
C3_60 C1_60 C4_60 F7_60 60(2) . . . . ?
O1_60 C1_60 C4_60 F9_60 62(3) . . . . ?
C2_60 C1_60 C4_60 F9_60 -61(2) . . . . ?
C3_60 C1_60 C4_60 F9_60 179(2) . . . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
