# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1960194'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 Al F36 Li O4.02'
_chemical_formula_weight         974.40

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'
Li Li -0.0003 0.0001 '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'

_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                   9.9680(5)
_cell_length_b                   13.4495(6)
_cell_length_c                   21.0791(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2826.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9065
_cell_measurement_theta_min      2.260
_cell_measurement_theta_max      27.517

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.290
_exptl_crystal_F_000             1873
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.340
_shelx_estimated_absorpt_T_min   0.882
_shelx_estimated_absorpt_T_max   0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6794
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS-2014/3, Sheldrick, Goettingen'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48024
_diffrn_reflns_av_unetI/netI     0.0119
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.796
_diffrn_reflns_theta_max         27.519
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6494
_reflns_number_gt                6431
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.780
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    1.000

_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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.0372P)²+1.3798P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

_refine_ls_number_reflns         6494
_refine_ls_number_parameters     648
_refine_ls_number_restraints     4333
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0739
_refine_ls_wR_factor_gt          0.0737
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
O1_5 O 0.5150(12) 0.477(3) 0.588(2) 0.0150(6) Uani 0.224(4) 1 d D U P A 2
C1_5 C 0.641(2) 0.5112(12) 0.5981(7) 0.0132(4) Uani 0.224(4) 1 d D U P A 2
C2_5 C 0.7365(11) 0.4532(8) 0.5528(5) 0.021(2) Uani 0.224(4) 1 d D U P A 2
F1_5 F 0.705(3) 0.3570(13) 0.5550(11) 0.029(5) Uani 0.224(4) 1 d D U P A 2
F2_5 F 0.865(2) 0.461(3) 0.5724(18) 0.023(5) Uani 0.224(4) 1 d D U P A 2
F3_5 F 0.7309(9) 0.4865(8) 0.4944(3) 0.028(2) Uani 0.224(4) 1 d D U P A 2
C3_5 C 0.6532(13) 0.6239(9) 0.5840(6) 0.026(3) Uani 0.224(4) 1 d D U P A 2
F4_5 F 0.6090(9) 0.6779(7) 0.6323(5) 0.030(2) Uani 0.224(4) 1 d D U P A 2
F5_5 F 0.586(4) 0.651(2) 0.5320(12) 0.028(5) Uani 0.224(4) 1 d D U P A 2
F6_5 F 0.781(2) 0.651(4) 0.575(2) 0.026(5) Uani 0.224(4) 1 d D U P A 2
C4_5 C 0.6846(11) 0.4917(9) 0.6682(5) 0.024(2) Uani 0.224(4) 1 d D U P A 2
F7_5 F 0.586(2) 0.516(2) 0.7067(12) 0.025(4) Uani 0.224(4) 1 d D U P A 2
F8_5 F 0.794(2) 0.543(2) 0.6826(17) 0.030(5) Uani 0.224(4) 1 d D U P A 2
F9_5 F 0.7154(10) 0.3968(7) 0.6765(6) 0.040(3) Uani 0.224(4) 1 d D U P A 2
O1_4 O 0.5147(4) 0.4757(9) 0.5854(7) 0.0150(6) Uani 0.776(4) 1 d D U P A 1
C1_4 C 0.6404(6) 0.5096(4) 0.5979(2) 0.0132(4) Uani 0.776(4) 1 d D U P A 1
C2_4 C 0.6796(4) 0.5922(3) 0.54893(19) 0.0205(8) Uani 0.776(4) 1 d D U P A 1
F1_4 F 0.7089(2) 0.5511(2) 0.49282(10) 0.0278(6) Uani 0.776(4) 1 d D U P A 1
F2_4 F 0.7851(7) 0.6444(10) 0.5665(7) 0.0295(18) Uani 0.776(4) 1 d D U P A 1
F3_4 F 0.5756(10) 0.6535(7) 0.5411(4) 0.0314(17) Uani 0.776(4) 1 d D U P A 1
C3_4 C 0.6527(4) 0.5533(3) 0.66615(17) 0.0216(8) Uani 0.776(4) 1 d D U P A 1
F4_4 F 0.5823(8) 0.4969(7) 0.7065(4) 0.0337(18) Uani 0.776(4) 1 d D U P A 1
F5_4 F 0.6039(2) 0.6453(2) 0.66855(16) 0.0321(7) Uani 0.776(4) 1 d D U P A 1
F6_4 F 0.7785(7) 0.5565(7) 0.6862(5) 0.0280(14) Uani 0.776(4) 1 d D U P A 1
C4_4 C 0.7375(3) 0.4207(2) 0.59034(17) 0.0152(7) Uani 0.776(4) 1 d D U P A 1
F7_4 F 0.7348(2) 0.36202(18) 0.64069(14) 0.0271(6) Uani 0.776(4) 1 d D U P A 1
F8_4 F 0.8663(6) 0.4508(9) 0.5829(5) 0.0241(15) Uani 0.776(4) 1 d D U P A 1
F9_4 F 0.7065(9) 0.3665(4) 0.5394(3) 0.0221(10) Uani 0.776(4) 1 d D U P A 1
O1_3 O 0.25306(17) 0.51601(12) 0.52296(8) 0.0122(3) Uani 1 1 d D U . . .
C1_3 C 0.2486(2) 0.49535(18) 0.45938(11) 0.0132(4) Uani 1 1 d D U . . .
C2_3 C 0.2525(3) 0.3810(2) 0.45088(13) 0.0248(6) Uani 1 1 d D U . . .
F1_3 F 0.3572(2) 0.34173(13) 0.48071(9) 0.0325(4) Uani 1 1 d D U . . .
F2_3 F 0.2542(3) 0.35136(14) 0.39117(9) 0.0456(6) Uani 1 1 d D U . . .
F3_3 F 0.1413(2) 0.34205(14) 0.47870(10) 0.0368(5) Uani 1 1 d D U . . .
C3_3 C 0.1120(3) 0.5354(2) 0.43447(13) 0.0246(6) Uani 1 1 d D U . . .
F4_3 F 0.1150(2) 0.63340(15) 0.42957(10) 0.0382(5) Uani 1 1 d D U . . .
F5_3 F 0.01496(18) 0.51252(18) 0.47698(9) 0.0378(5) Uani 1 1 d D U . . .
F6_3 F 0.0755(2) 0.49647(18) 0.37935(9) 0.0383(5) Uani 1 1 d D U . . .
C4_3 C 0.3652(3) 0.5447(2) 0.42264(13) 0.0241(6) Uani 1 1 d D U . . .
F7_3 F 0.3817(2) 0.63717(16) 0.44153(10) 0.0398(5) Uani 1 1 d D U . . .
F8_3 F 0.3402(2) 0.54489(19) 0.36038(8) 0.0419(5) Uani 1 1 d D U . . .
F9_3 F 0.47870(18) 0.49627(19) 0.43223(9) 0.0391(5) Uani 1 1 d D U . . .
O1_2 O 0.25159(17) 0.39608(12) 0.61631(8) 0.0115(3) Uani 0.9798(17) 1 d D U P A
.
C1_2 C 0.2487(2) 0.31681(18) 0.65719(12) 0.0135(4) Uani 1 1 d D U . . .
C2_2 C 0.3836(3) 0.2586(2) 0.65732(14) 0.0216(5) Uani 1 1 d D U . . .
F1_2 F 0.43047(18) 0.24930(14) 0.59870(9) 0.0301(4) Uani 1 1 d D U . . .
F2_2 F 0.3679(2) 0.16763(13) 0.68170(10) 0.0304(4) Uani 1 1 d D U . . .
F3_2 F 0.47497(18) 0.30561(14) 0.69153(10) 0.0312(4) Uani 1 1 d D U . . .
C3_2 C 0.2162(3) 0.3544(2) 0.72540(13) 0.0208(5) Uani 1 1 d D U . . .
F4_2 F 0.09021(18) 0.38642(14) 0.72765(9) 0.0276(4) Uani 1 1 d D U . . .
F5_2 F 0.29630(19) 0.42977(13) 0.73973(8) 0.0263(4) Uani 1 1 d D U . . .
F6_2 F 0.2320(2) 0.28413(13) 0.76907(8) 0.0321(4) Uani 1 1 d D U . . .
C4_2 C 0.1345(3) 0.24621(19) 0.63417(13) 0.0199(5) Uani 1 1 d D U . . .
F7_2 F 0.03045(16) 0.30177(13) 0.61318(9) 0.0268(4) Uani 1 1 d D U . . .
F8_2 F 0.08904(19) 0.18649(13) 0.67878(9) 0.0300(4) Uani 1 1 d D U . . .
F9_2 F 0.1749(2) 0.19174(13) 0.58523(9) 0.0296(4) Uani 1 1 d D U . . .
O1_1 O 0.3181(2) 0.60274(13) 0.63865(8) 0.0142(3) Uani 1 1 d D U . . .
C1_1 C 0.2361(3) 0.67758(18) 0.65643(12) 0.0137(5) Uani 1 1 d D U . . .
C2_1 C 0.0940(3) 0.6671(2) 0.62548(13) 0.0195(5) Uani 1 1 d D U . . .
F1_1 F 0.09425(18) 0.69562(14) 0.56555(8) 0.0268(4) Uani 1 1 d D U . . .
F2_1 F -0.00059(17) 0.71635(13) 0.65650(9) 0.0263(4) Uani 1 1 d D U . . .
F3_1 F 0.05803(15) 0.56905(12) 0.62602(8) 0.0210(3) Uani 1 1 d D U . . .
C3_1 C 0.2197(3) 0.6753(2) 0.73026(13) 0.0217(5) Uani 1 1 d D U . . .
F4_1 F 0.33713(18) 0.65751(15) 0.75718(8) 0.0298(4) Uani 1 1 d D U . . .
F5_1 F 0.13506(19) 0.60339(14) 0.74708(8) 0.0279(4) Uani 1 1 d D U . . .
F6_1 F 0.1722(2) 0.76122(14) 0.75246(9) 0.0328(4) Uani 1 1 d D U . . .
C4_1 C 0.2969(3) 0.7789(2) 0.63565(15) 0.0241(6) Uani 1 1 d D U . . .
F7_1 F 0.39963(19) 0.80279(14) 0.67311(10) 0.0334(4) Uani 1 1 d D U . . .
F8_1 F 0.2066(2) 0.85208(13) 0.63789(11) 0.0358(4) Uani 1 1 d D U . . .
F9_1 F 0.34175(19) 0.77259(14) 0.57634(9) 0.0303(4) Uani 1 1 d D U . . .
Al1 Al 0.34758(7) 0.50065(5) 0.59274(3) 0.00836(15) Uani 0.9798(17) 1 d D . P A
1
Al2 Al 0.162(3) 0.500(3) 0.5910(15) 0.00836(15) Uani 0.0202(17) 1 d D . P A 3
O1 O 0.251(11) 0.587(7) 0.631(4) 0.0142(3) Uani 0.0202(17) 1 d . . P A 3
O2 O -0.002(4) 0.475(6) 0.575(4) 0.0150(6) Uani 0.0202(17) 1 d D . P A 3
Li1 Li 0.0827(5) 0.4395(4) 0.5676(2) 0.0225(9) Uani 1 1 d . . . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_5 C1_5 1.354(18) . ?
C1_5 C3_5 1.549(16) . ?
C1_5 C2_5 1.558(16) . ?
C1_5 C4_5 1.562(16) . ?
C2_5 F3_5 1.312(13) . ?
C2_5 F1_5 1.332(16) . ?
C2_5 F2_5 1.346(17) . ?
F2_5 Li1 2.19(2) 1_655 ?
C3_5 F4_5 1.326(13) . ?
C3_5 F5_5 1.334(17) . ?
C3_5 F6_5 1.336(18) . ?
C4_5 F7_5 1.319(17) . ?
C4_5 F9_5 1.324(13) . ?
C4_5 F8_5 1.328(16) . ?
O1_4 C1_4 1.359(6) . ?
O1_4 Al1 1.707(4) . ?
C1_4 C4_4 1.547(6) . ?
C1_4 C3_4 1.559(6) . ?
C1_4 C2_4 1.566(6) . ?
C2_4 F2_4 1.317(9) . ?
C2_4 F3_4 1.334(8) . ?
C2_4 F1_4 1.338(5) . ?
C3_4 F6_4 1.325(8) . ?
C3_4 F5_4 1.331(5) . ?
C3_4 F4_4 1.339(8) . ?
C4_4 F7_4 1.323(4) . ?
C4_4 F9_4 1.333(7) . ?
C4_4 F8_4 1.355(7) . ?
F8_4 Li1 2.186(9) 1_655 ?
O1_3 C1_3 1.370(3) . ?
O1_3 Al2 1.71(3) . ?
O1_3 Al1 1.7590(18) . ?
O1_3 Li1 2.197(5) . ?
C1_3 C4_3 1.547(4) . ?
C1_3 C2_3 1.548(4) . ?
C1_3 C3_3 1.555(4) . ?
C2_3 F2_3 1.321(3) . ?
C2_3 F1_3 1.328(4) . ?
C2_3 F3_3 1.359(4) . ?
F3_3 Li1 2.360(6) . ?
C3_3 F4_3 1.323(4) . ?
C3_3 F6_3 1.325(3) . ?
C3_3 F5_3 1.354(4) . ?
F5_3 Li1 2.251(5) . ?
C4_3 F7_3 1.316(4) . ?
C4_3 F9_3 1.321(4) . ?
C4_3 F8_3 1.336(3) . ?
O1_2 C1_2 1.371(3) . ?
O1_2 Al2 1.75(3) . ?
O1_2 Al1 1.7721(18) . ?
O1_2 Li1 2.057(5) . ?
C1_2 C2_2 1.555(4) . ?
C1_2 C3_2 1.558(3) . ?
C1_2 C4_2 1.560(4) . ?
C2_2 F3_2 1.323(4) . ?
C2_2 F1_2 1.327(3) . ?
C2_2 F2_2 1.336(3) . ?
C3_2 F5_2 1.325(3) . ?
C3_2 F6_2 1.328(3) . ?
C3_2 F4_2 1.329(3) . ?
C4_2 F8_2 1.317(3) . ?
C4_2 F9_2 1.328(3) . ?
C4_2 F7_2 1.353(3) . ?
F7_2 Li1 2.151(5) . ?
O1_1 C1_1 1.349(3) . ?
O1_1 Al1 1.7053(19) . ?
C1_1 O1 1.33(9) . ?
C1_1 C4_1 1.554(4) . ?
C1_1 C3_1 1.565(4) . ?
C1_1 C2_1 1.566(4) . ?
C2_1 F1_1 1.320(3) . ?
C2_1 F2_1 1.325(3) . ?
C2_1 F3_1 1.367(3) . ?
F3_1 Li1 2.148(5) . ?
C3_1 F4_1 1.323(3) . ?
C3_1 F5_1 1.331(3) . ?
C3_1 F6_1 1.334(3) . ?
C4_1 F9_1 1.330(4) . ?
C4_1 F7_1 1.333(4) . ?
C4_1 F8_1 1.334(3) . ?
Al2 O1 1.69(11) . ?
Al2 O2 1.702(13) . ?
Li1 F8_4 2.186(9) 1_455 ?
Li1 F2_5 2.19(2) 1_455 ?

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
O1_5 C1_5 C3_5 112(2) . . ?
O1_5 C1_5 C2_5 107.6(16) . . ?
C3_5 C1_5 C2_5 108.9(12) . . ?
O1_5 C1_5 C4_5 110(2) . . ?
C3_5 C1_5 C4_5 109.0(12) . . ?
C2_5 C1_5 C4_5 108.9(12) . . ?
F3_5 C2_5 F1_5 110.8(13) . . ?
F3_5 C2_5 F2_5 107.5(17) . . ?
F1_5 C2_5 F2_5 107(2) . . ?
F3_5 C2_5 C1_5 112.2(10) . . ?
F1_5 C2_5 C1_5 108.7(16) . . ?
F2_5 C2_5 C1_5 111(2) . . ?
C2_5 F2_5 Li1 156(3) . 1_655 ?
F4_5 C3_5 F5_5 108.4(17) . . ?
F4_5 C3_5 F6_5 106(2) . . ?
F5_5 C3_5 F6_5 106(2) . . ?
F4_5 C3_5 C1_5 111.2(11) . . ?
F5_5 C3_5 C1_5 112.6(17) . . ?
F6_5 C3_5 C1_5 112(2) . . ?
F7_5 C4_5 F9_5 109.5(16) . . ?
F7_5 C4_5 F8_5 110(2) . . ?
F9_5 C4_5 F8_5 106.4(17) . . ?
F7_5 C4_5 C1_5 109.4(16) . . ?
F9_5 C4_5 C1_5 110.6(11) . . ?
F8_5 C4_5 C1_5 111.0(17) . . ?
C1_4 O1_4 Al1 144.7(8) . . ?
O1_4 C1_4 C4_4 107.3(5) . . ?
O1_4 C1_4 C3_4 112.2(7) . . ?
C4_4 C1_4 C3_4 109.7(4) . . ?
O1_4 C1_4 C2_4 109.9(7) . . ?
C4_4 C1_4 C2_4 109.0(4) . . ?
C3_4 C1_4 C2_4 108.8(4) . . ?
F2_4 C2_4 F3_4 109.0(7) . . ?
F2_4 C2_4 F1_4 107.2(6) . . ?
F3_4 C2_4 F1_4 108.4(5) . . ?
F2_4 C2_4 C1_4 113.0(7) . . ?
F3_4 C2_4 C1_4 109.0(6) . . ?
F1_4 C2_4 C1_4 110.1(3) . . ?
F6_4 C3_4 F5_4 107.7(5) . . ?
F6_4 C3_4 F4_4 108.2(7) . . ?
F5_4 C3_4 F4_4 108.2(5) . . ?
F6_4 C3_4 C1_4 112.4(5) . . ?
F5_4 C3_4 C1_4 110.9(4) . . ?
F4_4 C3_4 C1_4 109.4(5) . . ?
F7_4 C4_4 F9_4 108.4(3) . . ?
F7_4 C4_4 F8_4 106.8(5) . . ?
F9_4 C4_4 F8_4 106.8(6) . . ?
F7_4 C4_4 C1_4 111.5(3) . . ?
F9_4 C4_4 C1_4 111.1(5) . . ?
F8_4 C4_4 C1_4 112.0(6) . . ?
C4_4 F8_4 Li1 158.6(8) . 1_655 ?
C1_3 O1_3 Al2 141.2(11) . . ?
C1_3 O1_3 Al1 144.30(16) . . ?
C1_3 O1_3 Li1 107.36(19) . . ?
Al2 O1_3 Li1 34.3(11) . . ?
Al1 O1_3 Li1 90.07(15) . . ?
O1_3 C1_3 C4_3 112.2(2) . . ?
O1_3 C1_3 C2_3 108.29(19) . . ?
C4_3 C1_3 C2_3 110.5(2) . . ?
O1_3 C1_3 C3_3 106.8(2) . . ?
C4_3 C1_3 C3_3 109.9(2) . . ?
C2_3 C1_3 C3_3 109.1(2) . . ?
F2_3 C2_3 F1_3 108.7(3) . . ?
F2_3 C2_3 F3_3 107.8(3) . . ?
F1_3 C2_3 F3_3 106.4(2) . . ?
F2_3 C2_3 C1_3 114.3(2) . . ?
F1_3 C2_3 C1_3 111.1(2) . . ?
F3_3 C2_3 C1_3 108.2(2) . . ?
C2_3 F3_3 Li1 109.28(19) . . ?
F4_3 C3_3 F6_3 109.3(3) . . ?
F4_3 C3_3 F5_3 107.1(3) . . ?
F6_3 C3_3 F5_3 107.1(2) . . ?
F4_3 C3_3 C1_3 110.6(2) . . ?
F6_3 C3_3 C1_3 113.5(2) . . ?
F5_3 C3_3 C1_3 108.9(2) . . ?
C3_3 F5_3 Li1 116.5(2) . . ?
F7_3 C4_3 F9_3 108.2(3) . . ?
F7_3 C4_3 F8_3 108.6(2) . . ?
F9_3 C4_3 F8_3 108.1(3) . . ?
F7_3 C4_3 C1_3 110.4(2) . . ?
F9_3 C4_3 C1_3 110.8(2) . . ?
F8_3 C4_3 C1_3 110.6(2) . . ?
C1_2 O1_2 Al2 143.7(10) . . ?
C1_2 O1_2 Al1 143.57(16) . . ?
C1_2 O1_2 Li1 121.2(2) . . ?
Al2 O1_2 Li1 37.1(11) . . ?
Al1 O1_2 Li1 94.40(15) . . ?
O1_2 C1_2 C2_2 112.0(2) . . ?
O1_2 C1_2 C3_2 109.4(2) . . ?
C2_2 C1_2 C3_2 109.9(2) . . ?
O1_2 C1_2 C4_2 107.0(2) . . ?
C2_2 C1_2 C4_2 109.0(2) . . ?
C3_2 C1_2 C4_2 109.4(2) . . ?
F3_2 C2_2 F1_2 108.1(2) . . ?
F3_2 C2_2 F2_2 108.0(2) . . ?
F1_2 C2_2 F2_2 108.2(2) . . ?
F3_2 C2_2 C1_2 110.8(2) . . ?
F1_2 C2_2 C1_2 110.5(2) . . ?
F2_2 C2_2 C1_2 111.1(2) . . ?
F5_2 C3_2 F6_2 108.4(2) . . ?
F5_2 C3_2 F4_2 108.2(2) . . ?
F6_2 C3_2 F4_2 108.5(2) . . ?
F5_2 C3_2 C1_2 109.5(2) . . ?
F6_2 C3_2 C1_2 112.6(2) . . ?
F4_2 C3_2 C1_2 109.5(2) . . ?
F8_2 C4_2 F9_2 108.8(2) . . ?
F8_2 C4_2 F7_2 107.9(2) . . ?
F9_2 C4_2 F7_2 106.5(2) . . ?
F8_2 C4_2 C1_2 113.6(2) . . ?
F9_2 C4_2 C1_2 110.8(2) . . ?
F7_2 C4_2 C1_2 109.0(2) . . ?
C4_2 F7_2 Li1 115.9(2) . . ?
O1 O1_1 C1_1 73(7) . . ?
C1_1 O1_1 Al1 149.62(18) . . ?
O1 O1_1 Al2 26(7) . . ?
C1_1 O1_1 Al2 99.1(8) . . ?
O1 C1_1 O1_1 31(5) . . ?
O1 C1_1 C4_1 130(4) . . ?
O1_1 C1_1 C4_1 109.9(2) . . ?
O1 C1_1 C3_1 113(4) . . ?
O1_1 C1_1 C3_1 108.9(2) . . ?
C4_1 C1_1 C3_1 109.8(2) . . ?
O1 C1_1 C2_1 82(5) . . ?
O1_1 C1_1 C2_1 111.4(2) . . ?
C4_1 C1_1 C2_1 108.3(2) . . ?
C3_1 C1_1 C2_1 108.5(2) . . ?
F1_1 C2_1 F2_1 109.1(2) . . ?
F1_1 C2_1 F3_1 106.8(2) . . ?
F2_1 C2_1 F3_1 106.9(2) . . ?
F1_1 C2_1 C1_1 111.8(2) . . ?
F2_1 C2_1 C1_1 113.2(2) . . ?
F3_1 C2_1 C1_1 108.7(2) . . ?
F1_1 C2_1 O1 103(3) . . ?
F2_1 C2_1 O1 147(3) . . ?
F3_1 C2_1 O1 71(3) . . ?
C1_1 C2_1 O1 44(3) . . ?
F1_1 C2_1 Al2 89.0(8) . . ?
F2_1 C2_1 Al2 143.2(8) . . ?
F3_1 C2_1 Al2 36.2(7) . . ?
C1_1 C2_1 Al2 87.4(7) . . ?
O1 C2_1 Al2 44(3) . . ?
C2_1 F3_1 Al2 112.9(12) . . ?
C2_1 F3_1 O2 141(3) . . ?
Al2 F3_1 O2 61.1(18) . . ?
C2_1 F3_1 Li1 138.4(2) . . ?
Al2 F3_1 Li1 34.9(12) . . ?
O2 F3_1 Li1 26.8(19) . . ?
F4_1 C3_1 F5_1 108.4(2) . . ?
F4_1 C3_1 F6_1 108.6(2) . . ?
F5_1 C3_1 F6_1 108.1(2) . . ?
F4_1 C3_1 C1_1 109.7(2) . . ?
F5_1 C3_1 C1_1 110.2(2) . . ?
F6_1 C3_1 C1_1 111.6(2) . . ?
F9_1 C4_1 F7_1 108.3(2) . . ?
F9_1 C4_1 F8_1 107.9(2) . . ?
F7_1 C4_1 F8_1 108.7(2) . . ?
F9_1 C4_1 C1_1 109.8(2) . . ?
F7_1 C4_1 C1_1 110.1(2) . . ?
F8_1 C4_1 C1_1 111.9(2) . . ?
O1_1 Al1 O1_4 112.3(4) . . ?
O1_1 Al1 O1_3 106.71(9) . . ?
O1_4 Al1 O1_3 118.0(5) . . ?
O1_1 Al1 O1_2 112.75(9) . . ?
O1_4 Al1 O1_2 113.4(4) . . ?
O1_3 Al1 O1_2 92.20(8) . . ?
O1_1 Al1 Li1 100.38(13) . . ?
O1_4 Al1 Li1 147.2(4) . . ?
O1_3 Al1 Li1 51.28(12) . . ?
O1_2 Al1 Li1 46.75(12) . . ?
Li1 Al2 F3_1 98.7(19) . . ?
Li1 Al2 O1 171(4) . . ?
F3_1 Al2 O1 73(4) . . ?
Li1 Al2 O2 35(3) . . ?
F3_1 Al2 O2 65(3) . . ?
O1 Al2 O2 138(5) . . ?
Li1 Al2 O1_3 94.8(19) . . ?
F3_1 Al2 O1_3 132(2) . . ?
O1 Al2 O1_3 93(4) . . ?
O2 Al2 O1_3 112(4) . . ?
Li1 Al2 O1_2 85.2(19) . . ?
F3_1 Al2 O1_2 132(2) . . ?
O1 Al2 O1_2 98(4) . . ?
O2 Al2 O1_2 113(4) . . ?
O1_3 Al2 O1_2 94.8(16) . . ?
Li1 Al2 O1_1 175(2) . . ?
F3_1 Al2 O1_1 83.7(14) . . ?
O1 Al2 O1_1 11(3) . . ?
O2 Al2 O1_1 148(3) . . ?
O1_3 Al2 O1_1 86.3(12) . . ?
O1_2 Al2 O1_1 90.2(12) . . ?
Li1 Al2 C2_1 123(2) . . ?
F3_1 Al2 C2_1 30.9(7) . . ?
O1 Al2 C2_1 51(3) . . ?
O2 Al2 C2_1 89(3) . . ?
O1_3 Al2 C2_1 106.5(15) . . ?
O1_2 Al2 C2_1 141.8(17) . . ?
O1_1 Al2 C2_1 60.8(8) . . ?
O1_1 O1 C1_1 76(8) . . ?
O1_1 O1 Al2 143(10) . . ?
C1_1 O1 Al2 140(8) . . ?
O1_1 O1 C2_1 128(9) . . ?
C1_1 O1 C2_1 54(3) . . ?
Al2 O1 C2_1 86(5) . . ?
Li1 O2 Al2 46.2(19) . . ?
Li1 O2 F3_1 99(3) . . ?
Al2 O2 F3_1 54.0(19) . . ?
O2 Li1 Al2 99(4) . . ?
O2 Li1 O1_2 139(5) . . ?
Al2 Li1 O1_2 57.8(15) . . ?
O2 Li1 F3_1 54(4) . . ?
Al2 Li1 F3_1 46.4(15) . . ?
O1_2 Li1 F3_1 92.1(2) . . ?
O2 Li1 F7_2 98(5) . . ?
Al2 Li1 F7_2 123.0(15) . . ?
O1_2 Li1 F7_2 74.35(18) . . ?
F3_1 Li1 F7_2 114.5(2) . . ?
O1_2 Li1 F8_4 138.9(4) . 1_455 ?
F3_1 Li1 F8_4 75.3(4) . 1_455 ?
F7_2 Li1 F8_4 75.8(3) . 1_455 ?
O1_2 Li1 F2_5 145.5(10) . 1_455 ?
F3_1 Li1 F2_5 75.8(11) . 1_455 ?
F7_2 Li1 F2_5 81.5(10) . 1_455 ?
O2 Li1 O1_3 120(5) . . ?
Al2 Li1 O1_3 50.8(15) . . ?
O1_2 Li1 O1_3 73.38(17) . . ?
F3_1 Li1 O1_3 87.36(19) . . ?
F7_2 Li1 O1_3 141.4(3) . . ?
F8_4 Li1 O1_3 142.5(4) 1_455 . ?
F2_5 Li1 O1_3 136.4(10) 1_455 . ?
O2 Li1 F5_3 71(5) . . ?
Al2 Li1 F5_3 103.9(15) . . ?
O1_2 Li1 F5_3 142.5(3) . . ?
F3_1 Li1 F5_3 95.7(2) . . ?
F7_2 Li1 F5_3 133.0(2) . . ?
F8_4 Li1 F5_3 78.4(3) 1_455 . ?
F2_5 Li1 F5_3 71.7(9) 1_455 . ?
O1_3 Li1 F5_3 70.39(16) . . ?
O2 Li1 F3_3 128(5) . . ?
Al2 Li1 F3_3 121.6(15) . . ?
O1_2 Li1 F3_3 92.1(2) . . ?
F3_1 Li1 F3_3 159.1(3) . . ?
F7_2 Li1 F3_3 86.36(19) . . ?
F8_4 Li1 F3_3 113.6(4) 1_455 . ?
F2_5 Li1 F3_3 110.8(11) 1_455 . ?
O1_3 Li1 F3_3 74.27(17) . . ?
F5_3 Li1 F3_3 69.09(16) . . ?
O1_2 Li1 Al1 38.86(10) . . ?
F3_1 Li1 Al1 76.24(15) . . ?
F7_2 Li1 Al1 113.2(2) . . ?
F8_4 Li1 Al1 151.3(4) 1_455 . ?
O1_3 Li1 Al1 38.65(9) . . ?
F5_3 Li1 Al1 108.27(19) . . ?
F3_3 Li1 Al1 94.56(17) . . ?

_refine_diff_density_max         0.344
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.058


_chemical_properties_physical    Air-sensitive,Moisture-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_NaPF_190_FullData
_database_code_depnum_ccdc_archive 'CCDC 1960196'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;

# start Validation Reply Form

_vrf_REFNR01_NaPF_190_FullData   
;
PROBLEM: Ratio of reflections to parameters is < 6 for a
RESPONSE: The reason is high level of disorder in the structure
;
_vrf_THETM01_NaPF_190_FullData   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: The reason is that the crystal was not scattering well and could be
measured only to the lower angle. Poor scattering, particularly in
temperature > 150K is typical for the class of compounds. Below 190K
the structure becomes modulated what makes structure refinement very
demanding if not impossible.
;
_vrf_PLAT088_NaPF_190_FullData   
;
PROBLEM: Poor Data / Parameter Ratio ....................       4.27 Note  
RESPONSE: The reason is high level of disorder in the structure
;

_vrf_PLAT307_NaPF_190_FullData   
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)        Al1 Check 
RESPONSE: The atom is not isolated as a central atom in the disordered
anionic part of the compound.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 Al F36 Na O4'
_chemical_formula_weight         990.13

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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.6410(8)
_cell_length_b                   10.1222(6)
_cell_length_c                   21.3566(13)
_cell_angle_alpha                90
_cell_angle_beta                 89.957(3)
_cell_angle_gamma                90
_cell_volume                     2948.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    190(2)
_cell_measurement_reflns_used    9802
_cell_measurement_theta_min      2.224
_cell_measurement_theta_max      23.2155

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.230
_exptl_crystal_F_000             1904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.341
_shelx_estimated_absorpt_T_min   0.920
_shelx_estimated_absorpt_T_max   0.973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7066
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   'SADABS-2014/3, Sheldrick, Goettingen'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      190(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41023
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         0.953
_diffrn_reflns_theta_max         23.269
_diffrn_reflns_theta_full        23.269
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4222
_reflns_number_gt                3627
_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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0723P)²+1.5469P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4222
_refine_ls_number_parameters     988
_refine_ls_number_restraints     10021
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_ref         0.1115
_refine_ls_wR_factor_gt          0.1025
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Al1 Al 0.24945(13) 0.32503(6) 0.40993(3) 0.0207(2) Uani 0.9782(19) 1 d D . P A
1
Na1 Na 0.2510(2) 0.01355(12) 0.39210(8) 0.0610(5) Uani 0.9782(19) 1 d D . P A 1
Al2 Al 0.228(3) 0.164(3) 0.4042(18) 0.0207(2) Uani 0.0218(19) 1 d D . P A 3
Na2 Na 0.266(9) 0.475(4) 0.412(5) 0.0610(5) Uani 0.0218(19) 1 d D . P A 3
O1_1 O 0.3516(8) 0.2306(16) 0.3887(6) 0.031(3) Uani 0.556(4) 1 d D U P A 1
C1_1 C 0.4292(9) 0.2185(9) 0.3501(5) 0.0369(11) Uani 0.556(4) 1 d D U P A 1
C2_1 C 0.4979(7) 0.3382(10) 0.3522(6) 0.071(3) Uani 0.556(4) 1 d D U P A 1
F1_1 F 0.4513(10) 0.4347(11) 0.3178(7) 0.096(4) Uani 0.556(4) 1 d D U P A 1
F2_1 F 0.5147(8) 0.3787(10) 0.4073(6) 0.098(3) Uani 0.556(4) 1 d D U P A 1
F3_1 F 0.5825(7) 0.3085(9) 0.3253(7) 0.114(4) Uani 0.556(4) 1 d D U P A 1
C3_1 C 0.4845(7) 0.0932(9) 0.3692(5) 0.059(3) Uani 0.556(4) 1 d D U P A 1
F4_1 F 0.5373(9) 0.1094(12) 0.4217(5) 0.089(3) Uani 0.556(4) 1 d D U P A 1
F5_1 F 0.5454(9) 0.0428(14) 0.3278(6) 0.079(4) Uani 0.556(4) 1 d D U P A 1
F6_1 F 0.4244(7) -0.0043(8) 0.3842(6) 0.081(3) Uani 0.556(4) 1 d D U P A 1
C4_1 C 0.3928(7) 0.1997(10) 0.2825(4) 0.066(3) Uani 0.556(4) 1 d D U P A 1
F7_1 F 0.4646(7) 0.2012(12) 0.2410(4) 0.108(4) Uani 0.556(4) 1 d D U P A 1
F8_1 F 0.3511(8) 0.0774(9) 0.2789(5) 0.101(3) Uani 0.556(4) 1 d D U P A 1
F9_1 F 0.3284(7) 0.2880(10) 0.2689(4) 0.082(3) Uani 0.556(4) 1 d D U P A 1
O1_2 O 0.3387(11) 0.229(2) 0.3728(8) 0.031(3) Uani 0.444(4) 1 d D U P A 2
C1_2 C 0.4315(12) 0.2220(10) 0.3506(6) 0.0369(11) Uani 0.444(4) 1 d D U P A 2
C2_2 C 0.5050(6) 0.2343(12) 0.4043(5) 0.055(3) Uani 0.444(4) 1 d D U P A 2
F1_2 F 0.4820(7) 0.3305(10) 0.4444(6) 0.073(3) Uani 0.444(4) 1 d D U P A 2
F2_2 F 0.5976(5) 0.2592(13) 0.3872(6) 0.081(3) Uani 0.444(4) 1 d D U P A 2
F3_2 F 0.5074(9) 0.1240(13) 0.4394(6) 0.075(3) Uani 0.444(4) 1 d D U P A 2
C3_2 C 0.4446(7) 0.0905(10) 0.3158(5) 0.052(3) Uani 0.444(4) 1 d D U P A 2
F4_2 F 0.4037(7) 0.1067(12) 0.2575(4) 0.081(3) Uani 0.444(4) 1 d D U P A 2
F5_2 F 0.4060(8) -0.0096(9) 0.3467(6) 0.063(3) Uani 0.444(4) 1 d D U P A 2
F6_2 F 0.5394(9) 0.0588(16) 0.3057(7) 0.064(4) Uani 0.444(4) 1 d D U P A 2
C4_2 C 0.4530(8) 0.3353(11) 0.3047(5) 0.049(3) Uani 0.444(4) 1 d D U P A 2
F7_2 F 0.3765(7) 0.3485(10) 0.2668(5) 0.068(3) Uani 0.444(4) 1 d D U P A 2
F8_2 F 0.5294(7) 0.3099(9) 0.2676(6) 0.073(3) Uani 0.444(4) 1 d D U P A 2
F9_2 F 0.4766(8) 0.4462(11) 0.3375(7) 0.055(3) Uani 0.444(4) 1 d D U P A 2
O1_3 O 0.2390(19) 0.4846(10) 0.3840(13) 0.032(2) Uani 0.444(4) 1 d D U P A 1
C1_3 C 0.2459(7) 0.6182(19) 0.3936(6) 0.0327(8) Uani 0.444(4) 1 d D U P A 1
C2_3 C 0.1433(8) 0.6624(11) 0.4156(6) 0.046(3) Uani 0.444(4) 1 d D U P A 1
F1_3 F 0.1112(12) 0.5747(18) 0.4581(8) 0.058(3) Uani 0.444(4) 1 d D U P A 1
F2_3 F 0.1415(19) 0.7839(14) 0.4413(13) 0.062(4) Uani 0.444(4) 1 d D U P A 1
F3_3 F 0.0796(7) 0.6705(9) 0.3701(6) 0.071(3) Uani 0.444(4) 1 d D U P A 1
C3_3 C 0.3215(8) 0.6550(12) 0.4439(7) 0.058(3) Uani 0.444(4) 1 d D U P A 1
F4_3 F 0.4044(10) 0.5853(16) 0.4373(8) 0.084(5) Uani 0.444(4) 1 d D U P A 1
F5_3 F 0.2932(10) 0.6300(11) 0.5030(5) 0.076(3) Uani 0.444(4) 1 d D U P A 1
F6_3 F 0.3592(16) 0.7777(13) 0.4498(11) 0.080(5) Uani 0.444(4) 1 d D U P A 1
C4_3 C 0.2688(8) 0.6830(12) 0.3303(6) 0.048(3) Uani 0.444(4) 1 d D U P A 1
F7_3 F 0.2434(15) 0.8123(13) 0.3257(10) 0.057(3) Uani 0.444(4) 1 d D U P A 1
F8_3 F 0.3623(8) 0.6838(9) 0.3149(7) 0.086(3) Uani 0.444(4) 1 d D U P A 1
F9_3 F 0.2163(11) 0.6223(13) 0.2862(6) 0.070(3) Uani 0.444(4) 1 d D U P A 1
O1_4 O 0.2591(15) 0.4857(8) 0.3862(10) 0.032(2) Uani 0.556(4) 1 d D U P A 2
C1_4 C 0.2556(6) 0.6161(15) 0.3980(5) 0.0327(8) Uani 0.556(4) 1 d D U P A 2
C2_4 C 0.1815(7) 0.6551(10) 0.4496(5) 0.060(2) Uani 0.556(4) 1 d D U P A 2
F1_4 F 0.0958(10) 0.5939(15) 0.4430(9) 0.082(4) Uani 0.556(4) 1 d D U P A 2
F2_4 F 0.1613(15) 0.7854(12) 0.4443(10) 0.067(4) Uani 0.556(4) 1 d D U P A 2
F3_4 F 0.2247(8) 0.6331(9) 0.5036(4) 0.079(2) Uani 0.556(4) 1 d D U P A 2
C3_4 C 0.3575(7) 0.6683(10) 0.4165(5) 0.052(2) Uani 0.556(4) 1 d D U P A 2
F4_4 F 0.3927(10) 0.5906(14) 0.4619(6) 0.082(4) Uani 0.556(4) 1 d D U P A 2
F5_4 F 0.4136(6) 0.6771(7) 0.3665(5) 0.074(2) Uani 0.556(4) 1 d D U P A 2
F6_4 F 0.3372(12) 0.7926(10) 0.4401(8) 0.062(3) Uani 0.556(4) 1 d D U P A 2
C4_4 C 0.2252(9) 0.6849(11) 0.3367(5) 0.068(3) Uani 0.556(4) 1 d D U P A 2
F7_4 F 0.2701(8) 0.6348(9) 0.2861(5) 0.075(3) Uani 0.556(4) 1 d D U P A 2
F8_4 F 0.2551(17) 0.8137(11) 0.3393(8) 0.081(4) Uani 0.556(4) 1 d D U P A 2
F9_4 F 0.1276(7) 0.6754(8) 0.3305(5) 0.094(3) Uani 0.556(4) 1 d D U P A 2
O1_5 O 0.1461(6) 0.2297(13) 0.3904(5) 0.030(2) Uani 0.5 1 d D U P A 1
C1_5 C 0.0678(10) 0.2158(9) 0.3505(6) 0.0325(11) Uani 0.5 1 d D U P A 1
C2_5 C 0.0005(7) 0.3372(9) 0.3548(5) 0.051(2) Uani 0.5 1 d D U P A 1
F1_5 F -0.0131(7) 0.3741(9) 0.4126(5) 0.074(2) Uani 0.5 1 d D U P A 1
F2_5 F 0.0411(8) 0.4436(11) 0.3231(6) 0.060(3) Uani 0.5 1 d D U P A 1
F3_5 F -0.0874(6) 0.3107(8) 0.3293(7) 0.091(3) Uani 0.5 1 d D U P A 1
C3_5 C 0.1113(8) 0.1990(11) 0.2844(4) 0.067(3) Uani 0.5 1 d D U P A 1
F4_5 F 0.0444(7) 0.1916(12) 0.2398(5) 0.094(3) Uani 0.5 1 d D U P A 1
F5_5 F 0.1731(7) 0.2972(11) 0.2696(4) 0.082(3) Uani 0.5 1 d D U P A 1
F6_5 F 0.1660(7) 0.0848(8) 0.2841(5) 0.077(2) Uani 0.5 1 d D U P A 1
C4_5 C 0.0125(6) 0.0908(9) 0.3715(5) 0.045(2) Uani 0.5 1 d D U P A 1
F7_5 F 0.0726(6) -0.0064(9) 0.3847(6) 0.068(3) Uani 0.5 1 d D U P A 1
F8_5 F -0.0390(6) 0.1241(10) 0.4238(5) 0.060(3) Uani 0.5 1 d D U P A 1
F9_5 F -0.0521(9) 0.058(2) 0.3278(7) 0.067(3) Uani 0.5 1 d D U P A 1
O1_6 O 0.1631(7) 0.2220(13) 0.3722(5) 0.030(2) Uani 0.5 1 d D U P A 2
C1_6 C 0.0658(11) 0.2207(9) 0.3503(5) 0.0325(11) Uani 0.5 1 d D U P A 2
C2_6 C 0.0471(9) 0.3352(12) 0.3046(6) 0.072(3) Uani 0.5 1 d D U P A 2
F1_6 F 0.0158(13) 0.4446(14) 0.3355(9) 0.111(5) Uani 0.5 1 d D U P A 2
F2_6 F -0.0276(8) 0.3031(10) 0.2657(6) 0.097(3) Uani 0.5 1 d D U P A 2
F3_6 F 0.1231(7) 0.3647(9) 0.2705(5) 0.082(3) Uani 0.5 1 d D U P A 2
C3_6 C 0.0530(8) 0.0883(10) 0.3157(5) 0.065(3) Uani 0.5 1 d D U P A 2
F4_6 F 0.0936(9) -0.0071(9) 0.3500(6) 0.080(3) Uani 0.5 1 d D U P A 2
F5_6 F 0.1069(8) 0.0882(9) 0.2632(4) 0.082(3) Uani 0.5 1 d D U P A 2
F6_6 F -0.0388(10) 0.056(2) 0.3088(8) 0.080(4) Uani 0.5 1 d D U P A 2
C4_6 C -0.0067(7) 0.2249(12) 0.4053(5) 0.071(3) Uani 0.5 1 d D U P A 2
F7_6 F 0.0022(9) 0.1074(12) 0.4345(6) 0.096(4) Uani 0.5 1 d D U P A 2
F8_6 F -0.0966(6) 0.2458(16) 0.3851(6) 0.108(3) Uani 0.5 1 d D U P A 2
F9_6 F 0.0191(6) 0.3258(10) 0.4430(5) 0.076(3) Uani 0.5 1 d D U P A 2
O1_7 O 0.2318(8) 0.311(2) 0.4894(3) 0.0383(19) Uani 0.5 1 d D U P A 1
C1_7 C 0.2505(9) 0.2510(10) 0.5461(7) 0.0383(8) Uani 0.5 1 d D U P A 1
C2_7 C 0.3465(9) 0.3025(14) 0.5740(5) 0.096(3) Uani 0.5 1 d D U P A 1
F1_7 F 0.4157(7) 0.3148(15) 0.5283(5) 0.126(4) Uani 0.5 1 d D U P A 1
F2_7 F 0.3839(7) 0.2299(12) 0.6194(4) 0.103(3) Uani 0.5 1 d D U P A 1
F3_7 F 0.3144(10) 0.4306(12) 0.5941(6) 0.118(4) Uani 0.5 1 d D U P A 1
C3_7 C 0.2556(10) 0.1011(9) 0.5365(4) 0.078(2) Uani 0.5 1 d D U P A 1
F4_7 F 0.2346(9) 0.0356(13) 0.5893(5) 0.092(4) Uani 0.5 1 d D U P A 1
F5_7 F 0.1889(8) 0.0573(8) 0.4960(4) 0.083(3) Uani 0.5 1 d D U P A 1
F6_7 F 0.3533(9) 0.0849(12) 0.5133(7) 0.119(4) Uani 0.5 1 d D U P A 1
C4_7 C 0.1585(9) 0.2768(12) 0.5857(6) 0.088(3) Uani 0.5 1 d D U P A 1
F7_7 F 0.1872(8) 0.2630(15) 0.6462(4) 0.142(4) Uani 0.5 1 d D U P A 1
F8_7 F 0.1432(8) 0.4110(8) 0.5867(4) 0.087(3) Uani 0.5 1 d D U P A 1
F9_7 F 0.0919(7) 0.1836(13) 0.5687(6) 0.110(4) Uani 0.5 1 d D U P A 1
O1_8 O 0.2630(8) 0.316(2) 0.4895(3) 0.0383(19) Uani 0.5 1 d D U P A 2
C1_8 C 0.2481(8) 0.2601(10) 0.5443(6) 0.0383(8) Uani 0.5 1 d D U P A 2
C2_8 C 0.2801(6) 0.3553(9) 0.5964(3) 0.055(2) Uani 0.5 1 d D U P A 2
F1_8 F 0.3797(6) 0.3915(10) 0.5791(5) 0.085(3) Uani 0.5 1 d D U P A 2
F2_8 F 0.2871(9) 0.2957(9) 0.6524(3) 0.120(4) Uani 0.5 1 d D U P A 2
F3_8 F 0.2254(7) 0.4608(8) 0.6043(4) 0.095(3) Uani 0.5 1 d D U P A 2
C3_8 C 0.1378(8) 0.2333(12) 0.5529(5) 0.076(3) Uani 0.5 1 d D U P A 2
F4_8 F 0.1123(8) 0.1226(12) 0.5246(5) 0.115(3) Uani 0.5 1 d D U P A 2
F5_8 F 0.0884(6) 0.3380(13) 0.5357(6) 0.119(4) Uani 0.5 1 d D U P A 2
F6_8 F 0.1182(9) 0.2095(14) 0.6142(5) 0.119(4) Uani 0.5 1 d D U P A 2
C4_8 C 0.3098(8) 0.1355(9) 0.5546(5) 0.071(2) Uani 0.5 1 d D U P A 2
F7_8 F 0.2822(11) 0.0520(10) 0.5025(5) 0.115(4) Uani 0.5 1 d D U P A 2
F8_8 F 0.2704(12) 0.0601(15) 0.6017(5) 0.117(4) Uani 0.5 1 d D U P A 2
F9_8 F 0.4051(7) 0.1656(10) 0.5532(8) 0.116(4) Uani 0.5 1 d D U P A 2


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O1_4 1.709(6) . ?
Al1 O1_8 1.712(6) . ?
Al1 O1_3 1.714(7) . ?
Al1 O1_7 1.720(6) . ?
Al1 O1_2 1.748(7) . ?
Al1 O1_1 1.750(6) . ?
Al1 O1_5 1.759(6) . ?
Al1 O1_6 1.768(6) . ?
Na1 F6_1 2.378(10) . ?
Na1 F5_7 2.415(10) . ?
Na1 F7_5 2.447(9) . ?
Na1 F7_3 2.483(16) 1_545 ?
Na1 O1_1 2.591(18) . ?
Na1 O1_5 2.614(15) . ?
Na1 F6_5 2.681(11) . ?
Na1 F8_1 2.850(11) . ?
Na1 F2_3 2.95(2) 1_545 ?
O1_1 C1_1 1.346(16) . ?
C1_1 C3_1 1.532(7) . ?
C1_1 C2_1 1.532(7) . ?
C1_1 C4_1 1.539(7) . ?
C2_1 F2_1 1.268(11) . ?
C2_1 F3_1 1.323(10) . ?
C2_1 F1_1 1.377(12) . ?
C3_1 F5_1 1.316(11) . ?
C3_1 F6_1 1.323(10) . ?
C3_1 F4_1 1.341(12) . ?
C4_1 F9_1 1.286(10) . ?
C4_1 F7_1 1.321(10) . ?
C4_1 F8_1 1.364(11) . ?
O1_2 C1_2 1.35(2) . ?
C1_2 C2_2 1.530(8) . ?
C1_2 C3_2 1.535(8) . ?
C1_2 C4_2 1.536(8) . ?
C2_2 F1_2 1.334(10) . ?
C2_2 F2_2 1.339(10) . ?
C2_2 F3_2 1.345(12) . ?
C3_2 F5_2 1.318(11) . ?
C3_2 F6_2 1.350(12) . ?
C3_2 F4_2 1.375(12) . ?
C4_2 F7_2 1.329(11) . ?
C4_2 F8_2 1.335(10) . ?
C4_2 F9_2 1.361(12) . ?
O1_3 C1_3 1.37(2) . ?
C1_3 C3_3 1.535(7) . ?
C1_3 C4_3 1.536(7) . ?
C1_3 C2_3 1.542(7) . ?
C2_3 F3_3 1.307(11) . ?
C2_3 F1_3 1.342(13) . ?
C2_3 F2_3 1.347(13) . ?
F2_3 Na1 2.96(2) 1_565 ?
C3_3 F4_3 1.340(12) . ?
C3_3 F5_3 1.344(12) . ?
C3_3 F6_3 1.350(13) . ?
C4_3 F8_3 1.317(11) . ?
C4_3 F9_3 1.333(12) . ?
C4_3 F7_3 1.358(12) . ?
F7_3 Na1 2.483(16) 1_565 ?
O1_4 C1_4 1.344(17) . ?
C1_4 C4_4 1.539(7) . ?
C1_4 C3_4 1.540(7) . ?
C1_4 C2_4 1.546(7) . ?
C2_4 F3_4 1.315(11) . ?
C2_4 F1_4 1.331(12) . ?
C2_4 F2_4 1.352(12) . ?
C3_4 F5_4 1.315(10) . ?
C3_4 F4_4 1.338(11) . ?
C3_4 F6_4 1.384(12) . ?
C4_4 F9_4 1.342(11) . ?
C4_4 F7_4 1.342(11) . ?
C4_4 F8_4 1.367(12) . ?
O1_5 C1_5 1.374(18) . ?
C1_5 C2_5 1.536(7) . ?
C1_5 C3_5 1.539(7) . ?
C1_5 C4_5 1.540(7) . ?
C2_5 F1_5 1.303(11) . ?
C2_5 F3_5 1.345(10) . ?
C2_5 F2_5 1.388(12) . ?
C3_5 F4_5 1.322(11) . ?
C3_5 F5_5 1.341(10) . ?
C3_5 F6_5 1.376(11) . ?
C4_5 F7_5 1.313(10) . ?
C4_5 F9_5 1.324(12) . ?
C4_5 F8_5 1.362(11) . ?
O1_6 C1_6 1.407(18) . ?
C1_6 C2_6 1.536(7) . ?
C1_6 C4_6 1.536(7) . ?
C1_6 C3_6 1.539(7) . ?
C2_6 F3_6 1.302(11) . ?
C2_6 F2_6 1.354(11) . ?
C2_6 F1_6 1.358(13) . ?
C3_6 F6_6 1.303(12) . ?
C3_6 F4_6 1.333(11) . ?
C3_6 F5_6 1.340(11) . ?
C4_6 F8_6 1.318(11) . ?
C4_6 F9_6 1.346(11) . ?
C4_6 F7_6 1.348(12) . ?
O1_7 C1_7 1.377(17) . ?
C1_7 C2_7 1.530(7) . ?
C1_7 C3_7 1.533(7) . ?
C1_7 C4_7 1.536(8) . ?
C2_7 F2_7 1.320(11) . ?
C2_7 F1_7 1.362(12) . ?
C2_7 F3_7 1.434(13) . ?
C3_7 F5_7 1.333(12) . ?
C3_7 F4_7 1.338(10) . ?
C3_7 F6_7 1.430(13) . ?
C4_7 F7_7 1.358(12) . ?
C4_7 F9_7 1.359(12) . ?
C4_7 F8_7 1.374(11) . ?
O1_8 C1_8 1.315(17) . ?
C1_8 C4_8 1.532(7) . ?
C1_8 C2_8 1.534(7) . ?
C1_8 C3_8 1.540(8) . ?
C2_8 F3_8 1.313(11) . ?
C2_8 F2_8 1.345(10) . ?
C2_8 F1_8 1.455(10) . ?
C3_8 F5_8 1.308(11) . ?
C3_8 F4_8 1.321(12) . ?
C3_8 F6_8 1.356(11) . ?
C4_8 F9_8 1.335(12) . ?
C4_8 F8_8 1.372(11) . ?
C4_8 F7_8 1.447(10) . ?

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
O1_4 Al1 O1_8 109.8(10) . . ?
O1_3 Al1 O1_7 112.8(12) . . ?
O1_4 Al1 O1_2 109.9(11) . . ?
O1_8 Al1 O1_2 110.2(9) . . ?
O1_3 Al1 O1_1 119.9(11) . . ?
O1_7 Al1 O1_1 108.7(7) . . ?
O1_3 Al1 O1_5 111.9(10) . . ?
O1_7 Al1 O1_5 94.4(6) . . ?
O1_1 Al1 O1_5 106.1(6) . . ?
O1_4 Al1 O1_6 118.5(9) . . ?
O1_8 Al1 O1_6 119.5(6) . . ?
O1_2 Al1 O1_6 86.0(7) . . ?
O1_3 Al1 Na1 153.9(10) . . ?
O1_7 Al1 Na1 92.0(7) . . ?
O1_1 Al1 Na1 54.6(6) . . ?
O1_5 Al1 Na1 55.4(5) . . ?
F6_1 Na1 F5_7 115.3(4) . . ?
F6_1 Na1 F7_5 168.0(2) . . ?
F5_7 Na1 F7_5 74.1(4) . . ?
F6_1 Na1 F7_3 86.5(5) . 1_545 ?
F5_7 Na1 F7_3 131.3(5) . 1_545 ?
F7_5 Na1 F7_3 81.6(5) . 1_545 ?
F6_1 Na1 O1_1 62.3(3) . . ?
F5_7 Na1 O1_1 93.2(3) . . ?
F7_5 Na1 O1_1 126.5(3) . . ?
F7_3 Na1 O1_1 134.6(5) 1_545 . ?
F6_1 Na1 O1_5 127.4(3) . . ?
F5_7 Na1 O1_5 70.6(3) . . ?
F7_5 Na1 O1_5 61.6(3) . . ?
F7_3 Na1 O1_5 130.9(5) 1_545 . ?
O1_1 Na1 O1_5 65.17(19) . . ?
F6_1 Na1 F6_5 113.0(3) . . ?
F5_7 Na1 F6_5 126.1(3) . . ?
F7_5 Na1 F6_5 62.4(3) . . ?
F7_3 Na1 F6_5 73.2(5) 1_545 . ?
O1_1 Na1 F6_5 88.7(4) . . ?
O1_5 Na1 F6_5 61.7(3) . . ?
F6_1 Na1 F8_1 58.8(4) . . ?
F5_7 Na1 F8_1 154.9(3) . . ?
F7_5 Na1 F8_1 116.1(4) . . ?
F7_3 Na1 F8_1 73.9(5) 1_545 . ?
O1_1 Na1 F8_1 62.0(3) . . ?
O1_5 Na1 F8_1 93.4(3) . . ?
F6_5 Na1 F8_1 54.3(2) . . ?
F6_1 Na1 F2_3 117.9(4) . 1_545 ?
F5_7 Na1 F2_3 69.0(5) . 1_545 ?
F7_5 Na1 F2_3 57.0(5) . 1_545 ?
F7_3 Na1 F2_3 62.4(6) 1_545 1_545 ?
O1_1 Na1 F2_3 160.8(5) . 1_545 ?
O1_5 Na1 F2_3 112.8(5) . 1_545 ?
F6_5 Na1 F2_3 107.4(5) . 1_545 ?
F8_1 Na1 F2_3 136.2(5) . 1_545 ?
F6_1 Na1 Al1 95.2(2) . . ?
F5_7 Na1 Al1 72.88(18) . . ?
F7_5 Na1 Al1 94.8(2) . . ?
F7_3 Na1 Al1 151.9(5) 1_545 . ?
O1_1 Na1 Al1 33.41(13) . . ?
O1_5 Na1 Al1 33.62(14) . . ?
F6_5 Na1 Al1 80.41(18) . . ?
F8_1 Na1 Al1 83.09(18) . . ?
F2_3 Na1 Al1 137.3(4) 1_545 . ?
C1_1 O1_1 Al1 146.5(12) . . ?
C1_1 O1_1 Na1 110.9(8) . . ?
Al1 O1_1 Na1 92.0(6) . . ?
O1_1 C1_1 C3_1 107.4(9) . . ?
O1_1 C1_1 C2_1 113.0(11) . . ?
C3_1 C1_1 C2_1 110.2(9) . . ?
O1_1 C1_1 C4_1 109.4(10) . . ?
C3_1 C1_1 C4_1 107.9(9) . . ?
C2_1 C1_1 C4_1 108.8(10) . . ?
F2_1 C2_1 F3_1 108.5(11) . . ?
F2_1 C2_1 F1_1 110.5(11) . . ?
F3_1 C2_1 F1_1 109.4(11) . . ?
F2_1 C2_1 C1_1 113.1(9) . . ?
F3_1 C2_1 C1_1 110.0(10) . . ?
F1_1 C2_1 C1_1 105.3(10) . . ?
F5_1 C3_1 F6_1 105.4(10) . . ?
F5_1 C3_1 F4_1 105.7(10) . . ?
F6_1 C3_1 F4_1 102.8(10) . . ?
F5_1 C3_1 C1_1 116.9(10) . . ?
F6_1 C3_1 C1_1 112.1(8) . . ?
F4_1 C3_1 C1_1 112.7(9) . . ?
C3_1 F6_1 Na1 125.2(7) . . ?
F9_1 C4_1 F7_1 110.3(9) . . ?
F9_1 C4_1 F8_1 109.5(10) . . ?
F7_1 C4_1 F8_1 106.4(10) . . ?
F9_1 C4_1 C1_1 110.2(8) . . ?
F7_1 C4_1 C1_1 112.9(10) . . ?
F8_1 C4_1 C1_1 107.4(8) . . ?
C4_1 F8_1 Na1 111.0(6) . . ?
O1_2 C1_2 C2_2 110.2(12) . . ?
O1_2 C1_2 C3_2 108.9(12) . . ?
C2_2 C1_2 C3_2 111.0(10) . . ?
O1_2 C1_2 C4_2 111.2(12) . . ?
C2_2 C1_2 C4_2 107.0(10) . . ?
C3_2 C1_2 C4_2 108.5(10) . . ?
F1_2 C2_2 F2_2 105.0(9) . . ?
F1_2 C2_2 F3_2 104.8(11) . . ?
F2_2 C2_2 F3_2 106.6(10) . . ?
F1_2 C2_2 C1_2 112.8(9) . . ?
F2_2 C2_2 C1_2 115.4(11) . . ?
F3_2 C2_2 C1_2 111.5(10) . . ?
F5_2 C3_2 F6_2 106.3(10) . . ?
F5_2 C3_2 F4_2 112.5(11) . . ?
F6_2 C3_2 F4_2 105.8(10) . . ?
F5_2 C3_2 C1_2 112.2(9) . . ?
F6_2 C3_2 C1_2 113.2(12) . . ?
F4_2 C3_2 C1_2 106.7(9) . . ?
F7_2 C4_2 F8_2 105.7(10) . . ?
F7_2 C4_2 F9_2 114.6(11) . . ?
F8_2 C4_2 F9_2 106.2(10) . . ?
F7_2 C4_2 C1_2 108.4(9) . . ?
F8_2 C4_2 C1_2 112.6(11) . . ?
F9_2 C4_2 C1_2 109.5(10) . . ?
C1_3 O1_3 Al1 151(2) . . ?
O1_3 C1_3 C3_3 113.0(14) . . ?
O1_3 C1_3 C4_3 107.7(13) . . ?
C3_3 C1_3 C4_3 112.1(11) . . ?
O1_3 C1_3 C2_3 105.6(14) . . ?
C3_3 C1_3 C2_3 109.1(10) . . ?
C4_3 C1_3 C2_3 109.2(10) . . ?
F3_3 C2_3 F1_3 109.1(12) . . ?
F3_3 C2_3 F2_3 103.5(12) . . ?
F1_3 C2_3 F2_3 108.9(16) . . ?
F3_3 C2_3 C1_3 113.3(9) . . ?
F1_3 C2_3 C1_3 108.0(12) . . ?
F2_3 C2_3 C1_3 113.9(15) . . ?
C2_3 F2_3 Na1 124.4(17) . 1_565 ?
F4_3 C3_3 F5_3 103.9(13) . . ?
F4_3 C3_3 F6_3 99.9(13) . . ?
F5_3 C3_3 F6_3 101.2(14) . . ?
F4_3 C3_3 C1_3 111.5(11) . . ?
F5_3 C3_3 C1_3 114.7(10) . . ?
F6_3 C3_3 C1_3 123.0(15) . . ?
F8_3 C4_3 F9_3 110.3(13) . . ?
F8_3 C4_3 F7_3 103.0(12) . . ?
F9_3 C4_3 F7_3 104.9(13) . . ?
F8_3 C4_3 C1_3 114.7(10) . . ?
F9_3 C4_3 C1_3 108.4(10) . . ?
F7_3 C4_3 C1_3 115.0(14) . . ?
C4_3 F7_3 Na1 137.7(14) . 1_565 ?
O1_4 C1_4 C4_4 107.2(11) . . ?
O1_4 C1_4 C3_4 110.6(11) . . ?
C4_4 C1_4 C3_4 107.9(9) . . ?
O1_4 C1_4 C2_4 114.0(12) . . ?
C4_4 C1_4 C2_4 108.3(9) . . ?
C3_4 C1_4 C2_4 108.6(8) . . ?
F3_4 C2_4 F1_4 114.1(12) . . ?
F3_4 C2_4 F2_4 109.3(12) . . ?
F1_4 C2_4 F2_4 105.5(13) . . ?
F3_4 C2_4 C1_4 106.8(8) . . ?
F1_4 C2_4 C1_4 112.3(11) . . ?
F2_4 C2_4 C1_4 108.8(13) . . ?
F5_4 C3_4 F4_4 114.8(10) . . ?
F5_4 C3_4 F6_4 110.5(10) . . ?
F4_4 C3_4 F6_4 109.9(11) . . ?
F5_4 C3_4 C1_4 109.9(8) . . ?
F4_4 C3_4 C1_4 108.0(10) . . ?
F6_4 C3_4 C1_4 103.0(11) . . ?
F9_4 C4_4 F7_4 110.2(11) . . ?
F9_4 C4_4 F8_4 111.7(13) . . ?
F7_4 C4_4 F8_4 104.9(12) . . ?
F9_4 C4_4 C1_4 108.7(9) . . ?
F7_4 C4_4 C1_4 112.9(10) . . ?
F8_4 C4_4 C1_4 108.5(12) . . ?
C1_5 O1_5 Al1 145.8(11) . . ?
C1_5 O1_5 Na1 110.4(7) . . ?
Al1 O1_5 Na1 91.0(5) . . ?
O1_5 C1_5 C2_5 110.2(10) . . ?
O1_5 C1_5 C3_5 106.2(9) . . ?
C2_5 C1_5 C3_5 112.0(10) . . ?
O1_5 C1_5 C4_5 106.5(10) . . ?
C2_5 C1_5 C4_5 110.3(9) . . ?
C3_5 C1_5 C4_5 111.4(9) . . ?
F1_5 C2_5 F3_5 108.3(10) . . ?
F1_5 C2_5 F2_5 107.2(10) . . ?
F3_5 C2_5 F2_5 108.2(10) . . ?
F1_5 C2_5 C1_5 111.8(9) . . ?
F3_5 C2_5 C1_5 110.5(10) . . ?
F2_5 C2_5 C1_5 110.7(8) . . ?
F4_5 C3_5 F5_5 107.8(10) . . ?
F4_5 C3_5 F6_5 108.8(10) . . ?
F5_5 C3_5 F6_5 106.3(10) . . ?
F4_5 C3_5 C1_5 113.6(10) . . ?
F5_5 C3_5 C1_5 112.2(8) . . ?
F6_5 C3_5 C1_5 107.8(8) . . ?
C3_5 F6_5 Na1 117.2(6) . . ?
F7_5 C4_5 F9_5 112.5(11) . . ?
F7_5 C4_5 F8_5 109.2(10) . . ?
F9_5 C4_5 F8_5 107.3(9) . . ?
F7_5 C4_5 C1_5 111.9(8) . . ?
F9_5 C4_5 C1_5 109.0(12) . . ?
F8_5 C4_5 C1_5 106.8(8) . . ?
C4_5 F7_5 Na1 125.0(7) . . ?
O1_6 C1_6 C2_6 111.1(10) . . ?
O1_6 C1_6 C4_6 110.6(10) . . ?
C2_6 C1_6 C4_6 111.0(10) . . ?
O1_6 C1_6 C3_6 106.0(9) . . ?
C2_6 C1_6 C3_6 109.5(10) . . ?
C4_6 C1_6 C3_6 108.6(9) . . ?
F3_6 C2_6 F2_6 108.1(11) . . ?
F3_6 C2_6 F1_6 109.6(12) . . ?
F2_6 C2_6 F1_6 104.9(12) . . ?
F3_6 C2_6 C1_6 113.3(9) . . ?
F2_6 C2_6 C1_6 109.5(11) . . ?
F1_6 C2_6 C1_6 111.0(11) . . ?
F6_6 C3_6 F4_6 106.2(12) . . ?
F6_6 C3_6 F5_6 115.5(11) . . ?
F4_6 C3_6 F5_6 103.4(10) . . ?
F6_6 C3_6 C1_6 112.5(12) . . ?
F4_6 C3_6 C1_6 108.7(9) . . ?
F5_6 C3_6 C1_6 109.9(8) . . ?
F8_6 C4_6 F9_6 108.5(10) . . ?
F8_6 C4_6 F7_6 112.2(12) . . ?
F9_6 C4_6 F7_6 111.7(11) . . ?
F8_6 C4_6 C1_6 110.6(11) . . ?
F9_6 C4_6 C1_6 108.0(9) . . ?
F7_6 C4_6 C1_6 105.8(9) . . ?
C1_7 O1_7 Al1 151.5(13) . . ?
O1_7 C1_7 C2_7 110.6(10) . . ?
O1_7 C1_7 C3_7 109.0(11) . . ?
C2_7 C1_7 C3_7 110.5(10) . . ?
O1_7 C1_7 C4_7 105.0(10) . . ?
C2_7 C1_7 C4_7 115.2(9) . . ?
C3_7 C1_7 C4_7 106.2(10) . . ?
F2_7 C2_7 F1_7 107.9(11) . . ?
F2_7 C2_7 F3_7 113.6(11) . . ?
F1_7 C2_7 F3_7 110.1(12) . . ?
F2_7 C2_7 C1_7 115.4(11) . . ?
F1_7 C2_7 C1_7 110.2(10) . . ?
F3_7 C2_7 C1_7 99.5(9) . . ?
F5_7 C3_7 F4_7 103.7(9) . . ?
F5_7 C3_7 F6_7 111.9(12) . . ?
F4_7 C3_7 F6_7 115.7(11) . . ?
F5_7 C3_7 C1_7 112.6(9) . . ?
F4_7 C3_7 C1_7 111.6(11) . . ?
F6_7 C3_7 C1_7 101.6(9) . . ?
C3_7 F5_7 Na1 114.7(9) . . ?
F7_7 C4_7 F9_7 112.1(12) . . ?
F7_7 C4_7 F8_7 97.5(10) . . ?
F9_7 C4_7 F8_7 126.1(12) . . ?
F7_7 C4_7 C1_7 105.7(10) . . ?
F9_7 C4_7 C1_7 106.3(10) . . ?
F8_7 C4_7 C1_7 107.5(9) . . ?
O1_8 C1_8 C4_8 113.3(11) . . ?
O1_8 C1_8 C2_8 109.4(10) . . ?
C4_8 C1_8 C2_8 104.9(8) . . ?
O1_8 C1_8 C3_8 109.4(10) . . ?
C4_8 C1_8 C3_8 112.0(10) . . ?
C2_8 C1_8 C3_8 107.6(9) . . ?
F3_8 C2_8 F2_8 106.9(8) . . ?
F3_8 C2_8 F1_8 111.0(9) . . ?
F2_8 C2_8 F1_8 105.8(9) . . ?
F3_8 C2_8 C1_8 116.3(7) . . ?
F2_8 C2_8 C1_8 112.6(9) . . ?
F1_8 C2_8 C1_8 103.9(8) . . ?
F5_8 C3_8 F4_8 115.0(12) . . ?
F5_8 C3_8 F6_8 108.3(11) . . ?
F4_8 C3_8 F6_8 103.9(11) . . ?
F5_8 C3_8 C1_8 109.0(9) . . ?
F4_8 C3_8 C1_8 110.6(9) . . ?
F6_8 C3_8 C1_8 109.8(11) . . ?
F9_8 C4_8 F8_8 121.6(12) . . ?
F9_8 C4_8 F7_8 111.7(11) . . ?
F8_8 C4_8 F7_8 97.8(9) . . ?
F9_8 C4_8 C1_8 110.1(9) . . ?
F8_8 C4_8 C1_8 110.4(12) . . ?
F7_8 C4_8 C1_8 103.2(9) . . ?

_refine_diff_density_max         0.314
_refine_diff_density_min         -0.189
_refine_diff_density_rms         0.048


_chemical_properties_physical    Moisture-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_twin5
_database_code_depnum_ccdc_archive 'CCDC 1960198'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_twin5               
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.872 Why?
RESPONSE: This is due to twinning. Data reduction resulted in removal of large
fraction of data.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 Al1.50 Cs1.50 F54 O6'
_chemical_formula_weight         1650.07

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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   17.1845(18)
_cell_length_b                   17.4964(18)
_cell_length_c                   18.6544(19)
_cell_angle_alpha                105.940(2)
_cell_angle_beta                 105.366(2)
_cell_angle_gamma                113.601(2)
_cell_volume                     4472.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5086
_cell_measurement_theta_min      2.433
_cell_measurement_theta_max      30.688

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.451
_exptl_crystal_F_000             3120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.526
_shelx_estimated_absorpt_T_min   0.750
_shelx_estimated_absorpt_T_max   0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.641411
_exptl_absorpt_correction_T_max  0.746345
_exptl_absorpt_process_details   
'TWINABS 2012/1, Sheldrick, University of Goettingen, Germany'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23969
_diffrn_reflns_av_unetI/netI     0.0754
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.254
_diffrn_reflns_theta_max         30.768
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.801
_diffrn_measured_fraction_theta_full 0.872
_diffrn_reflns_Laue_measured_fraction_max 0.801
_diffrn_reflns_Laue_measured_fraction_full 0.872
_diffrn_reflns_point_group_measured_fraction_max 0.622
_diffrn_reflns_point_group_measured_fraction_full 0.724
_reflns_number_total             23969
_reflns_number_gt                14867
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.554
_reflns_Friedel_fraction_max     0.444
_reflns_Friedel_fraction_full    0.576

_reflns_special_details          
;
 _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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0442P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.340(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         23969
_refine_ls_number_parameters     3110
_refine_ls_number_restraints     85179
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1304
_refine_ls_wR_factor_gt          0.1071
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      0.777
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001

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
O1_6 O -0.2579(6) 0.0407(6) -0.0345(6) 0.014(2) Uani 1 1 d D U . . .
C1_6 C -0.2668(6) -0.0438(7) -0.0686(6) 0.014(2) Uani 1 1 d D U . . .
C2_6 C -0.2069(7) -0.0586(7) -0.0006(6) 0.017(2) Uani 1 1 d D U . . .
F1_6 F -0.1232(5) 0.0177(5) 0.0463(5) 0.025(2) Uani 1 1 d D U . . .
F2_6 F -0.1940(6) -0.1274(6) -0.0336(5) 0.024(2) Uani 1 1 d D U . . .
F3_6 F -0.2487(6) -0.0772(6) 0.0483(5) 0.023(2) Uani 1 1 d D U . . .
C3_6 C -0.3730(7) -0.1176(7) -0.1052(7) 0.021(3) Uani 1 1 d D U . . .
F4_6 F -0.4228(6) -0.1204(7) -0.1743(5) 0.033(2) Uani 1 1 d D U . . .
F5_6 F -0.4098(6) -0.1004(7) -0.0522(6) 0.028(2) Uani 1 1 d D U . . .
F6_6 F -0.3860(6) -0.2020(5) -0.1199(6) 0.031(2) Uani 1 1 d D U . . .
C4_6 C -0.2350(7) -0.0521(7) -0.1404(6) 0.015(2) Uani 1 1 d D U . . .
F7_6 F -0.2646(6) -0.0143(6) -0.1850(5) 0.024(2) Uani 1 1 d D U . . .
F8_6 F -0.2674(6) -0.1386(5) -0.1905(5) 0.028(2) Uani 1 1 d D U . . .
F9_6 F -0.1420(5) -0.0066(6) -0.1096(5) 0.0206(19) Uani 1 1 d D U . . .
O1_24 O 0.1771(6) 0.6802(6) 0.4003(5) 0.014(2) Uani 1 1 d D U . . .
C1_24 C 0.2265(6) 0.6706(6) 0.3563(6) 0.016(2) Uani 1 1 d D U . . .
C2_24 C 0.3301(7) 0.7077(8) 0.4127(7) 0.022(3) Uani 1 1 d D U . . .
F1_24 F 0.3654(6) 0.7897(6) 0.4763(5) 0.032(2) Uani 1 1 d D U . . .
F2_24 F 0.3854(6) 0.7202(7) 0.3744(6) 0.036(3) Uani 1 1 d D U . . .
F3_24 F 0.3382(6) 0.6519(6) 0.4460(6) 0.031(2) Uani 1 1 d D U . . .
C3_24 C 0.1784(7) 0.5649(7) 0.2991(6) 0.020(3) Uani 1 1 d D U . . .
F4_24 F 0.0976(6) 0.5369(6) 0.2362(5) 0.033(2) Uani 1 1 d D U . . .
F5_24 F 0.1583(6) 0.5176(6) 0.3421(5) 0.031(2) Uani 1 1 d D U . . .
F6_24 F 0.2303(7) 0.5468(7) 0.2647(6) 0.036(3) Uani 1 1 d D U . . .
C4_24 C 0.2245(8) 0.7229(8) 0.3015(7) 0.029(3) Uani 1 1 d D U . . .
F7_24 F 0.1396(6) 0.7097(7) 0.2655(6) 0.039(2) Uani 1 1 d D U . . .
F8_24 F 0.2517(7) 0.6996(7) 0.2421(6) 0.046(3) Uani 1 1 d D U . . .
F9_24 F 0.2814(7) 0.8137(6) 0.3475(6) 0.045(3) Uani 1 1 d D U . . .
O1_23 O 0.2253(6) 0.8585(5) 0.5012(6) 0.018(2) Uani 1 1 d D U . . .
C1_23 C 0.2606(6) 0.9494(7) 0.5503(6) 0.015(2) Uani 1 1 d D U . . .
C2_23 C 0.3627(7) 0.9913(8) 0.6139(7) 0.028(3) Uani 1 1 d D U . . .
F1_23 F 0.3638(6) 0.9646(6) 0.6736(5) 0.033(2) Uani 1 1 d D U . . .
F2_23 F 0.4113(6) 1.0844(6) 0.6506(6) 0.034(2) Uani 1 1 d D U . . .
F3_23 F 0.4120(6) 0.9666(6) 0.5791(6) 0.039(3) Uani 1 1 d D U . . .
C3_23 C 0.2597(8) 1.0005(7) 0.4943(6) 0.016(2) Uani 1 1 d D U . . .
F4_23 F 0.1792(6) 0.9518(6) 0.4280(5) 0.028(2) Uani 1 1 d D U . . .
F5_23 F 0.3282(6) 1.0137(6) 0.4694(5) 0.029(2) Uani 1 1 d D U . . .
F6_23 F 0.2713(8) 1.0834(6) 0.5329(6) 0.037(3) Uani 1 1 d D U . . .
C4_23 C 0.1996(7) 0.9590(7) 0.5969(6) 0.019(3) Uani 1 1 d D U . . .
F7_23 F 0.1207(6) 0.9494(7) 0.5489(5) 0.029(2) Uani 1 1 d D U . . .
F8_23 F 0.2464(6) 1.0449(5) 0.6610(5) 0.030(2) Uani 1 1 d D U . . .
F9_23 F 0.1775(6) 0.8982(5) 0.6275(5) 0.0222(19) Uani 1 1 d D U . . .
O1_22 O 0.0586(5) 0.7007(6) 0.4742(5) 0.0137(19) Uani 1 1 d D U . . .
C1_22 C -0.0313(6) 0.6675(7) 0.4225(6) 0.017(2) Uani 1 1 d D U . . .
C2_22 C -0.0372(8) 0.7189(8) 0.3675(7) 0.025(3) Uani 1 1 d D U . . .
F1_22 F -0.0183(8) 0.8041(7) 0.4082(6) 0.049(3) Uani 1 1 d D U . . .
F2_22 F -0.1220(7) 0.6750(7) 0.3051(6) 0.050(3) Uani 1 1 d D U . . .
F3_22 F 0.0233(7) 0.7319(8) 0.3352(7) 0.053(3) Uani 1 1 d D U . . .
C3_22 C -0.0810(8) 0.5631(8) 0.3665(7) 0.034(3) Uani 1 1 d D U . . .
F4_22 F -0.0608(8) 0.5185(7) 0.4066(7) 0.055(3) Uani 1 1 d D U . . .
F5_22 F -0.0508(8) 0.5531(7) 0.3066(6) 0.059(3) Uani 1 1 d D U . . .
F6_22 F -0.1731(6) 0.5220(6) 0.3299(6) 0.041(3) Uani 1 1 d D U . . .
C4_22 C -0.0836(8) 0.6839(9) 0.4769(7) 0.035(3) Uani 1 1 d D U . . .
F7_22 F -0.1018(9) 0.6206(8) 0.5066(8) 0.067(3) Uani 1 1 d D U . . .
F8_22 F -0.1654(6) 0.6694(8) 0.4348(7) 0.060(3) Uani 1 1 d D U . . .
F9_22 F -0.0336(8) 0.7673(7) 0.5352(7) 0.065(4) Uani 1 1 d D U . . .
O1_21 O 0.2382(6) 0.7439(6) 0.5756(5) 0.015(2) Uani 1 1 d D U . . .
C1_21 C 0.2402(6) 0.6958(7) 0.6211(6) 0.017(2) Uani 1 1 d D U . . .
C2_21 C 0.3440(7) 0.7418(8) 0.6841(7) 0.025(3) Uani 1 1 d D U . . .
F1_21 F 0.3994(6) 0.7579(8) 0.6454(6) 0.040(3) Uani 1 1 d D U . . .
F2_21 F 0.3577(7) 0.6905(8) 0.7200(6) 0.043(3) Uani 1 1 d D U . . .
F3_21 F 0.3710(6) 0.8235(7) 0.7426(6) 0.046(3) Uani 1 1 d D U . . .
C3_21 C 0.1784(8) 0.6980(8) 0.6685(7) 0.030(3) Uani 1 1 d D U . . .
F4_21 F 0.0865(6) 0.6416(7) 0.6184(6) 0.042(3) Uani 1 1 d D U . . .
F5_21 F 0.1939(7) 0.7824(6) 0.7019(6) 0.047(3) Uani 1 1 d D U . . .
F6_21 F 0.1963(7) 0.6749(7) 0.7299(5) 0.035(2) Uani 1 1 d D U . . .
C4_21 C 0.2031(8) 0.5932(7) 0.5659(7) 0.027(3) Uani 1 1 d D U . . .
F7_21 F 0.1259(7) 0.5575(6) 0.4998(5) 0.041(3) Uani 1 1 d D U . . .
F8_21 F 0.1865(7) 0.5402(6) 0.6062(6) 0.038(2) Uani 1 1 d D U . . .
F9_21 F 0.2676(8) 0.5873(8) 0.5415(8) 0.053(3) Uani 1 1 d D U . . .
O1_20 O 0.3932(6) 0.3676(7) 0.4642(6) 0.019(2) Uani 1 1 d D U . . .
C1_20 C 0.3042(6) 0.3383(6) 0.4139(6) 0.016(2) Uani 1 1 d D U . . .
C2_20 C 0.3033(8) 0.3919(8) 0.3605(7) 0.022(3) Uani 1 1 d D U . . .
F1_20 F 0.3228(8) 0.4766(6) 0.4045(7) 0.049(3) Uani 1 1 d D U . . .
F2_20 F 0.2194(6) 0.3496(7) 0.2958(5) 0.037(2) Uani 1 1 d D U . . .
F3_20 F 0.3658(6) 0.4015(7) 0.3305(6) 0.037(2) Uani 1 1 d D U . . .
C3_20 C 0.2533(8) 0.2338(7) 0.3560(7) 0.029(3) Uani 1 1 d D U . . .
F4_20 F 0.2688(8) 0.1862(7) 0.3956(6) 0.043(3) Uani 1 1 d D U . . .
F5_20 F 0.2817(7) 0.2207(6) 0.2961(5) 0.046(3) Uani 1 1 d D U . . .
F6_20 F 0.1615(6) 0.1969(6) 0.3186(6) 0.042(3) Uani 1 1 d D U . . .
C4_20 C 0.2516(8) 0.3537(9) 0.4672(7) 0.036(3) Uani 1 1 d D U . . .
F7_20 F 0.2310(8) 0.2910(7) 0.4971(6) 0.054(3) Uani 1 1 d D U . . .
F8_20 F 0.1709(6) 0.3461(7) 0.4257(6) 0.045(3) Uani 1 1 d D U . . .
F9_20 F 0.3028(7) 0.4345(7) 0.5302(6) 0.055(3) Uani 1 1 d D U . . .
O1_19 O 0.5592(7) 0.5291(6) 0.4976(6) 0.017(2) Uani 1 1 d D U . . .
C1_19 C 0.5981(6) 0.6192(7) 0.5477(6) 0.012(2) Uani 1 1 d D U . . .
C2_19 C 0.6980(7) 0.6568(8) 0.6137(7) 0.020(3) Uani 1 1 d D U . . .
F1_19 F 0.6973(6) 0.6277(6) 0.6722(5) 0.031(2) Uani 1 1 d D U . . .
F2_19 F 0.7496(6) 0.7493(6) 0.6500(6) 0.030(2) Uani 1 1 d D U . . .
F3_19 F 0.7455(7) 0.6272(7) 0.5792(6) 0.038(3) Uani 1 1 d D U . . .
C3_19 C 0.6046(8) 0.6765(8) 0.4957(7) 0.0274(17) Uani 1 1 d D U . . .
F4_19 F 0.5226(6) 0.6326(6) 0.4300(5) 0.025(2) Uani 1 1 d D U . . .
F5_19 F 0.6703(6) 0.6830(6) 0.4704(6) 0.030(2) Uani 1 1 d D U . . .
F6_19 F 0.6219(6) 0.7606(5) 0.5387(5) 0.0274(17) Uani 1 1 d D U . . .
C4_19 C 0.5391(7) 0.6337(8) 0.5955(7) 0.019(3) Uani 1 1 d D U . . .
F7_19 F 0.4621(6) 0.6261(7) 0.5483(5) 0.029(2) Uani 1 1 d D U . . .
F8_19 F 0.5868(6) 0.7156(6) 0.6611(5) 0.032(2) Uani 1 1 d D U . . .
F9_19 F 0.5107(6) 0.5682(6) 0.6219(5) 0.032(2) Uani 1 1 d D U . . .
O1_18 O 0.5712(7) 0.4124(7) 0.5694(6) 0.018(2) Uani 1 1 d D U . . .
C1_18 C 0.5691(7) 0.3678(7) 0.6189(6) 0.022(2) Uani 1 1 d D U . . .
C2_18 C 0.5228(9) 0.3942(9) 0.6741(8) 0.035(2) Uani 1 1 d D U . . .
F1_18 F 0.5729(10) 0.4839(8) 0.7247(7) 0.080(4) Uani 1 1 d D U . . .
F2_18 F 0.5087(8) 0.3473(7) 0.7197(7) 0.050(3) Uani 1 1 d D U . . .
F3_18 F 0.4434(8) 0.3861(10) 0.6328(7) 0.075(4) Uani 1 1 d D U . . .
C3_18 C 0.5138(9) 0.2610(8) 0.5700(7) 0.035(2) Uani 1 1 d D U . . .
F4_18 F 0.5312(11) 0.2362(7) 0.5090(7) 0.098(5) Uani 1 1 d D U . . .
F5_18 F 0.4211(8) 0.2328(8) 0.5453(8) 0.074(4) Uani 1 1 d D U . . .
F6_18 F 0.5276(7) 0.2167(7) 0.6141(6) 0.047(3) Uani 1 1 d D U . . .
C4_18 C 0.6708(8) 0.3987(9) 0.6745(7) 0.031(3) Uani 1 1 d D U . . .
F7_18 F 0.7069(8) 0.3638(9) 0.6302(6) 0.063(3) Uani 1 1 d D U . . .
F8_18 F 0.6811(7) 0.3780(8) 0.7378(6) 0.047(3) Uani 1 1 d D U . . .
F9_18 F 0.7257(7) 0.4889(7) 0.7029(8) 0.059(3) Uani 1 1 d D U . . .
O1_17 O 0.5128(6) 0.3504(6) 0.3954(5) 0.014(2) Uani 1 1 d D U . . .
C1_17 C 0.5619(6) 0.3372(6) 0.3528(6) 0.014(2) Uani 1 1 d D U . . .
C2_17 C 0.6625(7) 0.3678(8) 0.4129(6) 0.022(3) Uani 1 1 d D U . . .
F1_17 F 0.7002(6) 0.4484(6) 0.4779(5) 0.030(2) Uani 1 1 d D U . . .
F2_17 F 0.7220(6) 0.3777(7) 0.3783(5) 0.036(2) Uani 1 1 d D U . . .
F3_17 F 0.6609(6) 0.3066(6) 0.4446(5) 0.033(2) Uani 1 1 d D U . . .
C3_17 C 0.5103(7) 0.2330(7) 0.2961(7) 0.024(3) Uani 1 1 d D U . . .
F4_17 F 0.4348(6) 0.2082(7) 0.2320(5) 0.039(3) Uani 1 1 d D U . . .
F5_17 F 0.4856(6) 0.1821(6) 0.3368(5) 0.032(2) Uani 1 1 d D U . . .
F6_17 F 0.5644(6) 0.2105(6) 0.2657(5) 0.037(2) Uani 1 1 d D U . . .
C4_17 C 0.5700(7) 0.3932(8) 0.2996(7) 0.021(3) Uani 1 1 d D U . . .
F7_17 F 0.4869(6) 0.3837(7) 0.2627(5) 0.035(2) Uani 1 1 d D U . . .
F8_17 F 0.5969(7) 0.3649(7) 0.2424(6) 0.040(3) Uani 1 1 d D U . . .
F9_17 F 0.6286(7) 0.4828(6) 0.3476(6) 0.041(3) Uani 1 1 d D U . . .
O1_16 O 0.5867(6) 0.5251(6) 1.0177(6) 0.013(2) Uani 1 1 d D U . . .
C1_16 C 0.6734(7) 0.5891(6) 1.0308(5) 0.013(2) Uani 1 1 d D U . . .
C2_16 C 0.7017(7) 0.5458(7) 0.9647(6) 0.019(2) Uani 1 1 d D U . . .
F1_16 F 0.7277(6) 0.4884(6) 0.9824(5) 0.0237(19) Uani 1 1 d D U . . .
F2_16 F 0.7736(6) 0.6104(6) 0.9609(5) 0.028(2) Uani 1 1 d D U . . .
F3_16 F 0.6296(5) 0.4982(5) 0.8906(5) 0.023(2) Uani 1 1 d D U . . .
C3_16 C 0.6775(8) 0.6781(7) 1.0268(7) 0.020(3) Uani 1 1 d D U . . .
F4_16 F 0.6290(6) 0.7026(6) 1.0649(5) 0.023(2) Uani 1 1 d D U . . .
F5_16 F 0.6376(6) 0.6640(6) 0.9490(5) 0.028(2) Uani 1 1 d D U . . .
F6_16 F 0.7639(6) 0.7506(5) 1.0620(6) 0.027(2) Uani 1 1 d D U . . .
C4_16 C 0.7443(7) 0.6163(7) 1.1173(6) 0.017(2) Uani 1 1 d D U . . .
F7_16 F 0.7379(6) 0.6744(6) 1.1752(4) 0.023(2) Uani 1 1 d D U . . .
F8_16 F 0.8344(5) 0.6584(6) 1.1274(5) 0.023(2) Uani 1 1 d D U . . .
F9_16 F 0.7291(5) 0.5426(5) 1.1328(5) 0.0209(19) Uani 1 1 d D U . . .
O1_15 O 0.4534(6) 0.5546(6) 1.0736(5) 0.0094(19) Uani 1 1 d D U . . .
C1_15 C 0.4469(6) 0.5645(6) 1.1462(6) 0.016(2) Uani 1 1 d D U . . .
C2_15 C 0.3642(7) 0.4761(7) 1.1373(7) 0.020(3) Uani 1 1 d D U . . .
F1_15 F 0.2900(6) 0.4411(6) 1.0672(5) 0.030(2) Uani 1 1 d D U . . .
F2_15 F 0.3397(6) 0.4912(6) 1.1983(5) 0.029(2) Uani 1 1 d D U . . .
F3_15 F 0.3879(6) 0.4111(6) 1.1350(5) 0.029(2) Uani 1 1 d D U . . .
C3_15 C 0.5391(7) 0.5868(8) 1.2132(6) 0.023(3) Uani 1 1 d D U . . .
F4_15 F 0.6059(6) 0.6731(6) 1.2361(6) 0.048(3) Uani 1 1 d D U . . .
F5_15 F 0.5689(6) 0.5315(7) 1.1836(5) 0.033(2) Uani 1 1 d D U . . .
F6_15 F 0.5289(6) 0.5774(7) 1.2800(5) 0.035(2) Uani 1 1 d D U . . .
C4_15 C 0.4282(8) 0.6453(7) 1.1730(7) 0.022(3) Uani 1 1 d D U . . .
F7_15 F 0.4834(8) 0.7161(6) 1.1610(6) 0.048(3) Uani 1 1 d D U . . .
F8_15 F 0.4410(7) 0.6747(6) 1.2504(5) 0.041(3) Uani 1 1 d D U . . .
F9_15 F 0.3396(7) 0.6187(7) 1.1264(6) 0.042(2) Uani 1 1 d D U . . .
O1_14 O 0.4085(5) 0.3775(5) 0.9713(5) 0.0076(8) Uani 1 1 d D U . . .
C1_14 C 0.3997(6) 0.2938(6) 0.9379(5) 0.010(2) Uani 1 1 d D U . . .
C2_14 C 0.4600(7) 0.2772(7) 1.0049(6) 0.014(2) Uani 1 1 d D U . . .
F1_14 F 0.5432(5) 0.3521(5) 1.0513(5) 0.024(2) Uani 1 1 d D U . . .
F2_14 F 0.4717(6) 0.2066(6) 0.9726(5) 0.025(2) Uani 1 1 d D U . . .
F3_14 F 0.4191(6) 0.2588(6) 1.0558(5) 0.022(2) Uani 1 1 d D U . . .
C3_14 C 0.2947(7) 0.2185(7) 0.9023(6) 0.015(2) Uani 1 1 d D U . . .
F4_14 F 0.2456(5) 0.2160(6) 0.8311(5) 0.026(2) Uani 1 1 d D U . . .
F5_14 F 0.2580(6) 0.2382(6) 0.9549(5) 0.024(2) Uani 1 1 d D U . . .
F6_14 F 0.2807(5) 0.1336(5) 0.8867(6) 0.027(2) Uani 1 1 d D U . . .
C4_14 C 0.4322(7) 0.2834(7) 0.8667(6) 0.017(2) Uani 1 1 d D U . . .
F7_14 F 0.4038(6) 0.3239(6) 0.8216(5) 0.024(2) Uani 1 1 d D U . . .
F8_14 F 0.3971(6) 0.1959(5) 0.8162(5) 0.022(2) Uani 1 1 d D U . . .
F9_14 F 0.5241(5) 0.3254(6) 0.8949(5) 0.0217(19) Uani 1 1 d D U . . .
O1_13 O 0.4350(6) 0.5191(6) 0.9137(5) 0.0120(19) Uani 1 1 d D U . . .
C1_13 C 0.3670(6) 0.5273(6) 0.8658(5) 0.009(2) Uani 1 1 d D U . . .
C2_13 C 0.2672(7) 0.4516(7) 0.8477(6) 0.014(2) Uani 1 1 d D U . . .
F1_13 F 0.2429(5) 0.3699(5) 0.7908(5) 0.0218(19) Uani 1 1 d D U . . .
F2_13 F 0.2019(5) 0.4719(6) 0.8218(5) 0.0195(18) Uani 1 1 d D U . . .
F3_13 F 0.2674(5) 0.4398(6) 0.9153(4) 0.0221(19) Uani 1 1 d D U . . .
C3_13 C 0.3790(7) 0.6246(7) 0.9081(6) 0.015(2) Uani 1 1 d D U . . .
F4_13 F 0.4699(5) 0.6895(5) 0.9437(5) 0.0195(19) Uani 1 1 d D U . . .
F5_13 F 0.3491(6) 0.6278(6) 0.9680(5) 0.0215(19) Uani 1 1 d D U . . .
F6_13 F 0.3332(6) 0.6454(6) 0.8545(5) 0.023(2) Uani 1 1 d D U . . .
C4_13 C 0.3750(7) 0.5170(7) 0.7826(6) 0.015(2) Uani 1 1 d D U . . .
F7_13 F 0.4487(5) 0.5918(5) 0.7928(5) 0.0211(19) Uani 1 1 d D U . . .
F8_13 F 0.2982(6) 0.4994(6) 0.7232(5) 0.023(2) Uani 1 1 d D U . . .
F9_13 F 0.3862(6) 0.4446(5) 0.7537(5) 0.0205(18) Uani 1 1 d D U . . .
O1_12 O 1.2512(5) 0.8576(6) 1.0152(5) 0.0123(19) Uani 1 1 d D U . . .
C1_12 C 1.3379(6) 0.9217(6) 1.0286(6) 0.011(2) Uani 1 1 d D U . . .
C2_12 C 1.4095(7) 0.9482(7) 1.1165(6) 0.015(2) Uani 1 1 d D U . . .
F1_12 F 1.4018(5) 1.0060(5) 1.1753(4) 0.0214(19) Uani 1 1 d D U . . .
F2_12 F 1.4980(5) 0.9896(6) 1.1263(5) 0.0213(19) Uani 1 1 d D U . . .
F3_12 F 1.3914(5) 0.8731(5) 1.1289(5) 0.025(2) Uani 1 1 d D U . . .
C3_12 C 1.3674(7) 0.8802(7) 0.9625(6) 0.020(3) Uani 1 1 d D U . . .
F4_12 F 1.2956(5) 0.8328(6) 0.8890(5) 0.026(2) Uani 1 1 d D U . . .
F5_12 F 1.3928(6) 0.8224(6) 0.9799(6) 0.031(2) Uani 1 1 d D U . . .
F6_12 F 1.4392(6) 0.9434(6) 0.9581(6) 0.031(2) Uani 1 1 d D U . . .
C4_12 C 1.3412(7) 1.0111(7) 1.0257(6) 0.018(2) Uani 1 1 d D U . . .
F7_12 F 1.3041(6) 0.9975(6) 0.9483(5) 0.026(2) Uani 1 1 d D U . . .
F8_12 F 1.4286(5) 1.0826(5) 1.0622(5) 0.0235(19) Uani 1 1 d D U . . .
F9_12 F 1.2926(6) 1.0329(6) 1.0639(5) 0.024(2) Uani 1 1 d D U . . .
O1_11 O 1.0977(6) 0.8471(6) 0.9080(5) 0.0101(18) Uani 1 1 d D U . . .
C1_11 C 1.0287(6) 0.8549(6) 0.8607(6) 0.013(2) Uani 1 1 d D U . . .
C2_11 C 1.0361(7) 0.8421(7) 0.7771(6) 0.016(2) Uani 1 1 d D U . . .
F1_11 F 1.1101(5) 0.9142(5) 0.7848(5) 0.0198(18) Uani 1 1 d D U . . .
F2_11 F 0.9594(6) 0.8285(7) 0.7201(5) 0.026(2) Uani 1 1 d D U . . .
F3_11 F 1.0449(5) 0.7683(5) 0.7491(5) 0.0214(18) Uani 1 1 d D U . . .
C3_11 C 0.9299(7) 0.7811(7) 0.8466(6) 0.013(2) Uani 1 1 d D U . . .
F4_11 F 0.9309(5) 0.7730(5) 0.9137(5) 0.0193(18) Uani 1 1 d D U . . .
F5_11 F 0.9033(5) 0.6986(5) 0.7898(5) 0.0191(19) Uani 1 1 d D U . . .
F6_11 F 0.8643(5) 0.8011(6) 0.8187(5) 0.0215(19) Uani 1 1 d D U . . .
C4_11 C 1.0438(7) 0.9531(7) 0.9024(6) 0.018(2) Uani 1 1 d D U . . .
F7_11 F 1.0143(6) 0.9599(6) 0.9623(5) 0.024(2) Uani 1 1 d D U . . .
F8_11 F 0.9982(6) 0.9752(6) 0.8505(5) 0.0201(19) Uani 1 1 d D U . . .
F9_11 F 1.1353(5) 1.0183(5) 0.9367(6) 0.027(2) Uani 1 1 d D U . . .
O1_10 O 1.0742(6) 0.7080(5) 0.9693(5) 0.015(2) Uani 1 1 d D U . . .
C1_10 C 1.0655(6) 0.6234(6) 0.9360(5) 0.011(2) Uani 1 1 d D U . . .
C2_10 C 0.9602(7) 0.5475(7) 0.9011(7) 0.016(2) Uani 1 1 d D U . . .
F1_10 F 0.9235(6) 0.5674(6) 0.9525(5) 0.027(2) Uani 1 1 d D U . . .
F2_10 F 0.9483(6) 0.4642(5) 0.8856(6) 0.030(2) Uani 1 1 d D U . . .
F3_10 F 0.9101(5) 0.5443(6) 0.8303(5) 0.024(2) Uani 1 1 d D U . . .
C3_10 C 1.0972(7) 0.6150(7) 0.8655(6) 0.015(2) Uani 1 1 d D U . . .
F4_10 F 1.1912(5) 0.6584(6) 0.8946(5) 0.0221(19) Uani 1 1 d D U . . .
F5_10 F 1.0690(6) 0.6526(6) 0.8192(5) 0.0227(19) Uani 1 1 d D U . . .
F6_10 F 1.0653(6) 0.5272(5) 0.8157(5) 0.022(2) Uani 1 1 d D U . . .
C4_10 C 1.1255(7) 0.6093(7) 1.0041(6) 0.016(2) Uani 1 1 d D U . . .
F7_10 F 1.2089(5) 0.6859(6) 1.0512(5) 0.026(2) Uani 1 1 d D U . . .
F8_10 F 1.1397(6) 0.5407(5) 0.9735(5) 0.025(2) Uani 1 1 d D U . . .
F9_10 F 1.0841(6) 0.5911(6) 1.0533(5) 0.022(2) Uani 1 1 d D U . . .
O1_9 O 1.1195(6) 0.8856(6) 1.0694(5) 0.015(2) Uani 1 1 d D U . . .
C1_9 C 1.1108(6) 0.8956(6) 1.1402(6) 0.016(2) Uani 1 1 d D U . . .
C2_9 C 1.0325(7) 0.8056(7) 1.1334(6) 0.020(3) Uani 1 1 d D U . . .
F1_9 F 0.9564(6) 0.7646(6) 1.0639(5) 0.030(2) Uani 1 1 d D U . . .
F2_9 F 1.0061(6) 0.8196(6) 1.1953(5) 0.028(2) Uani 1 1 d D U . . .
F3_9 F 1.0602(6) 0.7442(5) 1.1338(5) 0.029(2) Uani 1 1 d D U . . .
C3_9 C 1.2052(8) 0.9295(8) 1.2125(7) 0.030(3) Uani 1 1 d D U . . .
F4_9 F 1.2667(6) 1.0161(6) 1.2321(5) 0.036(2) Uani 1 1 d D U . . .
F5_9 F 1.2396(6) 0.8763(7) 1.1862(6) 0.039(2) Uani 1 1 d D U . . .
F6_9 F 1.1960(7) 0.9211(8) 1.2787(5) 0.046(3) Uani 1 1 d D U . . .
C4_9 C 1.0826(8) 0.9709(8) 1.1632(7) 0.027(3) Uani 1 1 d D U . . .
F7_9 F 1.1345(6) 1.0426(6) 1.1505(6) 0.032(2) Uani 1 1 d D U . . .
F8_9 F 1.0960(7) 1.0030(6) 1.2408(6) 0.042(3) Uani 1 1 d D U . . .
F9_9 F 0.9938(6) 0.9380(7) 1.1159(6) 0.039(2) Uani 1 1 d D U . . .
O1_8 O -0.0817(5) 0.1908(5) 0.0125(5) 0.0088(8) Uani 1 1 d D U . . .
C1_8 C 0.0047(6) 0.2552(6) 0.0262(6) 0.014(2) Uani 1 1 d D U . . .
C2_8 C 0.0768(7) 0.2813(7) 0.1129(6) 0.016(2) Uani 1 1 d D U . . .
F1_8 F 0.0705(5) 0.3381(5) 0.1708(5) 0.0228(19) Uani 1 1 d D U . . .
F2_8 F 0.1655(5) 0.3237(6) 0.1207(5) 0.023(2) Uani 1 1 d D U . . .
F3_8 F 0.0617(5) 0.2061(5) 0.1250(5) 0.0214(19) Uani 1 1 d D U . . .
C3_8 C 0.0333(7) 0.2146(7) -0.0408(6) 0.020(3) Uani 1 1 d D U . . .
F4_8 F -0.0381(6) 0.1693(6) -0.1148(5) 0.027(2) Uani 1 1 d D U . . .
F5_8 F 0.0576(6) 0.1555(6) -0.0263(5) 0.024(2) Uani 1 1 d D U . . .
F6_8 F 0.1061(6) 0.2807(6) -0.0430(6) 0.031(2) Uani 1 1 d D U . . .
C4_8 C 0.0069(8) 0.3439(7) 0.0241(7) 0.019(3) Uani 1 1 d D U . . .
F7_8 F -0.0292(6) 0.3338(6) -0.0532(5) 0.024(2) Uani 1 1 d D U . . .
F8_8 F 0.0941(6) 0.4166(6) 0.0609(6) 0.027(2) Uani 1 1 d D U . . .
F9_8 F -0.0416(6) 0.3662(6) 0.0616(5) 0.026(2) Uani 1 1 d D U . . .
O1_7 O -0.2353(6) 0.1818(6) -0.0926(5) 0.0134(19) Uani 1 1 d D U . . .
C1_7 C -0.3036(6) 0.1899(6) -0.1396(6) 0.012(2) Uani 1 1 d D U . . .
C2_7 C -0.2894(7) 0.2874(7) -0.0954(6) 0.018(2) Uani 1 1 d D U . . .
F1_7 F -0.3192(5) 0.2916(5) -0.0360(4) 0.0180(18) Uani 1 1 d D U . . .
F2_7 F -0.3360(5) 0.3101(6) -0.1476(5) 0.0225(18) Uani 1 1 d D U . . .
F3_7 F -0.1996(5) 0.3527(5) -0.0606(5) 0.026(2) Uani 1 1 d D U . . .
C3_7 C -0.2958(7) 0.1790(7) -0.2228(6) 0.017(2) Uani 1 1 d D U . . .
F4_7 F -0.2846(5) 0.1078(5) -0.2526(5) 0.0220(19) Uani 1 1 d D U . . .
F5_7 F -0.2219(6) 0.2558(5) -0.2112(5) 0.027(2) Uani 1 1 d D U . . .
F6_7 F -0.3710(6) 0.1659(7) -0.2789(5) 0.028(2) Uani 1 1 d D U . . .
C4_7 C -0.4027(7) 0.1148(7) -0.1578(7) 0.019(3) Uani 1 1 d D U . . .
F7_7 F -0.4294(6) 0.0333(6) -0.2150(5) 0.024(2) Uani 1 1 d D U . . .
F8_7 F -0.4690(5) 0.1345(6) -0.1832(5) 0.0194(19) Uani 1 1 d D U . . .
F9_7 F -0.4026(5) 0.1039(6) -0.0891(5) 0.025(2) Uani 1 1 d D U . . .
O1_5 O -0.2153(6) 0.2163(6) 0.0674(5) 0.014(2) Uani 1 1 d D U . . .
C1_5 C -0.2219(6) 0.2279(6) 0.1410(6) 0.014(2) Uani 1 1 d D U . . .
C2_5 C -0.2999(7) 0.1354(7) 0.1323(6) 0.021(3) Uani 1 1 d D U . . .
F1_5 F -0.3750(6) 0.0956(6) 0.0635(5) 0.034(2) Uani 1 1 d D U . . .
F2_5 F -0.3244(7) 0.1484(6) 0.1954(5) 0.039(3) Uani 1 1 d D U . . .
F3_5 F -0.2718(7) 0.0748(6) 0.1299(5) 0.036(2) Uani 1 1 d D U . . .
C3_5 C -0.1266(7) 0.2592(8) 0.2092(6) 0.022(3) Uani 1 1 d D U . . .
F4_5 F -0.0640(5) 0.3468(5) 0.2309(5) 0.029(2) Uani 1 1 d D U . . .
F5_5 F -0.0929(6) 0.2067(7) 0.1827(5) 0.030(2) Uani 1 1 d D U . . .
F6_5 F -0.1341(6) 0.2521(7) 0.2768(5) 0.039(3) Uani 1 1 d D U . . .
C4_5 C -0.2506(8) 0.3023(7) 0.1627(7) 0.025(3) Uani 1 1 d D U . . .
F7_5 F -0.1992(6) 0.3755(5) 0.1516(6) 0.031(2) Uani 1 1 d D U . . .
F8_5 F -0.2365(6) 0.3343(6) 0.2416(5) 0.029(2) Uani 1 1 d D U . . .
F9_5 F -0.3391(6) 0.2687(6) 0.1155(6) 0.033(2) Uani 1 1 d D U . . .
O1_4 O -0.0996(7) 0.1980(6) 0.5034(5) 0.015(2) Uani 1 1 d D U . . .
C1_4 C -0.0635(6) 0.2878(7) 0.5542(6) 0.018(2) Uani 1 1 d D U . . .
C2_4 C -0.1262(7) 0.2996(7) 0.5985(6) 0.021(3) Uani 1 1 d D U . . .
F1_4 F -0.2002(6) 0.2941(7) 0.5467(5) 0.029(2) Uani 1 1 d D U . . .
F2_4 F -0.0805(5) 0.3818(5) 0.6632(4) 0.0195(19) Uani 1 1 d D U . . .
F3_4 F -0.1547(6) 0.2341(6) 0.6246(5) 0.025(2) Uani 1 1 d D U . . .
C3_4 C 0.0369(7) 0.3268(7) 0.6202(6) 0.022(3) Uani 1 1 d D U . . .
F4_4 F 0.0862(6) 0.2989(7) 0.5874(6) 0.045(3) Uani 1 1 d D U . . .
F5_4 F 0.0293(6) 0.2957(6) 0.6768(5) 0.030(2) Uani 1 1 d D U . . .
F6_4 F 0.0851(6) 0.4184(5) 0.6572(5) 0.025(2) Uani 1 1 d D U . . .
C4_4 C -0.0558(8) 0.3430(7) 0.5010(7) 0.022(3) Uani 1 1 d D U . . .
F7_4 F 0.0125(7) 0.3524(7) 0.4771(6) 0.037(3) Uani 1 1 d D U . . .
F8_4 F -0.0414(7) 0.4262(5) 0.5406(5) 0.033(2) Uani 1 1 d D U . . .
F9_4 F -0.1347(6) 0.3003(6) 0.4337(5) 0.033(2) Uani 1 1 d D U . . .
O1_3 O -0.1513(6) 0.0185(6) 0.4016(6) 0.017(2) Uani 1 1 d D U . . .
C1_3 C -0.1016(7) 0.0113(6) 0.3574(6) 0.018(2) Uani 1 1 d D U . . .
C2_3 C 0.0029(7) 0.0470(7) 0.4128(6) 0.016(2) Uani 1 1 d D U . . .
F1_3 F 0.0376(6) 0.1247(6) 0.4773(5) 0.027(2) Uani 1 1 d D U . . .
F2_3 F 0.0577(6) 0.0615(6) 0.3730(5) 0.028(2) Uani 1 1 d D U . . .
F3_3 F 0.0069(6) -0.0145(6) 0.4381(6) 0.031(2) Uani 1 1 d D U . . .
C3_3 C -0.1502(7) -0.0929(7) 0.2977(7) 0.020(3) Uani 1 1 d D U . . .
F4_3 F -0.2314(6) -0.1195(6) 0.2378(5) 0.034(2) Uani 1 1 d D U . . .
F5_3 F -0.1730(6) -0.1458(6) 0.3356(5) 0.029(2) Uani 1 1 d D U . . .
F6_3 F -0.0985(6) -0.1125(6) 0.2637(6) 0.037(3) Uani 1 1 d D U . . .
C4_3 C -0.1017(8) 0.0666(8) 0.3050(7) 0.028(3) Uani 1 1 d D U . . .
F7_3 F -0.1870(6) 0.0555(7) 0.2741(6) 0.042(3) Uani 1 1 d D U . . .
F8_3 F -0.0795(7) 0.0410(7) 0.2441(6) 0.040(3) Uani 1 1 d D U . . .
F9_3 F -0.0426(7) 0.1567(6) 0.3525(6) 0.039(3) Uani 1 1 d D U . . .
O1_2 O -0.0924(6) 0.0803(6) 0.5746(5) 0.0111(19) Uani 1 1 d D U . . .
C1_2 C -0.0916(6) 0.0300(6) 0.6189(6) 0.013(2) Uani 1 1 d D U . . .
C2_2 C 0.0121(7) 0.0726(8) 0.6807(7) 0.021(3) Uani 1 1 d D U . . .
F1_2 F 0.0687(6) 0.0914(7) 0.6425(6) 0.038(3) Uani 1 1 d D U . . .
F2_2 F 0.0257(7) 0.0177(7) 0.7129(6) 0.038(2) Uani 1 1 d D U . . .
F3_2 F 0.0431(6) 0.1538(6) 0.7396(6) 0.035(2) Uani 1 1 d D U . . .
C3_2 C -0.1505(8) 0.0333(8) 0.6692(7) 0.024(3) Uani 1 1 d D U . . .
F4_2 F -0.2420(6) -0.0217(7) 0.6193(5) 0.036(2) Uani 1 1 d D U . . .
F5_2 F -0.1334(6) 0.1181(6) 0.7043(6) 0.037(2) Uani 1 1 d D U . . .
F6_2 F -0.1333(7) 0.0064(7) 0.7285(6) 0.035(2) Uani 1 1 d D U . . .
C4_2 C -0.1311(8) -0.0731(7) 0.5604(7) 0.026(3) Uani 1 1 d D U . . .
F7_2 F -0.2080(7) -0.1034(6) 0.4962(5) 0.037(2) Uani 1 1 d D U . . .
F8_2 F -0.1499(6) -0.1263(6) 0.6009(5) 0.029(2) Uani 1 1 d D U . . .
F9_2 F -0.0673(7) -0.0819(7) 0.5360(6) 0.040(3) Uani 1 1 d D U . . .
O1_1 O -0.2686(6) 0.0442(7) 0.4754(5) 0.016(2) Uani 1 1 d D U . . .
C1_1 C -0.3592(7) 0.0100(7) 0.4252(6) 0.026(3) Uani 1 1 d D U . . .
C2_1 C -0.4056(8) 0.0420(9) 0.4791(7) 0.036(3) Uani 1 1 d D U . . .
F1_1 F -0.3783(9) 0.0399(10) 0.5508(7) 0.072(4) Uani 1 1 d D U . . .
F2_1 F -0.4974(6) 0.0017(7) 0.4430(6) 0.043(3) Uani 1 1 d D U . . .
F3_1 F -0.3725(7) 0.1326(7) 0.5014(8) 0.064(3) Uani 1 1 d D U . . .
C3_1 C -0.3692(8) 0.0430(9) 0.3565(7) 0.035(3) Uani 1 1 d D U . . .
F4_1 F -0.3537(9) -0.0062(9) 0.2979(6) 0.063(3) Uani 1 1 d D U . . .
F5_1 F -0.3072(8) 0.1279(7) 0.3821(6) 0.072(4) Uani 1 1 d D U . . .
F6_1 F -0.4525(6) 0.0309(7) 0.3191(6) 0.046(3) Uani 1 1 d D U . . .
C4_1 C -0.4137(9) -0.0969(8) 0.3840(8) 0.042(4) Uani 1 1 d D U . . .
F7_1 F -0.3681(8) -0.1288(7) 0.3519(9) 0.086(4) Uani 1 1 d D U . . .
F8_1 F -0.4988(6) -0.1357(6) 0.3262(6) 0.034(2) Uani 1 1 d D U . . .
F9_1 F -0.4219(9) -0.1284(8) 0.4416(8) 0.086(4) Uani 1 1 d D U . . .
Cs1 Cs -0.07167(6) 0.53628(6) 0.12283(6) 0.0190(2) Uani 1 1 d . . . . .
Cs2 Cs 1.26136(7) 1.20318(7) 1.11972(7) 0.0195(2) Uani 1 1 d . . . . .
Cs3 Cs 0.59692(6) 0.87074(7) 1.11819(6) 0.0191(2) Uani 1 1 d . . . . .
Cs4 Cs -0.10549(7) 0.55109(7) 0.63956(6) 0.0205(3) Uani 1 1 d . . . . .
Cs5 Cs 0.24285(7) 0.23260(8) 0.63728(7) 0.0235(3) Uani 1 1 d . . . . .
Cs6 Cs 0.56616(11) 0.89440(11) 0.63205(7) 0.0242(3) Uani 1 1 d . . . . .
Al2 Al 0.4712(3) 0.4936(3) 0.9952(2) 0.0076(8) Uani 1 1 d . . . . .
Al3 Al 1.1354(3) 0.8245(3) 0.9918(2) 0.0089(8) Uani 1 1 d . . . . .
Al1 Al -0.1533(3) 0.0845(3) 0.4881(2) 0.0101(9) Uani 1 1 d . . . . .
Al4 Al -0.1975(3) 0.1576(3) -0.0109(2) 0.0088(8) Uani 1 1 d . . . . .
Al5 Al 0.1743(3) 0.7456(3) 0.4875(3) 0.0108(9) Uani 1 1 d . . . . .
Al6 Al 0.5087(3) 0.4151(3) 0.4814(2) 0.0134(10) Uani 1 1 d . . . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_6 C1_6 1.365(10) . ?
O1_6 Al4 1.738(10) . ?
C1_6 C3_6 1.559(11) . ?
C1_6 C2_6 1.561(11) . ?
C1_6 C4_6 1.567(10) . ?
C2_6 F2_6 1.326(11) . ?
C2_6 F1_6 1.330(11) . ?
C2_6 F3_6 1.334(10) . ?
F3_6 Cs3 3.181(8) 1_444 ?
C3_6 F4_6 1.320(11) . ?
C3_6 F6_6 1.337(11) . ?
C3_6 F5_6 1.337(11) . ?
F4_6 Cs6 3.653(10) 1_444 ?
F5_6 Cs3 3.331(9) 1_444 ?
C4_6 F7_6 1.317(11) . ?
C4_6 F8_6 1.322(10) . ?
C4_6 F9_6 1.328(10) . ?
F7_6 Cs6 3.268(8) 1_444 ?
O1_24 C1_24 1.352(10) . ?
O1_24 Al5 1.738(9) . ?
C1_24 C4_24 1.551(11) . ?
C1_24 C2_24 1.550(11) . ?
C1_24 C3_24 1.571(11) . ?
C2_24 F2_24 1.320(11) . ?
C2_24 F3_24 1.326(11) . ?
C2_24 F1_24 1.349(11) . ?
F1_24 Cs6 3.225(9) . ?
C3_24 F6_24 1.313(10) . ?
C3_24 F5_24 1.315(11) . ?
C3_24 F4_24 1.350(11) . ?
F4_24 Cs1 3.104(8) . ?
C4_24 F7_24 1.326(11) . ?
C4_24 F9_24 1.334(11) . ?
C4_24 F8_24 1.339(11) . ?
F7_24 Cs1 3.330(9) . ?
O1_23 C1_23 1.368(10) . ?
O1_23 Al5 1.718(9) . ?
C1_23 C3_23 1.551(11) . ?
C1_23 C2_23 1.553(11) . ?
C1_23 C4_23 1.557(10) . ?
C2_23 F1_23 1.320(11) . ?
C2_23 F3_23 1.324(11) . ?
C2_23 F2_23 1.348(11) . ?
F3_23 Cs6 3.402(9) . ?
C3_23 F4_23 1.319(11) . ?
C3_23 F6_23 1.334(10) . ?
C3_23 F5_23 1.336(10) . ?
F6_23 Cs5 3.095(8) 1_565 ?
C4_23 F9_23 1.316(11) . ?
C4_23 F7_23 1.326(11) . ?
C4_23 F8_23 1.368(10) . ?
F8_23 Cs5 3.454(9) 1_565 ?
O1_22 C1_22 1.357(10) . ?
O1_22 Al5 1.735(8) . ?
C1_22 C3_22 1.545(11) . ?
C1_22 C2_22 1.546(11) . ?
C1_22 C4_22 1.565(11) . ?
C2_22 F3_22 1.309(11) . ?
C2_22 F1_22 1.329(11) . ?
C2_22 F2_22 1.335(11) . ?
C3_22 F4_22 1.300(12) . ?
C3_22 F6_22 1.316(11) . ?
C3_22 F5_22 1.350(11) . ?
F5_22 Cs1 3.267(10) . ?
C4_22 F9_22 1.296(11) . ?
C4_22 F8_22 1.296(11) . ?
C4_22 F7_22 1.335(12) . ?
F7_22 Cs4 3.052(10) . ?
O1_21 C1_21 1.352(11) . ?
O1_21 Al5 1.733(9) . ?
C1_21 C4_21 1.552(11) . ?
C1_21 C3_21 1.556(11) . ?
C1_21 C2_21 1.559(11) . ?
C2_21 F2_21 1.316(11) . ?
C2_21 F1_21 1.329(11) . ?
C2_21 F3_21 1.339(11) . ?
F1_21 Cs6 3.033(9) . ?
C3_21 F5_21 1.315(11) . ?
C3_21 F6_21 1.319(11) . ?
C3_21 F4_21 1.343(11) . ?
F4_21 Cs4 3.224(8) . ?
C4_21 F7_21 1.310(11) . ?
C4_21 F9_21 1.335(11) . ?
C4_21 F8_21 1.338(11) . ?
O1_20 C1_20 1.352(10) . ?
O1_20 Al6 1.710(9) . ?
C1_20 C2_20 1.545(11) . ?
C1_20 C4_20 1.550(11) . ?
C1_20 C3_20 1.553(11) . ?
C2_20 F3_20 1.311(11) . ?
C2_20 F1_20 1.331(11) . ?
C2_20 F2_20 1.348(11) . ?
C3_20 F4_20 1.311(11) . ?
C3_20 F6_20 1.322(11) . ?
C3_20 F5_20 1.333(11) . ?
F5_20 Cs2 3.130(9) 1_444 ?
C4_20 F9_20 1.303(11) . ?
C4_20 F8_20 1.329(11) . ?
C4_20 F7_20 1.330(12) . ?
F7_20 Cs5 3.045(10) . ?
O1_19 C1_19 1.350(10) . ?
O1_19 Al6 1.723(9) . ?
C1_19 C2_19 1.558(11) . ?
C1_19 C4_19 1.563(10) . ?
C1_19 C3_19 1.567(11) . ?
C2_19 F1_19 1.326(11) . ?
C2_19 F3_19 1.336(11) . ?
C2_19 F2_19 1.339(11) . ?
F3_19 Cs4 3.410(9) 1_655 ?
C3_19 F5_19 1.311(11) . ?
C3_19 F6_19 1.332(11) . ?
C3_19 F4_19 1.334(11) . ?
F6_19 Cs6 3.141(8) . ?
C4_19 F7_19 1.312(11) . ?
C4_19 F9_19 1.335(11) . ?
C4_19 F8_19 1.337(11) . ?
F8_19 Cs6 3.454(9) . ?
O1_18 C1_18 1.362(11) . ?
O1_18 Al6 1.733(10) . ?
C1_18 C2_18 1.540(11) . ?
C1_18 C4_18 1.548(11) . ?
C1_18 C3_18 1.552(12) . ?
C2_18 F3_18 1.306(12) . ?
C2_18 F1_18 1.330(12) . ?
C2_18 F2_18 1.338(11) . ?
F3_18 Cs5 3.459(13) . ?
C3_18 F4_18 1.260(11) . ?
C3_18 F6_18 1.313(11) . ?
C3_18 F5_18 1.361(12) . ?
C4_18 F8_18 1.316(11) . ?
C4_18 F7_18 1.319(11) . ?
C4_18 F9_18 1.320(12) . ?
F7_18 Cs4 3.477(11) 1_655 ?
F9_18 Cs4 3.315(12) 1_655 ?
O1_17 C1_17 1.344(10) . ?
O1_17 Al6 1.729(9) . ?
C1_17 C3_17 1.542(11) . ?
C1_17 C2_17 1.560(11) . ?
C1_17 C4_17 1.570(11) . ?
C2_17 F2_17 1.328(10) . ?
C2_17 F1_17 1.339(11) . ?
C2_17 F3_17 1.352(11) . ?
F1_17 Cs4 3.218(8) 1_655 ?
C3_17 F4_17 1.320(11) . ?
C3_17 F5_17 1.337(11) . ?
C3_17 F6_17 1.339(11) . ?
F4_17 Cs2 3.108(8) 1_444 ?
C4_17 F8_17 1.323(11) . ?
C4_17 F9_17 1.326(11) . ?
C4_17 F7_17 1.329(11) . ?
F7_17 Cs2 3.494(9) 1_444 ?
O1_16 C1_16 1.361(10) . ?
O1_16 Al2 1.724(9) . ?
C1_16 C4_16 1.545(11) . ?
C1_16 C3_16 1.553(11) . ?
C1_16 C2_16 1.560(10) . ?
C2_16 F3_16 1.332(11) . ?
C2_16 F1_16 1.334(11) . ?
C2_16 F2_16 1.335(10) . ?
F1_16 Cs1 3.338(8) 1_656 ?
C3_16 F6_16 1.327(10) . ?
C3_16 F5_16 1.333(11) . ?
C3_16 F4_16 1.348(11) . ?
F4_16 Cs3 3.151(8) . ?
C4_16 F7_16 1.327(10) . ?
C4_16 F9_16 1.337(11) . ?
C4_16 F8_16 1.353(10) . ?
F8_16 Cs1 3.148(8) 1_656 ?
F9_16 Cs1 3.521(8) 1_656 ?
O1_15 C1_15 1.358(10) . ?
O1_15 Al2 1.736(8) . ?
C1_15 C2_15 1.552(11) . ?
C1_15 C3_15 1.553(11) . ?
C1_15 C4_15 1.554(11) . ?
C2_15 F2_15 1.312(10) . ?
C2_15 F1_15 1.327(11) . ?
C2_15 F3_15 1.347(11) . ?
F3_15 Cs2 3.287(8) 1_445 ?
C3_15 F5_15 1.325(11) . ?
C3_15 F4_15 1.334(11) . ?
C3_15 F6_15 1.347(10) . ?
C4_15 F8_15 1.316(11) . ?
C4_15 F9_15 1.341(11) . ?
C4_15 F7_15 1.344(11) . ?
F7_15 Cs3 3.090(8) . ?
O1_14 C1_14 1.352(10) . ?
O1_14 Al2 1.726(9) . ?
C1_14 C3_14 1.553(11) . ?
C1_14 C4_14 1.565(10) . ?
C1_14 C2_14 1.573(11) . ?
C2_14 F1_14 1.317(10) . ?
C2_14 F2_14 1.335(11) . ?
C2_14 F3_14 1.356(10) . ?
F3_14 Cs2 3.155(8) 1_445 ?
C3_14 F6_14 1.336(11) . ?
C3_14 F5_14 1.339(10) . ?
C3_14 F4_14 1.350(11) . ?
F4_14 Cs5 3.695(9) . ?
F5_14 Cs2 3.287(9) 1_445 ?
C4_14 F9_14 1.315(10) . ?
C4_14 F8_14 1.328(10) . ?
C4_14 F7_14 1.355(11) . ?
F7_14 Cs5 3.230(8) . ?
O1_13 C1_13 1.356(10) . ?
O1_13 Al2 1.729(9) . ?
C1_13 C2_13 1.561(10) . ?
C1_13 C4_13 1.563(10) . ?
C1_13 C3_13 1.567(11) . ?
C2_13 F2_13 1.320(11) . ?
C2_13 F3_13 1.333(10) . ?
C2_13 F1_13 1.342(10) . ?
F1_13 Cs5 3.192(7) . ?
C3_13 F6_13 1.327(11) . ?
C3_13 F4_13 1.337(10) . ?
C3_13 F5_13 1.345(10) . ?
F4_13 Cs3 3.230(7) . ?
C4_13 F7_13 1.327(10) . ?
C4_13 F8_13 1.333(10) . ?
C4_13 F9_13 1.343(11) . ?
F9_13 Cs5 3.157(8) . ?
O1_12 C1_12 1.361(10) . ?
O1_12 Al3 1.721(8) . ?
C1_12 C4_12 1.560(11) . ?
C1_12 C3_12 1.561(11) . ?
C1_12 C2_12 1.573(11) . ?
C2_12 F3_12 1.324(11) . ?
C2_12 F2_12 1.330(10) . ?
C2_12 F1_12 1.347(10) . ?
F2_12 Cs3 3.168(8) 1_655 ?
F3_12 Cs3 3.605(8) 1_655 ?
C3_12 F4_12 1.323(11) . ?
C3_12 F6_12 1.328(10) . ?
C3_12 F5_12 1.333(11) . ?
F5_12 Cs3 3.362(9) 1_655 ?
C4_12 F7_12 1.322(11) . ?
C4_12 F8_12 1.330(10) . ?
C4_12 F9_12 1.332(10) . ?
F9_12 Cs2 3.181(8) . ?
O1_11 C1_11 1.359(10) . ?
O1_11 Al3 1.741(9) . ?
C1_11 C4_11 1.557(11) . ?
C1_11 C2_11 1.560(10) . ?
C1_11 C3_11 1.561(11) . ?
C2_11 F1_11 1.323(10) . ?
C2_11 F2_11 1.338(11) . ?
C2_11 F3_11 1.340(11) . ?
F3_11 Cs4 3.220(8) 1_655 ?
C3_11 F4_11 1.295(10) . ?
C3_11 F6_11 1.331(11) . ?
C3_11 F5_11 1.338(10) . ?
F5_11 Cs4 3.167(7) 1_655 ?
C4_11 F8_11 1.322(11) . ?
C4_11 F7_11 1.342(10) . ?
C4_11 F9_11 1.346(11) . ?
F9_11 Cs2 3.349(8) . ?
O1_10 C1_10 1.366(10) . ?
O1_10 Al3 1.737(8) . ?
C1_10 C3_10 1.545(10) . ?
C1_10 C4_10 1.555(11) . ?
C1_10 C2_10 1.562(10) . ?
C2_10 F2_10 1.322(11) . ?
C2_10 F1_10 1.322(10) . ?
C2_10 F3_10 1.345(11) . ?
F1_10 Cs1 3.354(8) 1_656 ?
F3_10 Cs4 3.535(8) 1_655 ?
C3_10 F5_10 1.326(11) . ?
C3_10 F6_10 1.341(10) . ?
C3_10 F4_10 1.344(10) . ?
F5_10 Cs4 3.243(8) 1_655 ?
C4_10 F8_10 1.326(11) . ?
C4_10 F7_10 1.330(11) . ?
C4_10 F9_10 1.334(11) . ?
F9_10 Cs1 3.199(8) 1_656 ?
O1_9 C1_9 1.339(10) . ?
O1_9 Al3 1.706(9) . ?
C1_9 C2_9 1.553(11) . ?
C1_9 C3_9 1.560(11) . ?
C1_9 C4_9 1.570(11) . ?
C2_9 F1_9 1.321(11) . ?
C2_9 F3_9 1.338(11) . ?
C2_9 F2_9 1.346(10) . ?
F3_9 Cs1 3.340(7) 1_656 ?
C3_9 F6_9 1.325(11) . ?
C3_9 F4_9 1.325(11) . ?
C3_9 F5_9 1.341(11) . ?
C4_9 F8_9 1.318(11) . ?
C4_9 F9_9 1.320(11) . ?
C4_9 F7_9 1.343(11) . ?
F7_9 Cs2 3.102(8) . ?
O1_8 C1_8 1.358(10) . ?
O1_8 Al4 1.720(8) . ?
C1_8 C4_8 1.547(11) . ?
C1_8 C3_8 1.558(11) . ?
C1_8 C2_8 1.562(11) . ?
C2_8 F1_8 1.314(10) . ?
C2_8 F3_8 1.330(11) . ?
C2_8 F2_8 1.347(10) . ?
C2_8 Cs2 3.911(11) 1_444 ?
F2_8 Cs2 3.152(8) 1_444 ?
F3_8 Cs2 3.479(8) 1_444 ?
C3_8 F4_8 1.326(11) . ?
C3_8 F5_8 1.327(11) . ?
C3_8 F6_8 1.341(10) . ?
F5_8 Cs2 3.425(8) 1_444 ?
C4_8 F9_8 1.326(10) . ?
C4_8 F8_8 1.335(11) . ?
C4_8 F7_8 1.339(11) . ?
F9_8 Cs1 3.178(8) . ?
O1_7 C1_7 1.349(10) . ?
O1_7 Al4 1.725(10) . ?
C1_7 C4_7 1.549(11) . ?
C1_7 C3_7 1.560(10) . ?
C1_7 C2_7 1.561(11) . ?
C2_7 F3_7 1.326(10) . ?
C2_7 F1_7 1.333(10) . ?
C2_7 F2_7 1.343(11) . ?
F3_7 Cs1 3.344(8) . ?
C3_7 F6_7 1.316(11) . ?
C3_7 F4_7 1.329(11) . ?
C3_7 F5_7 1.338(10) . ?
F4_7 Cs6 3.185(8) 1_444 ?
C4_7 F7_7 1.328(11) . ?
C4_7 F8_7 1.328(11) . ?
C4_7 F9_7 1.346(11) . ?
F7_7 Cs6 3.160(8) 1_444 ?
O1_5 C1_5 1.372(10) . ?
O1_5 Al4 1.718(9) . ?
C1_5 C3_5 1.548(11) . ?
C1_5 C4_5 1.560(11) . ?
C1_5 C2_5 1.565(11) . ?
C2_5 F1_5 1.307(11) . ?
C2_5 F3_5 1.326(11) . ?
C2_5 F2_5 1.345(10) . ?
F3_5 Cs3 3.277(9) 1_444 ?
C3_5 F5_5 1.322(11) . ?
C3_5 F4_5 1.334(11) . ?
C3_5 F6_5 1.335(11) . ?
C4_5 F9_5 1.313(11) . ?
C4_5 F8_5 1.337(11) . ?
C4_5 F7_5 1.341(11) . ?
F7_5 Cs1 3.086(8) . ?
O1_4 C1_4 1.358(10) . ?
O1_4 Al1 1.720(9) . ?
C1_4 C4_4 1.556(11) . ?
C1_4 C3_4 1.557(11) . ?
C1_4 C2_4 1.563(11) . ?
C2_4 F1_4 1.327(11) . ?
C2_4 F3_4 1.332(11) . ?
C2_4 F2_4 1.334(10) . ?
F1_4 Cs4 3.773(10) . ?
F2_4 Cs4 3.285(8) . ?
C3_4 F6_4 1.326(11) . ?
C3_4 F5_4 1.327(11) . ?
C3_4 F4_4 1.331(11) . ?
F4_4 Cs5 3.351(9) . ?
C4_4 F9_4 1.322(11) . ?
C4_4 F8_4 1.324(11) . ?
C4_4 F7_4 1.329(11) . ?
F8_4 Cs4 3.191(8) . ?
O1_3 C1_3 1.352(10) . ?
O1_3 Al1 1.726(9) . ?
C1_3 C4_3 1.553(11) . ?
C1_3 C3_3 1.560(11) . ?
C1_3 C2_3 1.564(11) . ?
C2_3 F3_3 1.305(11) . ?
C2_3 F1_3 1.313(10) . ?
C2_3 F2_3 1.336(10) . ?
F1_3 Cs5 3.303(8) . ?
C3_3 F5_3 1.314(11) . ?
C3_3 F6_3 1.317(10) . ?
C3_3 F4_3 1.334(11) . ?
F4_3 Cs3 3.100(8) 1_444 ?
C4_3 F8_3 1.314(11) . ?
C4_3 F9_3 1.332(11) . ?
C4_3 F7_3 1.334(11) . ?
F7_3 Cs3 3.493(10) 1_444 ?
O1_2 C1_2 1.364(10) . ?
O1_2 Al1 1.713(9) . ?
C1_2 C3_2 1.558(10) . ?
C1_2 C2_2 1.561(11) . ?
C1_2 C4_2 1.565(11) . ?
C2_2 F3_2 1.317(11) . ?
C2_2 F2_2 1.326(11) . ?
C2_2 F1_2 1.342(11) . ?
F1_2 Cs5 3.072(8) . ?
C3_2 F5_2 1.318(11) . ?
C3_2 F6_2 1.326(11) . ?
C3_2 F4_2 1.336(11) . ?
F4_2 Cs6 3.133(8) 1_445 ?
C4_2 F7_2 1.309(11) . ?
C4_2 F9_2 1.341(11) . ?
C4_2 F8_2 1.348(11) . ?
O1_1 C1_1 1.352(11) . ?
O1_1 Al1 1.738(9) . ?
C1_1 C3_1 1.541(11) . ?
C1_1 C4_1 1.547(12) . ?
C1_1 C2_1 1.561(11) . ?
C2_1 F1_1 1.310(12) . ?
C2_1 F2_1 1.313(11) . ?
C2_1 F3_1 1.341(12) . ?
F1_1 Cs6 3.261(13) 1_445 ?
C3_1 F5_1 1.282(11) . ?
C3_1 F6_1 1.314(11) . ?
C3_1 F4_1 1.353(12) . ?
F4_1 Cs3 3.108(10) 1_444 ?
C4_1 F7_1 1.304(12) . ?
C4_1 F8_1 1.314(12) . ?
C4_1 F9_1 1.351(13) . ?
F9_1 Cs6 3.535(13) 1_445 ?
Cs1 F8_16 3.148(8) 1_454 ?
Cs1 F9_10 3.199(8) 1_454 ?
Cs1 F1_16 3.338(8) 1_454 ?
Cs1 F3_9 3.340(7) 1_454 ?
Cs1 F1_10 3.354(8) 1_454 ?
Cs1 F9_16 3.521(8) 1_454 ?
Cs2 F4_17 3.108(9) 1_666 ?
Cs2 F5_20 3.130(9) 1_666 ?
Cs2 F2_8 3.152(8) 1_666 ?
Cs2 F3_14 3.155(8) 1_665 ?
Cs2 F5_14 3.287(9) 1_665 ?
Cs2 F3_15 3.287(8) 1_665 ?
Cs2 F5_8 3.425(8) 1_666 ?
Cs2 F3_8 3.479(8) 1_666 ?
Cs2 F7_17 3.494(10) 1_666 ?
Cs3 F4_3 3.100(8) 1_666 ?
Cs3 F4_1 3.108(10) 1_666 ?
Cs3 F2_12 3.168(8) 1_455 ?
Cs3 F3_6 3.181(8) 1_666 ?
Cs3 F3_5 3.277(9) 1_666 ?
Cs3 F5_6 3.331(10) 1_666 ?
Cs3 F5_12 3.362(9) 1_455 ?
Cs3 F7_3 3.493(10) 1_666 ?
Cs3 F3_12 3.605(8) 1_455 ?
Cs4 F5_11 3.167(7) 1_455 ?
Cs4 F1_17 3.218(8) 1_455 ?
Cs4 F3_11 3.220(8) 1_455 ?
Cs4 F5_10 3.243(8) 1_455 ?
Cs4 F9_18 3.315(12) 1_455 ?
Cs4 F3_19 3.410(9) 1_455 ?
Cs4 F7_18 3.477(12) 1_455 ?
Cs4 F3_10 3.535(8) 1_455 ?
Cs5 F6_23 3.095(8) 1_545 ?
Cs5 F8_23 3.454(9) 1_545 ?
Cs6 F4_2 3.133(8) 1_665 ?
Cs6 F7_7 3.160(8) 1_666 ?
Cs6 F4_7 3.185(8) 1_666 ?
Cs6 F1_1 3.261(13) 1_665 ?
Cs6 F7_6 3.268(9) 1_666 ?
Cs6 F9_1 3.535(13) 1_665 ?
Cs6 F4_6 3.653(10) 1_666 ?

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_6 O1_6 Al4 147.2(7) . . ?
O1_6 C1_6 C3_6 107.1(8) . . ?
O1_6 C1_6 C2_6 109.3(8) . . ?
C3_6 C1_6 C2_6 110.9(8) . . ?
O1_6 C1_6 C4_6 110.9(8) . . ?
C3_6 C1_6 C4_6 108.4(7) . . ?
C2_6 C1_6 C4_6 110.2(8) . . ?
F2_6 C2_6 F1_6 108.3(9) . . ?
F2_6 C2_6 F3_6 108.8(9) . . ?
F1_6 C2_6 F3_6 107.5(9) . . ?
F2_6 C2_6 C1_6 111.2(8) . . ?
F1_6 C2_6 C1_6 110.3(8) . . ?
F3_6 C2_6 C1_6 110.6(8) . . ?
C2_6 F3_6 Cs3 161.3(7) . 1_444 ?
F4_6 C3_6 F6_6 108.4(10) . . ?
F4_6 C3_6 F5_6 107.5(9) . . ?
F6_6 C3_6 F5_6 105.7(9) . . ?
F4_6 C3_6 C1_6 112.4(9) . . ?
F6_6 C3_6 C1_6 111.4(8) . . ?
F5_6 C3_6 C1_6 111.2(8) . . ?
C3_6 F4_6 Cs6 147.1(7) . 1_444 ?
C3_6 F5_6 Cs3 135.1(7) . 1_444 ?
F7_6 C4_6 F8_6 107.5(9) . . ?
F7_6 C4_6 F9_6 107.2(9) . . ?
F8_6 C4_6 F9_6 108.6(9) . . ?
F7_6 C4_6 C1_6 110.4(8) . . ?
F8_6 C4_6 C1_6 113.0(9) . . ?
F9_6 C4_6 C1_6 109.9(8) . . ?
C4_6 F7_6 Cs6 131.7(6) . 1_444 ?
C1_24 O1_24 Al5 148.4(8) . . ?
O1_24 C1_24 C4_24 110.2(8) . . ?
O1_24 C1_24 C2_24 111.9(8) . . ?
C4_24 C1_24 C2_24 108.8(8) . . ?
O1_24 C1_24 C3_24 107.9(8) . . ?
C4_24 C1_24 C3_24 108.7(8) . . ?
C2_24 C1_24 C3_24 109.2(8) . . ?
F2_24 C2_24 F3_24 107.3(10) . . ?
F2_24 C2_24 F1_24 107.3(9) . . ?
F3_24 C2_24 F1_24 106.0(9) . . ?
F2_24 C2_24 C1_24 113.5(9) . . ?
F3_24 C2_24 C1_24 111.9(9) . . ?
F1_24 C2_24 C1_24 110.3(9) . . ?
C2_24 F1_24 Cs6 124.3(7) . . ?
F6_24 C3_24 F5_24 111.6(10) . . ?
F6_24 C3_24 F4_24 105.6(9) . . ?
F5_24 C3_24 F4_24 108.2(10) . . ?
F6_24 C3_24 C1_24 112.3(9) . . ?
F5_24 C3_24 C1_24 109.0(8) . . ?
F4_24 C3_24 C1_24 110.0(9) . . ?
C3_24 F4_24 Cs1 161.8(7) . . ?
F7_24 C4_24 F9_24 106.3(10) . . ?
F7_24 C4_24 F8_24 107.3(10) . . ?
F9_24 C4_24 F8_24 106.9(10) . . ?
F7_24 C4_24 C1_24 111.7(9) . . ?
F9_24 C4_24 C1_24 110.1(9) . . ?
F8_24 C4_24 C1_24 114.1(9) . . ?
C4_24 F7_24 Cs1 137.8(7) . . ?
C1_23 O1_23 Al5 148.7(7) . . ?
O1_23 C1_23 C3_23 107.9(8) . . ?
O1_23 C1_23 C2_23 109.3(8) . . ?
C3_23 C1_23 C2_23 110.1(8) . . ?
O1_23 C1_23 C4_23 110.5(8) . . ?
C3_23 C1_23 C4_23 109.7(8) . . ?
C2_23 C1_23 C4_23 109.3(8) . . ?
F1_23 C2_23 F3_23 108.0(10) . . ?
F1_23 C2_23 F2_23 106.3(10) . . ?
F3_23 C2_23 F2_23 105.8(9) . . ?
F1_23 C2_23 C1_23 111.1(9) . . ?
F3_23 C2_23 C1_23 111.8(9) . . ?
F2_23 C2_23 C1_23 113.4(10) . . ?
C2_23 F3_23 Cs6 134.6(8) . . ?
F4_23 C3_23 F6_23 107.9(10) . . ?
F4_23 C3_23 F5_23 107.7(9) . . ?
F6_23 C3_23 F5_23 107.2(9) . . ?
F4_23 C3_23 C1_23 110.5(8) . . ?
F6_23 C3_23 C1_23 112.0(8) . . ?
F5_23 C3_23 C1_23 111.4(8) . . ?
C3_23 F6_23 Cs5 159.3(7) . 1_565 ?
F9_23 C4_23 F7_23 108.0(9) . . ?
F9_23 C4_23 F8_23 107.3(9) . . ?
F7_23 C4_23 F8_23 106.0(9) . . ?
F9_23 C4_23 C1_23 112.1(8) . . ?
F7_23 C4_23 C1_23 112.3(8) . . ?
F8_23 C4_23 C1_23 110.8(8) . . ?
C4_23 F8_23 Cs5 122.7(7) . 1_565 ?
C1_22 O1_22 Al5 146.5(7) . . ?
O1_22 C1_22 C3_22 111.3(8) . . ?
O1_22 C1_22 C2_22 112.0(8) . . ?
C3_22 C1_22 C2_22 108.8(8) . . ?
O1_22 C1_22 C4_22 107.4(8) . . ?
C3_22 C1_22 C4_22 109.4(8) . . ?
C2_22 C1_22 C4_22 107.9(8) . . ?
F3_22 C2_22 F1_22 102.8(10) . . ?
F3_22 C2_22 F2_22 106.6(10) . . ?
F1_22 C2_22 F2_22 106.4(10) . . ?
F3_22 C2_22 C1_22 114.3(9) . . ?
F1_22 C2_22 C1_22 113.4(9) . . ?
F2_22 C2_22 C1_22 112.4(9) . . ?
F4_22 C3_22 F6_22 107.5(11) . . ?
F4_22 C3_22 F5_22 107.8(11) . . ?
F6_22 C3_22 F5_22 107.0(11) . . ?
F4_22 C3_22 C1_22 112.0(10) . . ?
F6_22 C3_22 C1_22 114.2(10) . . ?
F5_22 C3_22 C1_22 108.0(9) . . ?
C3_22 F5_22 Cs1 150.6(9) . . ?
F9_22 C4_22 F8_22 109.0(11) . . ?
F9_22 C4_22 F7_22 112.0(12) . . ?
F8_22 C4_22 F7_22 104.3(11) . . ?
F9_22 C4_22 C1_22 110.6(9) . . ?
F8_22 C4_22 C1_22 112.8(10) . . ?
F7_22 C4_22 C1_22 108.0(9) . . ?
C4_22 F7_22 Cs4 155.7(9) . . ?
C1_21 O1_21 Al5 146.4(7) . . ?
O1_21 C1_21 C4_21 111.1(8) . . ?
O1_21 C1_21 C3_21 110.9(8) . . ?
C4_21 C1_21 C3_21 108.0(8) . . ?
O1_21 C1_21 C2_21 107.8(8) . . ?
C4_21 C1_21 C2_21 109.6(8) . . ?
C3_21 C1_21 C2_21 109.4(8) . . ?
F2_21 C2_21 F1_21 108.3(10) . . ?
F2_21 C2_21 F3_21 108.4(10) . . ?
F1_21 C2_21 F3_21 107.3(10) . . ?
F2_21 C2_21 C1_21 113.0(9) . . ?
F1_21 C2_21 C1_21 109.3(9) . . ?
F3_21 C2_21 C1_21 110.4(9) . . ?
C2_21 F1_21 Cs6 148.8(8) . . ?
F5_21 C3_21 F6_21 105.6(10) . . ?
F5_21 C3_21 F4_21 108.0(10) . . ?
F6_21 C3_21 F4_21 107.3(10) . . ?
F5_21 C3_21 C1_21 109.9(9) . . ?
F6_21 C3_21 C1_21 113.9(9) . . ?
F4_21 C3_21 C1_21 111.8(9) . . ?
C3_21 F4_21 Cs4 136.7(7) . . ?
F7_21 C4_21 F9_21 107.8(11) . . ?
F7_21 C4_21 F8_21 108.2(10) . . ?
F9_21 C4_21 F8_21 106.6(10) . . ?
F7_21 C4_21 C1_21 112.2(9) . . ?
F9_21 C4_21 C1_21 109.4(9) . . ?
F8_21 C4_21 C1_21 112.3(9) . . ?
C1_20 O1_20 Al6 148.1(8) . . ?
O1_20 C1_20 C2_20 110.8(8) . . ?
O1_20 C1_20 C4_20 108.9(8) . . ?
C2_20 C1_20 C4_20 109.6(8) . . ?
O1_20 C1_20 C3_20 109.8(9) . . ?
C2_20 C1_20 C3_20 108.6(8) . . ?
C4_20 C1_20 C3_20 109.2(8) . . ?
F3_20 C2_20 F1_20 106.8(10) . . ?
F3_20 C2_20 F2_20 106.8(9) . . ?
F1_20 C2_20 F2_20 107.4(10) . . ?
F3_20 C2_20 C1_20 112.3(9) . . ?
F1_20 C2_20 C1_20 111.0(9) . . ?
F2_20 C2_20 C1_20 112.3(9) . . ?
F4_20 C3_20 F6_20 107.7(10) . . ?
F4_20 C3_20 F5_20 108.1(10) . . ?
F6_20 C3_20 F5_20 105.8(10) . . ?
F4_20 C3_20 C1_20 112.1(9) . . ?
F6_20 C3_20 C1_20 112.2(10) . . ?
F5_20 C3_20 C1_20 110.6(9) . . ?
C3_20 F5_20 Cs2 150.4(9) . 1_444 ?
F9_20 C4_20 F8_20 107.8(10) . . ?
F9_20 C4_20 F7_20 106.8(11) . . ?
F8_20 C4_20 F7_20 106.5(10) . . ?
F9_20 C4_20 C1_20 111.7(9) . . ?
F8_20 C4_20 C1_20 113.6(9) . . ?
F7_20 C4_20 C1_20 110.1(9) . . ?
C4_20 F7_20 Cs5 153.1(8) . . ?
C1_19 O1_19 Al6 150.0(8) . . ?
O1_19 C1_19 C2_19 110.3(8) . . ?
O1_19 C1_19 C4_19 111.4(8) . . ?
C2_19 C1_19 C4_19 106.8(8) . . ?
O1_19 C1_19 C3_19 109.7(8) . . ?
C2_19 C1_19 C3_19 109.6(8) . . ?
C4_19 C1_19 C3_19 108.9(8) . . ?
F1_19 C2_19 F3_19 105.0(9) . . ?
F1_19 C2_19 F2_19 108.1(9) . . ?
F3_19 C2_19 F2_19 106.5(9) . . ?
F1_19 C2_19 C1_19 113.5(9) . . ?
F3_19 C2_19 C1_19 110.5(9) . . ?
F2_19 C2_19 C1_19 112.8(9) . . ?
C2_19 F3_19 Cs4 133.6(7) . 1_655 ?
F5_19 C3_19 F6_19 109.8(9) . . ?
F5_19 C3_19 F4_19 108.7(9) . . ?
F6_19 C3_19 F4_19 108.0(10) . . ?
F5_19 C3_19 C1_19 110.1(9) . . ?
F6_19 C3_19 C1_19 111.6(9) . . ?
F4_19 C3_19 C1_19 108.6(9) . . ?
C3_19 F6_19 Cs6 151.9(7) . . ?
F7_19 C4_19 F9_19 105.5(10) . . ?
F7_19 C4_19 F8_19 107.9(9) . . ?
F9_19 C4_19 F8_19 107.6(9) . . ?
F7_19 C4_19 C1_19 112.1(8) . . ?
F9_19 C4_19 C1_19 110.2(8) . . ?
F8_19 C4_19 C1_19 113.1(9) . . ?
C4_19 F8_19 Cs6 117.0(7) . . ?
C1_18 O1_18 Al6 146.4(8) . . ?
O1_18 C1_18 C2_18 109.1(8) . . ?
O1_18 C1_18 C4_18 109.1(8) . . ?
C2_18 C1_18 C4_18 108.7(9) . . ?
O1_18 C1_18 C3_18 113.1(9) . . ?
C2_18 C1_18 C3_18 108.5(8) . . ?
C4_18 C1_18 C3_18 108.3(9) . . ?
F3_18 C2_18 F1_18 101.1(12) . . ?
F3_18 C2_18 F2_18 108.5(11) . . ?
F1_18 C2_18 F2_18 107.8(11) . . ?
F3_18 C2_18 C1_18 112.9(10) . . ?
F1_18 C2_18 C1_18 111.6(10) . . ?
F2_18 C2_18 C1_18 114.1(10) . . ?
C2_18 F3_18 Cs5 118.0(9) . . ?
F4_18 C3_18 F6_18 108.9(11) . . ?
F4_18 C3_18 F5_18 110.8(13) . . ?
F6_18 C3_18 F5_18 104.0(10) . . ?
F4_18 C3_18 C1_18 111.5(9) . . ?
F6_18 C3_18 C1_18 114.6(10) . . ?
F5_18 C3_18 C1_18 106.9(10) . . ?
F8_18 C4_18 F7_18 108.6(10) . . ?
F8_18 C4_18 F9_18 107.8(11) . . ?
F7_18 C4_18 F9_18 103.7(11) . . ?
F8_18 C4_18 C1_18 115.7(9) . . ?
F7_18 C4_18 C1_18 110.0(10) . . ?
F9_18 C4_18 C1_18 110.4(10) . . ?
C4_18 F7_18 Cs4 106.2(8) . 1_655 ?
C4_18 F9_18 Cs4 114.7(8) . 1_655 ?
C1_17 O1_17 Al6 149.9(8) . . ?
O1_17 C1_17 C3_17 107.8(8) . . ?
O1_17 C1_17 C2_17 110.2(8) . . ?
C3_17 C1_17 C2_17 108.8(8) . . ?
O1_17 C1_17 C4_17 111.2(8) . . ?
C3_17 C1_17 C4_17 109.7(8) . . ?
C2_17 C1_17 C4_17 109.0(8) . . ?
F2_17 C2_17 F1_17 107.1(9) . . ?
F2_17 C2_17 F3_17 107.5(9) . . ?
F1_17 C2_17 F3_17 105.4(9) . . ?
F2_17 C2_17 C1_17 113.7(9) . . ?
F1_17 C2_17 C1_17 111.3(9) . . ?
F3_17 C2_17 C1_17 111.4(8) . . ?
C2_17 F1_17 Cs4 127.9(6) . 1_655 ?
F4_17 C3_17 F5_17 109.3(10) . . ?
F4_17 C3_17 F6_17 106.3(9) . . ?
F5_17 C3_17 F6_17 106.8(9) . . ?
F4_17 C3_17 C1_17 111.2(9) . . ?
F5_17 C3_17 C1_17 111.4(9) . . ?
F6_17 C3_17 C1_17 111.6(9) . . ?
C3_17 F4_17 Cs2 162.0(7) . 1_444 ?
F8_17 C4_17 F9_17 110.0(10) . . ?
F8_17 C4_17 F7_17 108.4(9) . . ?
F9_17 C4_17 F7_17 106.2(10) . . ?
F8_17 C4_17 C1_17 112.6(9) . . ?
F9_17 C4_17 C1_17 110.3(9) . . ?
F7_17 C4_17 C1_17 109.0(8) . . ?
C4_17 F7_17 Cs2 137.0(7) . 1_444 ?
C1_16 O1_16 Al2 148.3(8) . . ?
O1_16 C1_16 C4_16 108.6(8) . . ?
O1_16 C1_16 C3_16 112.7(8) . . ?
C4_16 C1_16 C3_16 108.3(8) . . ?
O1_16 C1_16 C2_16 109.0(8) . . ?
C4_16 C1_16 C2_16 109.2(8) . . ?
C3_16 C1_16 C2_16 109.0(8) . . ?
F3_16 C2_16 F1_16 108.3(9) . . ?
F3_16 C2_16 F2_16 108.3(9) . . ?
F1_16 C2_16 F2_16 107.4(9) . . ?
F3_16 C2_16 C1_16 110.4(8) . . ?
F1_16 C2_16 C1_16 110.7(8) . . ?
F2_16 C2_16 C1_16 111.6(8) . . ?
C2_16 F1_16 Cs1 129.6(7) . 1_656 ?
F6_16 C3_16 F5_16 108.1(9) . . ?
F6_16 C3_16 F4_16 106.8(9) . . ?
F5_16 C3_16 F4_16 106.2(9) . . ?
F6_16 C3_16 C1_16 113.8(9) . . ?
F5_16 C3_16 C1_16 111.0(8) . . ?
F4_16 C3_16 C1_16 110.6(8) . . ?
C3_16 F4_16 Cs3 137.6(6) . . ?
F7_16 C4_16 F9_16 107.5(9) . . ?
F7_16 C4_16 F8_16 107.0(9) . . ?
F9_16 C4_16 F8_16 106.7(9) . . ?
F7_16 C4_16 C1_16 110.7(8) . . ?
F9_16 C4_16 C1_16 111.7(8) . . ?
F8_16 C4_16 C1_16 112.9(8) . . ?
C4_16 F8_16 Cs1 115.6(7) . 1_656 ?
C4_16 F9_16 Cs1 97.6(6) . 1_656 ?
C1_15 O1_15 Al2 146.0(8) . . ?
O1_15 C1_15 C2_15 111.8(8) . . ?
O1_15 C1_15 C3_15 111.0(8) . . ?
C2_15 C1_15 C3_15 108.6(8) . . ?
O1_15 C1_15 C4_15 107.1(8) . . ?
C2_15 C1_15 C4_15 108.3(8) . . ?
C3_15 C1_15 C4_15 109.9(8) . . ?
F2_15 C2_15 F1_15 108.5(9) . . ?
F2_15 C2_15 F3_15 107.2(9) . . ?
F1_15 C2_15 F3_15 107.5(9) . . ?
F2_15 C2_15 C1_15 113.0(9) . . ?
F1_15 C2_15 C1_15 110.1(9) . . ?
F3_15 C2_15 C1_15 110.3(8) . . ?
C2_15 F3_15 Cs2 128.3(6) . 1_445 ?
F5_15 C3_15 F4_15 107.2(10) . . ?
F5_15 C3_15 F6_15 107.6(10) . . ?
F4_15 C3_15 F6_15 109.2(9) . . ?
F5_15 C3_15 C1_15 110.8(8) . . ?
F4_15 C3_15 C1_15 109.2(9) . . ?
F6_15 C3_15 C1_15 112.6(8) . . ?
F8_15 C4_15 F9_15 107.6(9) . . ?
F8_15 C4_15 F7_15 109.5(10) . . ?
F9_15 C4_15 F7_15 106.2(10) . . ?
F8_15 C4_15 C1_15 112.5(9) . . ?
F9_15 C4_15 C1_15 110.5(9) . . ?
F7_15 C4_15 C1_15 110.4(8) . . ?
C4_15 F7_15 Cs3 175.0(9) . . ?
C1_14 O1_14 Al2 146.1(7) . . ?
O1_14 C1_14 C3_14 108.4(8) . . ?
O1_14 C1_14 C4_14 112.2(8) . . ?
C3_14 C1_14 C4_14 108.5(7) . . ?
O1_14 C1_14 C2_14 110.8(8) . . ?
C3_14 C1_14 C2_14 109.1(8) . . ?
C4_14 C1_14 C2_14 107.8(8) . . ?
F1_14 C2_14 F2_14 108.5(9) . . ?
F1_14 C2_14 F3_14 106.9(9) . . ?
F2_14 C2_14 F3_14 107.1(9) . . ?
F1_14 C2_14 C1_14 110.1(8) . . ?
F2_14 C2_14 C1_14 113.1(8) . . ?
F3_14 C2_14 C1_14 111.0(8) . . ?
C2_14 F3_14 Cs2 158.8(7) . 1_445 ?
F6_14 C3_14 F5_14 107.7(9) . . ?
F6_14 C3_14 F4_14 107.7(9) . . ?
F5_14 C3_14 F4_14 107.6(9) . . ?
F6_14 C3_14 C1_14 113.5(8) . . ?
F5_14 C3_14 C1_14 110.3(8) . . ?
F4_14 C3_14 C1_14 109.9(8) . . ?
C3_14 F4_14 Cs5 146.6(6) . . ?
C3_14 F5_14 Cs2 132.6(7) . 1_445 ?
F9_14 C4_14 F8_14 108.0(9) . . ?
F9_14 C4_14 F7_14 106.6(9) . . ?
F8_14 C4_14 F7_14 107.9(9) . . ?
F9_14 C4_14 C1_14 112.1(8) . . ?
F8_14 C4_14 C1_14 113.0(8) . . ?
F7_14 C4_14 C1_14 109.1(8) . . ?
C4_14 F7_14 Cs5 130.2(6) . . ?
C1_13 O1_13 Al2 146.1(7) . . ?
O1_13 C1_13 C2_13 111.4(8) . . ?
O1_13 C1_13 C4_13 108.6(7) . . ?
C2_13 C1_13 C4_13 109.1(7) . . ?
O1_13 C1_13 C3_13 111.1(8) . . ?
C2_13 C1_13 C3_13 108.5(7) . . ?
C4_13 C1_13 C3_13 108.1(8) . . ?
F2_13 C2_13 F3_13 108.4(8) . . ?
F2_13 C2_13 F1_13 108.6(9) . . ?
F3_13 C2_13 F1_13 106.3(9) . . ?
F2_13 C2_13 C1_13 112.9(8) . . ?
F3_13 C2_13 C1_13 110.1(8) . . ?
F1_13 C2_13 C1_13 110.4(8) . . ?
C2_13 F1_13 Cs5 156.6(6) . . ?
F6_13 C3_13 F4_13 108.2(9) . . ?
F6_13 C3_13 F5_13 109.5(9) . . ?
F4_13 C3_13 F5_13 107.1(8) . . ?
F6_13 C3_13 C1_13 112.1(8) . . ?
F4_13 C3_13 C1_13 109.6(8) . . ?
F5_13 C3_13 C1_13 110.2(8) . . ?
C3_13 F4_13 Cs3 131.7(6) . . ?
F7_13 C4_13 F8_13 109.3(9) . . ?
F7_13 C4_13 F9_13 107.8(8) . . ?
F8_13 C4_13 F9_13 105.4(8) . . ?
F7_13 C4_13 C1_13 111.0(8) . . ?
F8_13 C4_13 C1_13 113.4(8) . . ?
F9_13 C4_13 C1_13 109.7(8) . . ?
C4_13 F9_13 Cs5 132.9(6) . . ?
C1_12 O1_12 Al3 148.9(8) . . ?
O1_12 C1_12 C4_12 112.0(8) . . ?
O1_12 C1_12 C3_12 109.8(8) . . ?
C4_12 C1_12 C3_12 109.1(7) . . ?
O1_12 C1_12 C2_12 108.1(8) . . ?
C4_12 C1_12 C2_12 108.5(8) . . ?
C3_12 C1_12 C2_12 109.2(8) . . ?
F3_12 C2_12 F2_12 108.1(9) . . ?
F3_12 C2_12 F1_12 107.9(9) . . ?
F2_12 C2_12 F1_12 107.9(8) . . ?
F3_12 C2_12 C1_12 110.0(8) . . ?
F2_12 C2_12 C1_12 112.4(8) . . ?
F1_12 C2_12 C1_12 110.4(8) . . ?
C2_12 F2_12 Cs3 117.4(7) . 1_655 ?
C2_12 F3_12 Cs3 95.6(6) . 1_655 ?
F4_12 C3_12 F6_12 108.3(9) . . ?
F4_12 C3_12 F5_12 107.9(9) . . ?
F6_12 C3_12 F5_12 107.0(9) . . ?
F4_12 C3_12 C1_12 110.0(8) . . ?
F6_12 C3_12 C1_12 113.6(8) . . ?
F5_12 C3_12 C1_12 109.9(8) . . ?
C3_12 F5_12 Cs3 129.1(7) . 1_655 ?
F7_12 C4_12 F8_12 108.2(8) . . ?
F7_12 C4_12 F9_12 108.9(9) . . ?
F8_12 C4_12 F9_12 108.2(9) . . ?
F7_12 C4_12 C1_12 109.9(8) . . ?
F8_12 C4_12 C1_12 111.8(8) . . ?
F9_12 C4_12 C1_12 109.7(8) . . ?
C4_12 F9_12 Cs2 135.9(6) . . ?
C1_11 O1_11 Al3 145.0(7) . . ?
O1_11 C1_11 C4_11 110.3(8) . . ?
O1_11 C1_11 C2_11 107.1(8) . . ?
C4_11 C1_11 C2_11 108.2(8) . . ?
O1_11 C1_11 C3_11 111.2(8) . . ?
C4_11 C1_11 C3_11 109.2(8) . . ?
C2_11 C1_11 C3_11 110.7(8) . . ?
F1_11 C2_11 F2_11 108.3(9) . . ?
F1_11 C2_11 F3_11 107.3(8) . . ?
F2_11 C2_11 F3_11 108.0(9) . . ?
F1_11 C2_11 C1_11 112.1(8) . . ?
F2_11 C2_11 C1_11 111.5(8) . . ?
F3_11 C2_11 C1_11 109.5(8) . . ?
C2_11 F3_11 Cs4 132.9(6) . 1_655 ?
F4_11 C3_11 F6_11 108.6(9) . . ?
F4_11 C3_11 F5_11 107.9(9) . . ?
F6_11 C3_11 F5_11 106.7(9) . . ?
F4_11 C3_11 C1_11 111.3(8) . . ?
F6_11 C3_11 C1_11 112.1(8) . . ?
F5_11 C3_11 C1_11 110.0(8) . . ?
C3_11 F5_11 Cs4 159.1(6) . 1_655 ?
F8_11 C4_11 F7_11 106.7(9) . . ?
F8_11 C4_11 F9_11 107.2(9) . . ?
F7_11 C4_11 F9_11 107.4(9) . . ?
F8_11 C4_11 C1_11 113.2(9) . . ?
F7_11 C4_11 C1_11 111.0(8) . . ?
F9_11 C4_11 C1_11 111.1(8) . . ?
C4_11 F9_11 Cs2 128.9(6) . . ?
C1_10 O1_10 Al3 146.5(7) . . ?
O1_10 C1_10 C3_10 110.7(8) . . ?
O1_10 C1_10 C4_10 109.6(8) . . ?
C3_10 C1_10 C4_10 110.0(8) . . ?
O1_10 C1_10 C2_10 108.4(8) . . ?
C3_10 C1_10 C2_10 109.2(7) . . ?
C4_10 C1_10 C2_10 109.0(8) . . ?
F2_10 C2_10 F1_10 109.4(9) . . ?
F2_10 C2_10 F3_10 107.6(9) . . ?
F1_10 C2_10 F3_10 106.2(9) . . ?
F2_10 C2_10 C1_10 112.5(9) . . ?
F1_10 C2_10 C1_10 110.9(8) . . ?
F3_10 C2_10 C1_10 110.0(8) . . ?
C2_10 F1_10 Cs1 132.6(7) . 1_656 ?
C2_10 F3_10 Cs4 148.3(6) . 1_655 ?
F5_10 C3_10 F6_10 107.7(9) . . ?
F5_10 C3_10 F4_10 106.7(9) . . ?
F6_10 C3_10 F4_10 106.0(8) . . ?
F5_10 C3_10 C1_10 111.8(8) . . ?
F6_10 C3_10 C1_10 112.7(8) . . ?
F4_10 C3_10 C1_10 111.6(8) . . ?
C3_10 F5_10 Cs4 128.7(6) . 1_655 ?
F8_10 C4_10 F7_10 108.0(9) . . ?
F8_10 C4_10 F9_10 107.7(9) . . ?
F7_10 C4_10 F9_10 107.0(9) . . ?
F8_10 C4_10 C1_10 112.7(8) . . ?
F7_10 C4_10 C1_10 110.5(8) . . ?
F9_10 C4_10 C1_10 110.8(8) . . ?
C4_10 F9_10 Cs1 161.2(7) . 1_656 ?
C1_9 O1_9 Al3 147.1(8) . . ?
O1_9 C1_9 C2_9 112.6(8) . . ?
O1_9 C1_9 C3_9 111.6(8) . . ?
C2_9 C1_9 C3_9 109.4(8) . . ?
O1_9 C1_9 C4_9 108.6(8) . . ?
C2_9 C1_9 C4_9 106.8(7) . . ?
C3_9 C1_9 C4_9 107.5(8) . . ?
F1_9 C2_9 F3_9 106.5(9) . . ?
F1_9 C2_9 F2_9 107.0(9) . . ?
F3_9 C2_9 F2_9 106.7(9) . . ?
F1_9 C2_9 C1_9 111.5(9) . . ?
F3_9 C2_9 C1_9 111.4(8) . . ?
F2_9 C2_9 C1_9 113.3(8) . . ?
C2_9 F3_9 Cs1 124.4(6) . 1_656 ?
F6_9 C3_9 F4_9 110.3(10) . . ?
F6_9 C3_9 F5_9 106.6(10) . . ?
F4_9 C3_9 F5_9 108.1(10) . . ?
F6_9 C3_9 C1_9 113.8(9) . . ?
F4_9 C3_9 C1_9 110.2(9) . . ?
F5_9 C3_9 C1_9 107.6(9) . . ?
F8_9 C4_9 F9_9 108.5(10) . . ?
F8_9 C4_9 F7_9 107.7(10) . . ?
F9_9 C4_9 F7_9 107.1(10) . . ?
F8_9 C4_9 C1_9 112.9(9) . . ?
F9_9 C4_9 C1_9 111.1(9) . . ?
F7_9 C4_9 C1_9 109.3(8) . . ?
C4_9 F7_9 Cs2 176.7(7) . . ?
C1_8 O1_8 Al4 148.6(7) . . ?
O1_8 C1_8 C4_8 111.6(8) . . ?
O1_8 C1_8 C3_8 109.5(8) . . ?
C4_8 C1_8 C3_8 109.0(8) . . ?
O1_8 C1_8 C2_8 108.8(8) . . ?
C4_8 C1_8 C2_8 108.6(8) . . ?
C3_8 C1_8 C2_8 109.2(8) . . ?
F1_8 C2_8 F3_8 109.3(9) . . ?
F1_8 C2_8 F2_8 107.7(8) . . ?
F3_8 C2_8 F2_8 107.3(9) . . ?
F1_8 C2_8 C1_8 110.2(8) . . ?
F3_8 C2_8 C1_8 110.8(8) . . ?
F2_8 C2_8 C1_8 111.4(8) . . ?
F1_8 C2_8 Cs2 131.7(7) . 1_444 ?
F3_8 C2_8 Cs2 61.5(5) . 1_444 ?
F2_8 C2_8 Cs2 47.1(5) . 1_444 ?
C1_8 C2_8 Cs2 117.3(6) . 1_444 ?
C2_8 F2_8 Cs2 114.7(7) . 1_444 ?
C2_8 F3_8 Cs2 98.9(6) . 1_444 ?
F4_8 C3_8 F5_8 107.7(9) . . ?
F4_8 C3_8 F6_8 108.2(9) . . ?
F5_8 C3_8 F6_8 107.7(9) . . ?
F4_8 C3_8 C1_8 110.5(8) . . ?
F5_8 C3_8 C1_8 110.6(8) . . ?
F6_8 C3_8 C1_8 112.0(8) . . ?
C3_8 F5_8 Cs2 128.2(7) . 1_444 ?
F9_8 C4_8 F8_8 107.3(9) . . ?
F9_8 C4_8 F7_8 107.6(9) . . ?
F8_8 C4_8 F7_8 106.2(9) . . ?
F9_8 C4_8 C1_8 111.4(9) . . ?
F8_8 C4_8 C1_8 112.3(9) . . ?
F7_8 C4_8 C1_8 111.7(9) . . ?
C4_8 F9_8 Cs1 137.8(7) . . ?
C1_7 O1_7 Al4 146.0(7) . . ?
O1_7 C1_7 C4_7 112.0(8) . . ?
O1_7 C1_7 C3_7 107.8(8) . . ?
C4_7 C1_7 C3_7 108.8(8) . . ?
O1_7 C1_7 C2_7 109.8(8) . . ?
C4_7 C1_7 C2_7 109.2(7) . . ?
C3_7 C1_7 C2_7 109.3(8) . . ?
F3_7 C2_7 F1_7 107.2(9) . . ?
F3_7 C2_7 F2_7 107.1(9) . . ?
F1_7 C2_7 F2_7 107.4(8) . . ?
F3_7 C2_7 C1_7 111.3(8) . . ?
F1_7 C2_7 C1_7 111.5(8) . . ?
F2_7 C2_7 C1_7 112.2(8) . . ?
C2_7 F3_7 Cs1 130.3(6) . . ?
F6_7 C3_7 F4_7 107.9(9) . . ?
F6_7 C3_7 F5_7 107.9(9) . . ?
F4_7 C3_7 F5_7 108.6(8) . . ?
F6_7 C3_7 C1_7 111.7(8) . . ?
F4_7 C3_7 C1_7 111.1(8) . . ?
F5_7 C3_7 C1_7 109.6(8) . . ?
C3_7 F4_7 Cs6 131.2(6) . 1_444 ?
F7_7 C4_7 F8_7 106.9(9) . . ?
F7_7 C4_7 F9_7 107.2(9) . . ?
F8_7 C4_7 F9_7 107.0(9) . . ?
F7_7 C4_7 C1_7 111.8(8) . . ?
F8_7 C4_7 C1_7 113.7(9) . . ?
F9_7 C4_7 C1_7 109.9(8) . . ?
C4_7 F7_7 Cs6 156.8(7) . 1_444 ?
C1_5 O1_5 Al4 148.3(8) . . ?
O1_5 C1_5 C3_5 110.1(8) . . ?
O1_5 C1_5 C4_5 107.8(8) . . ?
C3_5 C1_5 C4_5 110.6(8) . . ?
O1_5 C1_5 C2_5 110.1(8) . . ?
C3_5 C1_5 C2_5 109.8(8) . . ?
C4_5 C1_5 C2_5 108.4(8) . . ?
F1_5 C2_5 F3_5 105.9(9) . . ?
F1_5 C2_5 F2_5 108.7(9) . . ?
F3_5 C2_5 F2_5 107.3(10) . . ?
F1_5 C2_5 C1_5 111.3(9) . . ?
F3_5 C2_5 C1_5 111.4(9) . . ?
F2_5 C2_5 C1_5 112.0(8) . . ?
C2_5 F3_5 Cs3 122.5(7) . 1_444 ?
F5_5 C3_5 F4_5 108.4(9) . . ?
F5_5 C3_5 F6_5 106.9(10) . . ?
F4_5 C3_5 F6_5 107.9(9) . . ?
F5_5 C3_5 C1_5 110.1(8) . . ?
F4_5 C3_5 C1_5 111.0(9) . . ?
F6_5 C3_5 C1_5 112.4(9) . . ?
F9_5 C4_5 F8_5 109.0(9) . . ?
F9_5 C4_5 F7_5 107.4(10) . . ?
F8_5 C4_5 F7_5 106.6(9) . . ?
F9_5 C4_5 C1_5 111.0(9) . . ?
F8_5 C4_5 C1_5 111.6(9) . . ?
F7_5 C4_5 C1_5 111.0(8) . . ?
C4_5 F7_5 Cs1 175.3(7) . . ?
C1_4 O1_4 Al1 147.6(8) . . ?
O1_4 C1_4 C4_4 107.7(8) . . ?
O1_4 C1_4 C3_4 109.6(8) . . ?
C4_4 C1_4 C3_4 108.4(8) . . ?
O1_4 C1_4 C2_4 111.8(8) . . ?
C4_4 C1_4 C2_4 110.0(8) . . ?
C3_4 C1_4 C2_4 109.1(8) . . ?
F1_4 C2_4 F3_4 109.5(9) . . ?
F1_4 C2_4 F2_4 107.0(9) . . ?
F3_4 C2_4 F2_4 108.4(9) . . ?
F1_4 C2_4 C1_4 109.6(9) . . ?
F3_4 C2_4 C1_4 110.2(8) . . ?
F2_4 C2_4 C1_4 112.0(8) . . ?
C2_4 F1_4 Cs4 94.8(6) . . ?
C2_4 F2_4 Cs4 119.0(7) . . ?
F6_4 C3_4 F5_4 108.4(9) . . ?
F6_4 C3_4 F4_4 108.0(9) . . ?
F5_4 C3_4 F4_4 107.7(10) . . ?
F6_4 C3_4 C1_4 112.3(9) . . ?
F5_4 C3_4 C1_4 108.7(8) . . ?
F4_4 C3_4 C1_4 111.6(9) . . ?
C3_4 F4_4 Cs5 138.8(8) . . ?
F9_4 C4_4 F8_4 106.0(10) . . ?
F9_4 C4_4 F7_4 107.1(9) . . ?
F8_4 C4_4 F7_4 108.4(9) . . ?
F9_4 C4_4 C1_4 110.7(9) . . ?
F8_4 C4_4 C1_4 112.0(9) . . ?
F7_4 C4_4 C1_4 112.2(9) . . ?
C4_4 F8_4 Cs4 148.8(7) . . ?
C1_3 O1_3 Al1 147.1(8) . . ?
O1_3 C1_3 C4_3 111.1(8) . . ?
O1_3 C1_3 C3_3 107.5(8) . . ?
C4_3 C1_3 C3_3 108.3(8) . . ?
O1_3 C1_3 C2_3 112.7(8) . . ?
C4_3 C1_3 C2_3 108.0(8) . . ?
C3_3 C1_3 C2_3 109.2(8) . . ?
F3_3 C2_3 F1_3 108.9(9) . . ?
F3_3 C2_3 F2_3 107.2(9) . . ?
F1_3 C2_3 F2_3 108.2(9) . . ?
F3_3 C2_3 C1_3 109.4(8) . . ?
F1_3 C2_3 C1_3 110.2(8) . . ?
F2_3 C2_3 C1_3 112.9(8) . . ?
C2_3 F1_3 Cs5 126.1(7) . . ?
F5_3 C3_3 F6_3 107.9(10) . . ?
F5_3 C3_3 F4_3 104.9(9) . . ?
F6_3 C3_3 F4_3 108.4(9) . . ?
F5_3 C3_3 C1_3 111.3(9) . . ?
F6_3 C3_3 C1_3 113.5(9) . . ?
F4_3 C3_3 C1_3 110.4(9) . . ?
C3_3 F4_3 Cs3 165.7(7) . 1_444 ?
F8_3 C4_3 F9_3 108.9(10) . . ?
F8_3 C4_3 F7_3 108.8(10) . . ?
F9_3 C4_3 F7_3 106.5(10) . . ?
F8_3 C4_3 C1_3 113.3(9) . . ?
F9_3 C4_3 C1_3 110.3(9) . . ?
F7_3 C4_3 C1_3 108.8(9) . . ?
C4_3 F7_3 Cs3 133.3(8) . 1_444 ?
C1_2 O1_2 Al1 146.7(7) . . ?
O1_2 C1_2 C3_2 111.7(8) . . ?
O1_2 C1_2 C2_2 108.1(8) . . ?
C3_2 C1_2 C2_2 108.3(8) . . ?
O1_2 C1_2 C4_2 110.4(8) . . ?
C3_2 C1_2 C4_2 109.0(8) . . ?
C2_2 C1_2 C4_2 109.3(8) . . ?
F3_2 C2_2 F2_2 110.3(10) . . ?
F3_2 C2_2 F1_2 103.9(9) . . ?
F2_2 C2_2 F1_2 107.2(10) . . ?
F3_2 C2_2 C1_2 111.2(9) . . ?
F2_2 C2_2 C1_2 113.8(9) . . ?
F1_2 C2_2 C1_2 109.9(9) . . ?
C2_2 F1_2 Cs5 148.6(8) . . ?
F5_2 C3_2 F6_2 106.9(10) . . ?
F5_2 C3_2 F4_2 108.3(10) . . ?
F6_2 C3_2 F4_2 107.0(10) . . ?
F5_2 C3_2 C1_2 110.2(8) . . ?
F6_2 C3_2 C1_2 114.1(9) . . ?
F4_2 C3_2 C1_2 110.0(8) . . ?
C3_2 F4_2 Cs6 138.9(6) . 1_445 ?
F7_2 C4_2 F9_2 109.9(10) . . ?
F7_2 C4_2 F8_2 109.2(10) . . ?
F9_2 C4_2 F8_2 106.3(9) . . ?
F7_2 C4_2 C1_2 110.4(9) . . ?
F9_2 C4_2 C1_2 110.8(9) . . ?
F8_2 C4_2 C1_2 110.2(8) . . ?
C1_1 O1_1 Al1 148.5(8) . . ?
O1_1 C1_1 C3_1 112.8(9) . . ?
O1_1 C1_1 C4_1 111.0(9) . . ?
C3_1 C1_1 C4_1 108.0(9) . . ?
O1_1 C1_1 C2_1 107.9(8) . . ?
C3_1 C1_1 C2_1 109.2(9) . . ?
C4_1 C1_1 C2_1 107.8(9) . . ?
F1_1 C2_1 F2_1 110.8(11) . . ?
F1_1 C2_1 F3_1 101.7(11) . . ?
F2_1 C2_1 F3_1 106.0(11) . . ?
F1_1 C2_1 C1_1 112.9(10) . . ?
F2_1 C2_1 C1_1 115.7(10) . . ?
F3_1 C2_1 C1_1 108.5(9) . . ?
C2_1 F1_1 Cs6 139.3(10) . 1_445 ?
F5_1 C3_1 F6_1 108.7(11) . . ?
F5_1 C3_1 F4_1 105.8(11) . . ?
F6_1 C3_1 F4_1 106.4(11) . . ?
F5_1 C3_1 C1_1 112.3(10) . . ?
F6_1 C3_1 C1_1 114.9(10) . . ?
F4_1 C3_1 C1_1 108.1(9) . . ?
C3_1 F4_1 Cs3 154.1(9) . 1_444 ?
F7_1 C4_1 F8_1 107.7(11) . . ?
F7_1 C4_1 F9_1 105.6(12) . . ?
F8_1 C4_1 F9_1 107.2(11) . . ?
F7_1 C4_1 C1_1 111.3(10) . . ?
F8_1 C4_1 C1_1 115.0(10) . . ?
F9_1 C4_1 C1_1 109.5(10) . . ?
C4_1 F9_1 Cs6 152.0(10) . 1_445 ?
F7_5 Cs1 F4_24 87.2(3) . . ?
F7_5 Cs1 F8_16 103.9(2) . 1_454 ?
F4_24 Cs1 F8_16 139.0(2) . 1_454 ?
F7_5 Cs1 F9_8 69.6(2) . . ?
F4_24 Cs1 F9_8 60.6(2) . . ?
F8_16 Cs1 F9_8 160.2(2) 1_454 . ?
F7_5 Cs1 F9_10 141.1(2) . 1_454 ?
F4_24 Cs1 F9_10 73.2(2) . 1_454 ?
F8_16 Cs1 F9_10 113.0(2) 1_454 1_454 ?
F9_8 Cs1 F9_10 71.5(2) . 1_454 ?
F7_5 Cs1 F5_22 57.4(2) . . ?
F4_24 Cs1 F5_22 60.9(3) . . ?
F8_16 Cs1 F5_22 91.9(3) 1_454 . ?
F9_8 Cs1 F5_22 99.5(3) . . ?
F9_10 Cs1 F5_22 130.3(3) 1_454 . ?
F7_5 Cs1 F7_24 123.5(2) . . ?
F4_24 Cs1 F7_24 48.8(2) . . ?
F8_16 Cs1 F7_24 94.8(2) 1_454 . ?
F9_8 Cs1 F7_24 104.4(2) . . ?
F9_10 Cs1 F7_24 66.4(2) 1_454 . ?
F5_22 Cs1 F7_24 69.4(3) . . ?
F7_5 Cs1 F1_16 84.7(2) . 1_454 ?
F4_24 Cs1 F1_16 168.1(2) . 1_454 ?
F8_16 Cs1 F1_16 51.98(19) 1_454 1_454 ?
F9_8 Cs1 F1_16 108.2(2) . 1_454 ?
F9_10 Cs1 F1_16 108.3(2) 1_454 1_454 ?
F5_22 Cs1 F1_16 120.6(2) . 1_454 ?
F7_24 Cs1 F1_16 143.0(2) . 1_454 ?
F7_5 Cs1 F3_9 164.4(2) . 1_454 ?
F4_24 Cs1 F3_9 94.0(2) . 1_454 ?
F8_16 Cs1 F3_9 65.41(19) 1_454 1_454 ?
F9_8 Cs1 F3_9 124.3(2) . 1_454 ?
F9_10 Cs1 F3_9 53.2(2) 1_454 1_454 ?
F5_22 Cs1 F3_9 110.0(2) . 1_454 ?
F7_24 Cs1 F3_9 50.0(2) . 1_454 ?
F1_16 Cs1 F3_9 96.1(2) 1_454 1_454 ?
F7_5 Cs1 F3_7 73.8(2) . . ?
F4_24 Cs1 F3_7 113.7(2) . . ?
F8_16 Cs1 F3_7 107.3(2) 1_454 . ?
F9_8 Cs1 F3_7 53.1(2) . . ?
F9_10 Cs1 F3_7 83.6(2) 1_454 . ?
F5_22 Cs1 F3_7 130.7(2) . . ?
F7_24 Cs1 F3_7 148.1(2) . . ?
F1_16 Cs1 F3_7 55.56(19) 1_454 . ?
F3_9 Cs1 F3_7 119.4(2) 1_454 . ?
F7_5 Cs1 F1_10 132.9(2) . 1_454 ?
F4_24 Cs1 F1_10 121.2(2) . 1_454 ?
F8_16 Cs1 F1_10 79.4(2) 1_454 1_454 ?
F9_8 Cs1 F1_10 91.4(2) . 1_454 ?
F9_10 Cs1 F1_10 48.4(2) 1_454 1_454 ?
F5_22 Cs1 F1_10 167.8(2) . 1_454 ?
F7_24 Cs1 F1_10 102.6(2) . 1_454 ?
F1_16 Cs1 F1_10 60.1(2) 1_454 1_454 ?
F3_9 Cs1 F1_10 58.7(2) 1_454 1_454 ?
F3_7 Cs1 F1_10 60.9(2) . 1_454 ?
F7_5 Cs1 F9_16 67.0(2) . 1_454 ?
F4_24 Cs1 F9_16 136.8(2) . 1_454 ?
F8_16 Cs1 F9_16 37.23(17) 1_454 1_454 ?
F9_8 Cs1 F9_16 130.63(19) . 1_454 ?
F9_10 Cs1 F9_16 146.78(19) 1_454 1_454 ?
F5_22 Cs1 F9_16 75.9(2) . 1_454 ?
F7_24 Cs1 F9_16 118.5(2) . 1_454 ?
F1_16 Cs1 F9_16 46.14(18) 1_454 1_454 ?
F3_9 Cs1 F9_16 102.51(18) 1_454 1_454 ?
F3_7 Cs1 F9_16 92.43(19) . 1_454 ?
F1_10 Cs1 F9_16 101.26(19) 1_454 1_454 ?
F7_9 Cs2 F4_17 88.5(3) . 1_666 ?
F7_9 Cs2 F5_20 57.2(2) . 1_666 ?
F4_17 Cs2 F5_20 62.2(3) 1_666 1_666 ?
F7_9 Cs2 F2_8 104.2(2) . 1_666 ?
F4_17 Cs2 F2_8 139.6(2) 1_666 1_666 ?
F5_20 Cs2 F2_8 92.5(3) 1_666 1_666 ?
F7_9 Cs2 F3_14 141.0(2) . 1_665 ?
F4_17 Cs2 F3_14 70.2(2) 1_666 1_665 ?
F5_20 Cs2 F3_14 128.7(3) 1_666 1_665 ?
F2_8 Cs2 F3_14 113.3(2) 1_666 1_665 ?
F7_9 Cs2 F9_12 68.7(2) . . ?
F4_17 Cs2 F9_12 59.9(2) 1_666 . ?
F5_20 Cs2 F9_12 98.0(3) 1_666 . ?
F2_8 Cs2 F9_12 160.3(2) 1_666 . ?
F3_14 Cs2 F9_12 72.3(2) 1_665 . ?
F7_9 Cs2 F5_14 134.4(2) . 1_665 ?
F4_17 Cs2 F5_14 120.0(2) 1_666 1_665 ?
F5_20 Cs2 F5_14 166.2(2) 1_666 1_665 ?
F2_8 Cs2 F5_14 77.6(2) 1_666 1_665 ?
F3_14 Cs2 F5_14 49.9(2) 1_665 1_665 ?
F9_12 Cs2 F5_14 94.2(2) . 1_665 ?
F7_9 Cs2 F3_15 161.9(2) . 1_665 ?
F4_17 Cs2 F3_15 93.1(3) 1_666 1_665 ?
F5_20 Cs2 F3_15 108.1(2) 1_666 1_665 ?
F2_8 Cs2 F3_15 63.7(2) 1_666 1_665 ?
F3_14 Cs2 F3_15 55.4(2) 1_665 1_665 ?
F9_12 Cs2 F3_15 127.2(2) . 1_665 ?
F5_14 Cs2 F3_15 58.9(2) 1_665 1_665 ?
F7_9 Cs2 F9_11 74.2(2) . . ?
F4_17 Cs2 F9_11 113.3(2) 1_666 . ?
F5_20 Cs2 F9_11 130.8(2) 1_666 . ?
F2_8 Cs2 F9_11 107.1(2) 1_666 . ?
F3_14 Cs2 F9_11 84.4(2) 1_665 . ?
F9_12 Cs2 F9_11 53.7(2) . . ?
F5_14 Cs2 F9_11 62.2(2) 1_665 . ?
F3_15 Cs2 F9_11 121.1(2) 1_665 . ?
F7_9 Cs2 F5_8 86.0(2) . 1_666 ?
F4_17 Cs2 F5_8 169.1(2) 1_666 1_666 ?
F5_20 Cs2 F5_8 121.5(2) 1_666 1_666 ?
F2_8 Cs2 F5_8 51.2(2) 1_666 1_666 ?
F3_14 Cs2 F5_8 108.8(2) 1_665 1_666 ?
F9_12 Cs2 F5_8 109.3(2) . 1_666 ?
F5_14 Cs2 F5_8 59.2(2) 1_665 1_666 ?
F3_15 Cs2 F5_8 95.0(2) 1_665 1_666 ?
F9_11 Cs2 F5_8 56.13(19) . 1_666 ?
F7_9 Cs2 F3_8 67.0(2) . 1_666 ?
F4_17 Cs2 F3_8 139.0(2) 1_666 1_666 ?
F5_20 Cs2 F3_8 76.8(2) 1_666 1_666 ?
F2_8 Cs2 F3_8 37.56(18) 1_666 1_666 ?
F3_14 Cs2 F3_8 147.5(2) 1_665 1_666 ?
F9_12 Cs2 F3_8 129.68(19) . 1_666 ?
F5_14 Cs2 F3_8 100.07(19) 1_665 1_666 ?
F3_15 Cs2 F3_8 101.04(19) 1_665 1_666 ?
F9_11 Cs2 F3_8 91.87(19) . 1_666 ?
F5_8 Cs2 F3_8 45.83(18) 1_666 1_666 ?
F7_9 Cs2 F7_17 124.7(2) . 1_666 ?
F4_17 Cs2 F7_17 47.2(2) 1_666 1_666 ?
F5_20 Cs2 F7_17 71.5(2) 1_666 1_666 ?
F2_8 Cs2 F7_17 96.7(2) 1_666 1_666 ?
F3_14 Cs2 F7_17 62.5(2) 1_665 1_666 ?
F9_12 Cs2 F7_17 102.4(2) . 1_666 ?
F5_14 Cs2 F7_17 99.8(2) 1_665 1_666 ?
F3_15 Cs2 F7_17 49.0(2) 1_665 1_666 ?
F9_11 Cs2 F7_17 145.1(2) . 1_666 ?
F5_8 Cs2 F7_17 142.6(2) 1_666 1_666 ?
F3_8 Cs2 F7_17 121.8(2) 1_666 1_666 ?
F7_15 Cs3 F4_3 83.7(3) . 1_666 ?
F7_15 Cs3 F4_1 81.8(3) . 1_666 ?
F4_3 Cs3 F4_1 70.9(3) 1_666 1_666 ?
F7_15 Cs3 F4_16 67.9(2) . . ?
F4_3 Cs3 F4_16 61.6(2) 1_666 . ?
F4_1 Cs3 F4_16 125.2(3) 1_666 . ?
F7_15 Cs3 F2_12 103.7(2) . 1_455 ?
F4_3 Cs3 F2_12 136.0(2) 1_666 1_455 ?
F4_1 Cs3 F2_12 67.5(3) 1_666 1_455 ?
F4_16 Cs3 F2_12 161.2(2) . 1_455 ?
F7_15 Cs3 F3_6 139.7(2) . 1_666 ?
F4_3 Cs3 F3_6 73.6(2) 1_666 1_666 ?
F4_1 Cs3 F3_6 119.6(3) 1_666 1_666 ?
F4_16 Cs3 F3_6 72.0(2) . 1_666 ?
F2_12 Cs3 F3_6 115.9(2) 1_455 1_666 ?
F7_15 Cs3 F4_13 75.8(2) . . ?
F4_3 Cs3 F4_13 116.2(2) 1_666 . ?
F4_1 Cs3 F4_13 155.2(3) 1_666 . ?
F4_16 Cs3 F4_13 54.6(2) . . ?
F2_12 Cs3 F4_13 107.7(2) 1_455 . ?
F3_6 Cs3 F4_13 84.7(2) 1_666 . ?
F7_15 Cs3 F3_5 162.1(2) . 1_666 ?
F4_3 Cs3 F3_5 91.8(3) 1_666 1_666 ?
F4_1 Cs3 F3_5 80.3(3) 1_666 1_666 ?
F4_16 Cs3 F3_5 124.8(2) . 1_666 ?
F2_12 Cs3 F3_5 67.9(2) 1_455 1_666 ?
F3_6 Cs3 F3_5 53.6(2) 1_666 1_666 ?
F4_13 Cs3 F3_5 121.4(2) . 1_666 ?
F7_15 Cs3 F5_6 136.8(3) . 1_666 ?
F4_3 Cs3 F5_6 122.4(2) 1_666 1_666 ?
F4_1 Cs3 F5_6 136.5(3) 1_666 1_666 ?
F4_16 Cs3 F5_6 93.4(2) . 1_666 ?
F2_12 Cs3 F5_6 81.5(2) 1_455 1_666 ?
F3_6 Cs3 F5_6 48.9(2) 1_666 1_666 ?
F4_13 Cs3 F5_6 62.1(2) . 1_666 ?
F3_5 Cs3 F5_6 59.5(2) 1_666 1_666 ?
F7_15 Cs3 F5_12 88.4(3) . 1_455 ?
F4_3 Cs3 F5_12 170.5(2) 1_666 1_455 ?
F4_1 Cs3 F5_12 113.3(3) 1_666 1_455 ?
F4_16 Cs3 F5_12 110.4(2) . 1_455 ?
F2_12 Cs3 F5_12 51.4(2) 1_455 1_455 ?
F3_6 Cs3 F5_12 109.6(2) 1_666 1_455 ?
F4_13 Cs3 F5_12 56.3(2) . 1_455 ?
F3_5 Cs3 F5_12 97.3(2) 1_666 1_455 ?
F5_6 Cs3 F5_12 61.0(2) 1_666 1_455 ?
F7_15 Cs3 F7_3 117.3(3) . 1_666 ?
F4_3 Cs3 F7_3 47.3(2) 1_666 1_666 ?
F4_1 Cs3 F7_3 50.4(3) 1_666 1_666 ?
F4_16 Cs3 F7_3 105.3(2) . 1_666 ?
F2_12 Cs3 F7_3 93.5(2) 1_455 1_666 ?
F3_6 Cs3 F7_3 69.5(2) 1_666 1_666 ?
F4_13 Cs3 F7_3 152.1(2) . 1_666 ?
F3_5 Cs3 F7_3 50.2(2) 1_666 1_666 ?
F5_6 Cs3 F7_3 105.0(2) 1_666 1_666 ?
F5_12 Cs3 F7_3 142.0(2) 1_455 1_666 ?
F7_15 Cs3 F3_12 68.3(2) . 1_455 ?
F4_3 Cs3 F3_12 134.8(2) 1_666 1_455 ?
F4_1 Cs3 F3_12 70.6(3) 1_666 1_455 ?
F4_16 Cs3 F3_12 129.5(2) . 1_455 ?
F2_12 Cs3 F3_12 36.28(18) 1_455 1_455 ?
F3_6 Cs3 F3_12 148.2(2) 1_666 1_455 ?
F4_13 Cs3 F3_12 91.18(19) . 1_455 ?
F3_5 Cs3 F3_12 104.1(2) 1_666 1_455 ?
F5_6 Cs3 F3_12 101.77(19) 1_666 1_455 ?
F5_12 Cs3 F3_12 45.16(19) 1_455 1_455 ?
F7_3 Cs3 F3_12 116.3(2) 1_666 1_455 ?
F7_22 Cs4 F5_11 108.5(3) . 1_455 ?
F7_22 Cs4 F8_4 81.8(3) . . ?
F5_11 Cs4 F8_4 158.5(2) 1_455 . ?
F7_22 Cs4 F1_17 63.4(3) . 1_455 ?
F5_11 Cs4 F1_17 112.6(2) 1_455 1_455 ?
F8_4 Cs4 F1_17 88.8(2) . 1_455 ?
F7_22 Cs4 F3_11 78.7(3) . 1_455 ?
F5_11 Cs4 F3_11 49.30(18) 1_455 1_455 ?
F8_4 Cs4 F3_11 118.0(2) . 1_455 ?
F1_17 Cs4 F3_11 129.9(2) 1_455 1_455 ?
F7_22 Cs4 F4_21 60.5(3) . . ?
F5_11 Cs4 F4_21 109.4(2) 1_455 . ?
F8_4 Cs4 F4_21 58.5(2) . . ?
F1_17 Cs4 F4_21 117.4(2) 1_455 . ?
F3_11 Cs4 F4_21 60.7(2) 1_455 . ?
F7_22 Cs4 F5_10 123.5(3) . 1_455 ?
F5_11 Cs4 F5_10 60.1(2) 1_455 1_455 ?
F8_4 Cs4 F5_10 98.5(2) . 1_455 ?
F1_17 Cs4 F5_10 170.5(2) 1_455 1_455 ?
F3_11 Cs4 F5_10 51.3(2) 1_455 1_455 ?
F4_21 Cs4 F5_10 71.9(2) . 1_455 ?
F7_22 Cs4 F2_4 131.9(2) . . ?
F5_11 Cs4 F2_4 118.58(19) 1_455 . ?
F8_4 Cs4 F2_4 50.6(2) . . ?
F1_17 Cs4 F2_4 104.2(2) 1_455 . ?
F3_11 Cs4 F2_4 125.7(2) 1_455 . ?
F4_21 Cs4 F2_4 93.6(2) . . ?
F5_10 Cs4 F2_4 76.3(2) 1_455 . ?
F7_22 Cs4 F9_18 126.8(3) . 1_455 ?
F5_11 Cs4 F9_18 60.1(2) 1_455 1_455 ?
F8_4 Cs4 F9_18 129.0(3) . 1_455 ?
F1_17 Cs4 F9_18 74.0(3) 1_455 1_455 ?
F3_11 Cs4 F9_18 109.4(2) 1_455 1_455 ?
F4_21 Cs4 F9_18 167.9(3) . 1_455 ?
F5_10 Cs4 F9_18 96.6(2) 1_455 1_455 ?
F2_4 Cs4 F9_18 87.1(2) . 1_455 ?
F7_22 Cs4 F3_19 60.7(3) . 1_455 ?
F5_11 Cs4 F3_19 67.2(2) 1_455 1_455 ?
F8_4 Cs4 F3_19 132.9(2) . 1_455 ?
F1_17 Cs4 F3_19 50.4(2) 1_455 1_455 ?
F3_11 Cs4 F3_19 83.5(2) 1_455 1_455 ?
F4_21 Cs4 F3_19 115.2(2) . 1_455 ?
F5_10 Cs4 F3_19 125.2(2) 1_455 1_455 ?
F2_4 Cs4 F3_19 147.6(2) . 1_455 ?
F9_18 Cs4 F3_19 68.0(2) 1_455 1_455 ?
F7_22 Cs4 F7_18 127.0(3) . 1_455 ?
F5_11 Cs4 F7_18 94.5(2) 1_455 1_455 ?
F8_4 Cs4 F7_18 93.8(2) . 1_455 ?
F1_17 Cs4 F7_18 63.7(2) 1_455 1_455 ?
F3_11 Cs4 F7_18 143.2(2) 1_455 1_455 ?
F4_21 Cs4 F7_18 151.5(3) . 1_455 ?
F5_10 Cs4 F7_18 109.4(2) 1_455 1_455 ?
F2_4 Cs4 F7_18 60.4(2) . 1_455 ?
F9_18 Cs4 F7_18 35.5(2) 1_455 1_455 ?
F3_19 Cs4 F7_18 88.0(2) 1_455 1_455 ?
F7_22 Cs4 F3_10 161.5(3) . 1_455 ?
F5_11 Cs4 F3_10 53.5(2) 1_455 1_455 ?
F8_4 Cs4 F3_10 113.8(2) . 1_455 ?
F1_17 Cs4 F3_10 124.0(2) 1_455 1_455 ?
F3_11 Cs4 F3_10 85.0(2) 1_455 1_455 ?
F4_21 Cs4 F3_10 118.1(2) . 1_455 ?
F5_10 Cs4 F3_10 47.28(18) 1_455 1_455 ?
F2_4 Cs4 F3_10 65.33(19) . 1_455 ?
F9_18 Cs4 F3_10 51.5(2) 1_455 1_455 ?
F3_19 Cs4 F3_10 109.2(2) 1_455 1_455 ?
F7_18 Cs4 F3_10 64.2(2) 1_455 1_455 ?
F7_20 Cs5 F1_2 122.4(3) . . ?
F7_20 Cs5 F6_23 85.0(3) . 1_545 ?
F1_2 Cs5 F6_23 93.9(3) . 1_545 ?
F7_20 Cs5 F9_13 85.3(3) . . ?
F1_2 Cs5 F9_13 131.4(2) . . ?
F6_23 Cs5 F9_13 130.4(2) 1_545 . ?
F7_20 Cs5 F1_13 112.8(3) . . ?
F1_2 Cs5 F1_13 82.0(2) . . ?
F6_23 Cs5 F1_13 161.1(2) 1_545 . ?
F9_13 Cs5 F1_13 49.53(18) . . ?
F7_20 Cs5 F7_14 132.5(3) . . ?
F1_2 Cs5 F7_14 103.4(2) . . ?
F6_23 Cs5 F7_14 105.3(2) 1_545 . ?
F9_13 Cs5 F7_14 52.3(2) . . ?
F1_13 Cs5 F7_14 58.4(2) . . ?
F7_20 Cs5 F1_3 61.7(3) . . ?
F1_2 Cs5 F1_3 60.9(2) . . ?
F6_23 Cs5 F1_3 83.7(2) 1_545 . ?
F9_13 Cs5 F1_3 131.6(2) . . ?
F1_13 Cs5 F1_3 109.7(2) . . ?
F7_14 Cs5 F1_3 162.9(2) . . ?
F7_20 Cs5 F4_4 63.6(3) . . ?
F1_2 Cs5 F4_4 76.0(2) . . ?
F6_23 Cs5 F4_4 131.6(3) 1_545 . ?
F9_13 Cs5 F4_4 85.0(2) . . ?
F1_13 Cs5 F4_4 65.4(2) . . ?
F7_14 Cs5 F4_4 123.1(2) . . ?
F1_3 Cs5 F4_4 49.7(2) . . ?
F7_20 Cs5 F8_23 133.5(2) . 1_545 ?
F1_2 Cs5 F8_23 62.9(2) . 1_545 ?
F6_23 Cs5 F8_23 49.2(2) 1_545 1_545 ?
F9_13 Cs5 F8_23 128.2(2) . 1_545 ?
F1_13 Cs5 F8_23 113.7(2) . 1_545 ?
F7_14 Cs5 F8_23 76.7(2) . 1_545 ?
F1_3 Cs5 F8_23 99.8(2) . 1_545 ?
F4_4 Cs5 F8_23 138.0(2) . 1_545 ?
F7_20 Cs5 F3_18 59.1(3) . . ?
F1_2 Cs5 F3_18 177.5(3) . . ?
F6_23 Cs5 F3_18 84.2(3) 1_545 . ?
F9_13 Cs5 F3_18 49.8(2) . . ?
F1_13 Cs5 F3_18 99.3(2) . . ?
F7_14 Cs5 F3_18 75.6(2) . . ?
F1_3 Cs5 F3_18 120.4(2) . . ?
F4_4 Cs5 F3_18 106.5(3) . . ?
F8_23 Cs5 F3_18 114.7(2) 1_545 . ?
F7_20 Cs5 F4_14 163.6(2) . . ?
F1_2 Cs5 F4_14 58.4(2) . . ?
F6_23 Cs5 F4_14 111.3(2) 1_545 . ?
F9_13 Cs5 F4_14 84.04(18) . . ?
F1_13 Cs5 F4_14 51.0(2) . . ?
F7_14 Cs5 F4_14 45.36(17) . . ?
F1_3 Cs5 F4_14 118.01(19) . . ?
F4_4 Cs5 F4_14 103.1(2) . . ?
F8_23 Cs5 F4_14 62.68(19) 1_545 . ?
F3_18 Cs5 F4_14 120.8(2) . . ?
F1_21 Cs6 F4_2 158.3(3) . 1_665 ?
F1_21 Cs6 F6_19 100.4(3) . . ?
F4_2 Cs6 F6_19 60.8(2) 1_665 . ?
F1_21 Cs6 F7_7 81.5(3) . 1_666 ?
F4_2 Cs6 F7_7 111.3(2) 1_665 1_666 ?
F6_19 Cs6 F7_7 157.0(2) . 1_666 ?
F1_21 Cs6 F4_7 131.3(2) . 1_666 ?
F4_2 Cs6 F4_7 62.3(2) 1_665 1_666 ?
F6_19 Cs6 F4_7 121.7(2) . 1_666 ?
F7_7 Cs6 F4_7 50.09(19) 1_666 1_666 ?
F1_21 Cs6 F1_24 63.4(2) . . ?
F4_2 Cs6 F1_24 123.3(2) 1_665 . ?
F6_19 Cs6 F1_24 90.5(2) . . ?
F7_7 Cs6 F1_24 110.4(2) 1_666 . ?
F4_7 Cs6 F1_24 132.2(2) 1_666 . ?
F1_21 Cs6 F1_1 141.5(3) . 1_665 ?
F4_2 Cs6 F1_1 57.5(3) 1_665 1_665 ?
F6_19 Cs6 F1_1 98.0(2) . 1_665 ?
F7_7 Cs6 F1_1 94.2(3) 1_666 1_665 ?
F4_7 Cs6 F1_1 60.0(3) 1_666 1_665 ?
F1_24 Cs6 F1_1 83.0(3) . 1_665 ?
F1_21 Cs6 F7_6 102.6(2) . 1_666 ?
F4_2 Cs6 F7_6 71.6(2) 1_665 1_666 ?
F6_19 Cs6 F7_6 97.5(2) . 1_666 ?
F7_7 Cs6 F7_6 60.0(2) 1_666 1_666 ?
F4_7 Cs6 F7_6 52.4(2) 1_666 1_666 ?
F1_24 Cs6 F7_6 165.1(2) . 1_666 ?
F1_1 Cs6 F7_6 108.2(3) 1_665 1_666 ?
F1_21 Cs6 F3_23 79.2(2) . . ?
F4_2 Cs6 F3_23 121.6(3) 1_665 . ?
F6_19 Cs6 F3_23 136.5(2) . . ?
F7_7 Cs6 F3_23 66.5(2) 1_666 . ?
F4_7 Cs6 F3_23 85.2(2) 1_666 . ?
F1_24 Cs6 F3_23 49.9(2) . . ?
F1_1 Cs6 F3_23 64.3(2) 1_665 . ?
F7_6 Cs6 F3_23 125.3(2) 1_666 . ?
F1_21 Cs6 F8_19 65.8(2) . . ?
F4_2 Cs6 F8_19 92.7(2) 1_665 . ?
F6_19 Cs6 F8_19 48.9(2) . . ?
F7_7 Cs6 F8_19 114.2(2) 1_666 . ?
F4_7 Cs6 F8_19 124.3(2) 1_666 . ?
F1_24 Cs6 F8_19 103.4(2) . . ?
F1_1 Cs6 F8_19 145.6(2) 1_665 . ?
F7_6 Cs6 F8_19 73.2(2) 1_666 . ?
F3_23 Cs6 F8_19 143.9(2) . . ?
F1_21 Cs6 F9_1 122.7(3) . 1_665 ?
F4_2 Cs6 F9_1 58.0(3) 1_665 1_665 ?
F6_19 Cs6 F9_1 56.2(3) . 1_665 ?
F7_7 Cs6 F9_1 141.0(3) 1_666 1_665 ?
F4_7 Cs6 F9_1 101.9(2) 1_666 1_665 ?
F1_24 Cs6 F9_1 65.4(3) . 1_665 ?
F1_1 Cs6 F9_1 47.4(3) 1_665 1_665 ?
F7_6 Cs6 F9_1 129.5(3) 1_666 1_665 ?
F3_23 Cs6 F9_1 87.1(3) . 1_665 ?
F8_19 Cs6 F9_1 104.1(3) . 1_665 ?
F1_21 Cs6 F4_6 57.4(2) . 1_666 ?
F4_2 Cs6 F4_6 115.9(2) 1_665 1_666 ?
F6_19 Cs6 F4_6 109.6(2) . 1_666 ?
F7_7 Cs6 F4_6 52.1(2) 1_666 1_666 ?
F4_7 Cs6 F4_6 84.3(2) 1_666 1_666 ?
F1_24 Cs6 F4_6 119.7(2) . 1_666 ?
F1_1 Cs6 F4_6 143.1(3) 1_665 1_666 ?
F7_6 Cs6 F4_6 45.63(19) 1_666 1_666 ?
F3_23 Cs6 F4_6 106.4(2) . 1_666 ?
F8_19 Cs6 F4_6 62.2(2) . 1_666 ?
F9_1 Cs6 F4_6 165.7(3) 1_665 1_666 ?
O1_16 Al2 O1_14 108.4(5) . . ?
O1_16 Al2 O1_13 105.5(4) . . ?
O1_14 Al2 O1_13 113.1(5) . . ?
O1_16 Al2 O1_15 115.0(5) . . ?
O1_14 Al2 O1_15 108.5(4) . . ?
O1_13 Al2 O1_15 106.4(4) . . ?
O1_9 Al3 O1_12 113.5(5) . . ?
O1_9 Al3 O1_10 109.0(4) . . ?
O1_12 Al3 O1_10 108.3(5) . . ?
O1_9 Al3 O1_11 107.7(5) . . ?
O1_12 Al3 O1_11 105.6(4) . . ?
O1_10 Al3 O1_11 112.7(5) . . ?
O1_2 Al1 O1_4 107.2(5) . . ?
O1_2 Al1 O1_3 111.6(5) . . ?
O1_4 Al1 O1_3 108.8(5) . . ?
O1_2 Al1 O1_1 108.6(5) . . ?
O1_4 Al1 O1_1 110.9(5) . . ?
O1_3 Al1 O1_1 109.7(5) . . ?
O1_5 Al4 O1_8 114.2(5) . . ?
O1_5 Al4 O1_7 107.4(5) . . ?
O1_8 Al4 O1_7 106.2(4) . . ?
O1_5 Al4 O1_6 108.3(5) . . ?
O1_8 Al4 O1_6 107.6(4) . . ?
O1_7 Al4 O1_6 113.2(5) . . ?
O1_23 Al5 O1_21 107.2(5) . . ?
O1_23 Al5 O1_22 112.2(5) . . ?
O1_21 Al5 O1_22 108.5(4) . . ?
O1_23 Al5 O1_24 108.2(4) . . ?
O1_21 Al5 O1_24 112.0(5) . . ?
O1_22 Al5 O1_24 108.8(5) . . ?
O1_20 Al6 O1_19 112.5(5) . . ?
O1_20 Al6 O1_17 106.9(5) . . ?
O1_19 Al6 O1_17 109.8(5) . . ?
O1_20 Al6 O1_18 109.3(5) . . ?
O1_19 Al6 O1_18 106.9(5) . . ?
O1_17 Al6 O1_18 111.5(5) . . ?

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
Al4 O1_6 C1_6 C3_6 -148.4(13) . . . . ?
Al4 O1_6 C1_6 C2_6 91.4(15) . . . . ?
Al4 O1_6 C1_6 C4_6 -30.3(18) . . . . ?
O1_6 C1_6 C2_6 F2_6 -164.0(8) . . . . ?
C3_6 C1_6 C2_6 F2_6 78.2(10) . . . . ?
C4_6 C1_6 C2_6 F2_6 -41.8(11) . . . . ?
O1_6 C1_6 C2_6 F1_6 -43.8(11) . . . . ?
C3_6 C1_6 C2_6 F1_6 -161.6(8) . . . . ?
C4_6 C1_6 C2_6 F1_6 78.4(10) . . . . ?
O1_6 C1_6 C2_6 F3_6 75.0(10) . . . . ?
C3_6 C1_6 C2_6 F3_6 -42.8(11) . . . . ?
C4_6 C1_6 C2_6 F3_6 -162.8(9) . . . . ?
F2_6 C2_6 F3_6 Cs3 -110(2) . . . 1_444 ?
F1_6 C2_6 F3_6 Cs3 132.8(19) . . . 1_444 ?
C1_6 C2_6 F3_6 Cs3 12(3) . . . 1_444 ?
O1_6 C1_6 C3_6 F4_6 74.9(11) . . . . ?
C2_6 C1_6 C3_6 F4_6 -165.9(9) . . . . ?
C4_6 C1_6 C3_6 F4_6 -44.8(11) . . . . ?
O1_6 C1_6 C3_6 F6_6 -163.2(9) . . . . ?
C2_6 C1_6 C3_6 F6_6 -44.0(11) . . . . ?
C4_6 C1_6 C3_6 F6_6 77.1(11) . . . . ?
O1_6 C1_6 C3_6 F5_6 -45.7(12) . . . . ?
C2_6 C1_6 C3_6 F5_6 73.5(11) . . . . ?
C4_6 C1_6 C3_6 F5_6 -165.4(9) . . . . ?
F6_6 C3_6 F4_6 Cs6 -85.8(14) . . . 1_444 ?
F5_6 C3_6 F4_6 Cs6 160.4(9) . . . 1_444 ?
C1_6 C3_6 F4_6 Cs6 37.7(17) . . . 1_444 ?
F4_6 C3_6 F5_6 Cs3 159.8(7) . . . 1_444 ?
F6_6 C3_6 F5_6 Cs3 44.1(13) . . . 1_444 ?
C1_6 C3_6 F5_6 Cs3 -76.8(11) . . . 1_444 ?
O1_6 C1_6 C4_6 F7_6 -40.7(11) . . . . ?
C3_6 C1_6 C4_6 F7_6 76.6(10) . . . . ?
C2_6 C1_6 C4_6 F7_6 -161.9(8) . . . . ?
O1_6 C1_6 C4_6 F8_6 -161.1(9) . . . . ?
C3_6 C1_6 C4_6 F8_6 -43.8(12) . . . . ?
C2_6 C1_6 C4_6 F8_6 77.7(11) . . . . ?
O1_6 C1_6 C4_6 F9_6 77.4(11) . . . . ?
C3_6 C1_6 C4_6 F9_6 -165.4(9) . . . . ?
C2_6 C1_6 C4_6 F9_6 -43.8(11) . . . . ?
F8_6 C4_6 F7_6 Cs6 18.4(11) . . . 1_444 ?
F9_6 C4_6 F7_6 Cs6 135.0(7) . . . 1_444 ?
C1_6 C4_6 F7_6 Cs6 -105.3(8) . . . 1_444 ?
Al5 O1_24 C1_24 C4_24 -84.5(16) . . . . ?
Al5 O1_24 C1_24 C2_24 36.7(19) . . . . ?
Al5 O1_24 C1_24 C3_24 156.9(13) . . . . ?
O1_24 C1_24 C2_24 F2_24 -164.7(10) . . . . ?
C4_24 C1_24 C2_24 F2_24 -42.6(12) . . . . ?
C3_24 C1_24 C2_24 F2_24 75.9(11) . . . . ?
O1_24 C1_24 C2_24 F3_24 73.6(11) . . . . ?
C4_24 C1_24 C2_24 F3_24 -164.4(9) . . . . ?
C3_24 C1_24 C2_24 F3_24 -45.8(11) . . . . ?
O1_24 C1_24 C2_24 F1_24 -44.2(12) . . . . ?
C4_24 C1_24 C2_24 F1_24 77.9(11) . . . . ?
C3_24 C1_24 C2_24 F1_24 -163.6(9) . . . . ?
F2_24 C2_24 F1_24 Cs6 -64.9(11) . . . . ?
F3_24 C2_24 F1_24 Cs6 49.6(11) . . . . ?
C1_24 C2_24 F1_24 Cs6 171.0(6) . . . . ?
O1_24 C1_24 C3_24 F6_24 -168.8(10) . . . . ?
C4_24 C1_24 C3_24 F6_24 71.7(11) . . . . ?
C2_24 C1_24 C3_24 F6_24 -47.0(11) . . . . ?
O1_24 C1_24 C3_24 F5_24 -44.6(11) . . . . ?
C4_24 C1_24 C3_24 F5_24 -164.2(9) . . . . ?
C2_24 C1_24 C3_24 F5_24 77.2(10) . . . . ?
O1_24 C1_24 C3_24 F4_24 73.8(11) . . . . ?
C4_24 C1_24 C3_24 F4_24 -45.7(11) . . . . ?
C2_24 C1_24 C3_24 F4_24 -164.3(9) . . . . ?
F6_24 C3_24 F4_24 Cs1 -127(2) . . . . ?
F5_24 C3_24 F4_24 Cs1 114(2) . . . . ?
C1_24 C3_24 F4_24 Cs1 -5(3) . . . . ?
O1_24 C1_24 C4_24 F7_24 -42.9(12) . . . . ?
C2_24 C1_24 C4_24 F7_24 -166.0(9) . . . . ?
C3_24 C1_24 C4_24 F7_24 75.1(11) . . . . ?
O1_24 C1_24 C4_24 F9_24 75.0(11) . . . . ?
C2_24 C1_24 C4_24 F9_24 -48.1(12) . . . . ?
C3_24 C1_24 C4_24 F9_24 -167.0(9) . . . . ?
O1_24 C1_24 C4_24 F8_24 -164.8(10) . . . . ?
C2_24 C1_24 C4_24 F8_24 72.1(12) . . . . ?
C3_24 C1_24 C4_24 F8_24 -46.8(12) . . . . ?
F9_24 C4_24 F7_24 Cs1 172.7(8) . . . . ?
F8_24 C4_24 F7_24 Cs1 58.5(14) . . . . ?
C1_24 C4_24 F7_24 Cs1 -67.2(13) . . . . ?
Al5 O1_23 C1_23 C3_23 -159.2(13) . . . . ?
Al5 O1_23 C1_23 C2_23 81.1(16) . . . . ?
Al5 O1_23 C1_23 C4_23 -39.2(19) . . . . ?
O1_23 C1_23 C2_23 F1_23 -76.2(11) . . . . ?
C3_23 C1_23 C2_23 F1_23 165.5(9) . . . . ?
C4_23 C1_23 C2_23 F1_23 44.8(12) . . . . ?
O1_23 C1_23 C2_23 F3_23 44.5(12) . . . . ?
C3_23 C1_23 C2_23 F3_23 -73.8(11) . . . . ?
C4_23 C1_23 C2_23 F3_23 165.6(9) . . . . ?
O1_23 C1_23 C2_23 F2_23 164.1(9) . . . . ?
C3_23 C1_23 C2_23 F2_23 45.8(12) . . . . ?
C4_23 C1_23 C2_23 F2_23 -74.9(11) . . . . ?
F1_23 C2_23 F3_23 Cs6 -14.3(14) . . . . ?
F2_23 C2_23 F3_23 Cs6 99.2(11) . . . . ?
C1_23 C2_23 F3_23 Cs6 -136.9(8) . . . . ?
O1_23 C1_23 C3_23 F4_23 44.7(10) . . . . ?
C2_23 C1_23 C3_23 F4_23 163.8(9) . . . . ?
C4_23 C1_23 C3_23 F4_23 -75.8(10) . . . . ?
O1_23 C1_23 C3_23 F6_23 165.0(9) . . . . ?
C2_23 C1_23 C3_23 F6_23 -75.9(11) . . . . ?
C4_23 C1_23 C3_23 F6_23 44.5(11) . . . . ?
O1_23 C1_23 C3_23 F5_23 -75.0(10) . . . . ?
C2_23 C1_23 C3_23 F5_23 44.2(11) . . . . ?
C4_23 C1_23 C3_23 F5_23 164.5(9) . . . . ?
F4_23 C3_23 F6_23 Cs5 73(2) . . . 1_565 ?
F5_23 C3_23 F6_23 Cs5 -170.9(18) . . . 1_565 ?
C1_23 C3_23 F6_23 Cs5 -48(3) . . . 1_565 ?
O1_23 C1_23 C4_23 F9_23 44.3(12) . . . . ?
C3_23 C1_23 C4_23 F9_23 163.1(9) . . . . ?
C2_23 C1_23 C4_23 F9_23 -76.0(11) . . . . ?
O1_23 C1_23 C4_23 F7_23 -77.5(11) . . . . ?
C3_23 C1_23 C4_23 F7_23 41.4(12) . . . . ?
C2_23 C1_23 C4_23 F7_23 162.2(9) . . . . ?
O1_23 C1_23 C4_23 F8_23 164.2(9) . . . . ?
C3_23 C1_23 C4_23 F8_23 -77.0(11) . . . . ?
C2_23 C1_23 C4_23 F8_23 43.8(11) . . . . ?
F9_23 C4_23 F8_23 Cs5 -151.3(6) . . . 1_565 ?
F7_23 C4_23 F8_23 Cs5 -36.0(10) . . . 1_565 ?
C1_23 C4_23 F8_23 Cs5 86.1(9) . . . 1_565 ?
Al5 O1_22 C1_22 C3_22 85.9(15) . . . . ?
Al5 O1_22 C1_22 C2_22 -36.1(17) . . . . ?
Al5 O1_22 C1_22 C4_22 -154.4(12) . . . . ?
O1_22 C1_22 C2_22 F3_22 44.8(13) . . . . ?
C3_22 C1_22 C2_22 F3_22 -78.6(12) . . . . ?
C4_22 C1_22 C2_22 F3_22 162.8(10) . . . . ?
O1_22 C1_22 C2_22 F1_22 -72.6(12) . . . . ?
C3_22 C1_22 C2_22 F1_22 163.9(10) . . . . ?
C4_22 C1_22 C2_22 F1_22 45.4(12) . . . . ?
O1_22 C1_22 C2_22 F2_22 166.6(10) . . . . ?
C3_22 C1_22 C2_22 F2_22 43.1(12) . . . . ?
C4_22 C1_22 C2_22 F2_22 -75.4(12) . . . . ?
O1_22 C1_22 C3_22 F4_22 41.5(13) . . . . ?
C2_22 C1_22 C3_22 F4_22 165.3(10) . . . . ?
C4_22 C1_22 C3_22 F4_22 -77.0(12) . . . . ?
O1_22 C1_22 C3_22 F6_22 164.1(10) . . . . ?
C2_22 C1_22 C3_22 F6_22 -72.1(12) . . . . ?
C4_22 C1_22 C3_22 F6_22 45.6(13) . . . . ?
O1_22 C1_22 C3_22 F5_22 -77.0(12) . . . . ?
C2_22 C1_22 C3_22 F5_22 46.8(12) . . . . ?
C4_22 C1_22 C3_22 F5_22 164.5(10) . . . . ?
F4_22 C3_22 F5_22 Cs1 148.3(13) . . . . ?
F6_22 C3_22 F5_22 Cs1 33(2) . . . . ?
C1_22 C3_22 F5_22 Cs1 -90.6(16) . . . . ?
O1_22 C1_22 C4_22 F9_22 46.6(13) . . . . ?
C3_22 C1_22 C4_22 F9_22 167.5(11) . . . . ?
C2_22 C1_22 C4_22 F9_22 -74.3(13) . . . . ?
O1_22 C1_22 C4_22 F8_22 169.0(11) . . . . ?
C3_22 C1_22 C4_22 F8_22 -70.1(13) . . . . ?
C2_22 C1_22 C4_22 F8_22 48.1(13) . . . . ?
O1_22 C1_22 C4_22 F7_22 -76.3(12) . . . . ?
C3_22 C1_22 C4_22 F7_22 44.7(13) . . . . ?
C2_22 C1_22 C4_22 F7_22 162.9(10) . . . . ?
F9_22 C4_22 F7_22 Cs4 8(3) . . . . ?
F8_22 C4_22 F7_22 Cs4 -110(2) . . . . ?
C1_22 C4_22 F7_22 Cs4 130.1(17) . . . . ?
Al5 O1_21 C1_21 C4_21 44.8(15) . . . . ?
Al5 O1_21 C1_21 C3_21 -75.4(15) . . . . ?
Al5 O1_21 C1_21 C2_21 164.9(11) . . . . ?
O1_21 C1_21 C2_21 F2_21 -166.8(9) . . . . ?
C4_21 C1_21 C2_21 F2_21 -45.7(12) . . . . ?
C3_21 C1_21 C2_21 F2_21 72.5(12) . . . . ?
O1_21 C1_21 C2_21 F1_21 -46.1(12) . . . . ?
C4_21 C1_21 C2_21 F1_21 74.9(11) . . . . ?
C3_21 C1_21 C2_21 F1_21 -166.8(10) . . . . ?
O1_21 C1_21 C2_21 F3_21 71.6(11) . . . . ?
C4_21 C1_21 C2_21 F3_21 -167.3(9) . . . . ?
C3_21 C1_21 C2_21 F3_21 -49.0(12) . . . . ?
F2_21 C2_21 F1_21 Cs6 -112.6(14) . . . . ?
F3_21 C2_21 F1_21 Cs6 4.1(19) . . . . ?
C1_21 C2_21 F1_21 Cs6 123.8(12) . . . . ?
O1_21 C1_21 C3_21 F5_21 -44.5(12) . . . . ?
C4_21 C1_21 C3_21 F5_21 -166.5(10) . . . . ?
C2_21 C1_21 C3_21 F5_21 74.2(12) . . . . ?
O1_21 C1_21 C3_21 F6_21 -162.8(9) . . . . ?
C4_21 C1_21 C3_21 F6_21 75.2(12) . . . . ?
C2_21 C1_21 C3_21 F6_21 -44.1(12) . . . . ?
O1_21 C1_21 C3_21 F4_21 75.4(12) . . . . ?
C4_21 C1_21 C3_21 F4_21 -46.6(12) . . . . ?
C2_21 C1_21 C3_21 F4_21 -165.9(10) . . . . ?
F5_21 C3_21 F4_21 Cs4 -74.6(14) . . . . ?
F6_21 C3_21 F4_21 Cs4 38.8(15) . . . . ?
C1_21 C3_21 F4_21 Cs4 164.3(7) . . . . ?
O1_21 C1_21 C4_21 F7_21 -45.3(11) . . . . ?
C3_21 C1_21 C4_21 F7_21 76.6(11) . . . . ?
C2_21 C1_21 C4_21 F7_21 -164.3(9) . . . . ?
O1_21 C1_21 C4_21 F9_21 74.3(12) . . . . ?
C3_21 C1_21 C4_21 F9_21 -163.8(10) . . . . ?
C2_21 C1_21 C4_21 F9_21 -44.7(12) . . . . ?
O1_21 C1_21 C4_21 F8_21 -167.5(9) . . . . ?
C3_21 C1_21 C4_21 F8_21 -45.6(12) . . . . ?
C2_21 C1_21 C4_21 F8_21 73.5(11) . . . . ?
Al6 O1_20 C1_20 C2_20 -27.9(19) . . . . ?
Al6 O1_20 C1_20 C4_20 -148.5(13) . . . . ?
Al6 O1_20 C1_20 C3_20 92.0(16) . . . . ?
O1_20 C1_20 C2_20 F3_20 43.4(12) . . . . ?
C4_20 C1_20 C2_20 F3_20 163.6(9) . . . . ?
C3_20 C1_20 C2_20 F3_20 -77.2(11) . . . . ?
O1_20 C1_20 C2_20 F1_20 -76.0(11) . . . . ?
C4_20 C1_20 C2_20 F1_20 44.2(12) . . . . ?
C3_20 C1_20 C2_20 F1_20 163.4(9) . . . . ?
O1_20 C1_20 C2_20 F2_20 163.8(10) . . . . ?
C4_20 C1_20 C2_20 F2_20 -76.0(11) . . . . ?
C3_20 C1_20 C2_20 F2_20 43.2(12) . . . . ?
O1_20 C1_20 C3_20 F4_20 44.7(12) . . . . ?
C2_20 C1_20 C3_20 F4_20 165.9(10) . . . . ?
C4_20 C1_20 C3_20 F4_20 -74.7(12) . . . . ?
O1_20 C1_20 C3_20 F6_20 166.1(10) . . . . ?
C2_20 C1_20 C3_20 F6_20 -72.7(12) . . . . ?
C4_20 C1_20 C3_20 F6_20 46.7(13) . . . . ?
O1_20 C1_20 C3_20 F5_20 -76.0(12) . . . . ?
C2_20 C1_20 C3_20 F5_20 45.2(12) . . . . ?
C4_20 C1_20 C3_20 F5_20 164.6(10) . . . . ?
F4_20 C3_20 F5_20 Cs2 147.8(12) . . . 1_444 ?
F6_20 C3_20 F5_20 Cs2 32.6(19) . . . 1_444 ?
C1_20 C3_20 F5_20 Cs2 -89.1(15) . . . 1_444 ?
O1_20 C1_20 C4_20 F9_20 44.1(13) . . . . ?
C2_20 C1_20 C4_20 F9_20 -77.3(12) . . . . ?
C3_20 C1_20 C4_20 F9_20 163.9(11) . . . . ?
O1_20 C1_20 C4_20 F8_20 166.3(10) . . . . ?
C2_20 C1_20 C4_20 F8_20 44.9(13) . . . . ?
C3_20 C1_20 C4_20 F8_20 -73.9(12) . . . . ?
O1_20 C1_20 C4_20 F7_20 -74.4(12) . . . . ?
C2_20 C1_20 C4_20 F7_20 164.3(10) . . . . ?
C3_20 C1_20 C4_20 F7_20 45.5(12) . . . . ?
F9_20 C4_20 F7_20 Cs5 -3(2) . . . . ?
F8_20 C4_20 F7_20 Cs5 -117.8(16) . . . . ?
C1_20 C4_20 F7_20 Cs5 118.6(15) . . . . ?
Al6 O1_19 C1_19 C2_19 72.3(17) . . . . ?
Al6 O1_19 C1_19 C4_19 -46.2(19) . . . . ?
Al6 O1_19 C1_19 C3_19 -166.8(13) . . . . ?
O1_19 C1_19 C2_19 F1_19 -73.9(11) . . . . ?
C4_19 C1_19 C2_19 F1_19 47.3(11) . . . . ?
C3_19 C1_19 C2_19 F1_19 165.2(9) . . . . ?
O1_19 C1_19 C2_19 F3_19 43.7(12) . . . . ?
C4_19 C1_19 C2_19 F3_19 164.9(9) . . . . ?
C3_19 C1_19 C2_19 F3_19 -77.3(11) . . . . ?
O1_19 C1_19 C2_19 F2_19 162.7(9) . . . . ?
C4_19 C1_19 C2_19 F2_19 -76.0(11) . . . . ?
C3_19 C1_19 C2_19 F2_19 41.8(12) . . . . ?
F1_19 C2_19 F3_19 Cs4 -17.5(13) . . . 1_655 ?
F2_19 C2_19 F3_19 Cs4 97.0(11) . . . 1_655 ?
C1_19 C2_19 F3_19 Cs4 -140.1(7) . . . 1_655 ?
O1_19 C1_19 C3_19 F5_19 -72.3(11) . . . . ?
C2_19 C1_19 C3_19 F5_19 49.0(11) . . . . ?
C4_19 C1_19 C3_19 F5_19 165.6(9) . . . . ?
O1_19 C1_19 C3_19 F6_19 165.6(9) . . . . ?
C2_19 C1_19 C3_19 F6_19 -73.1(11) . . . . ?
C4_19 C1_19 C3_19 F6_19 43.4(12) . . . . ?
O1_19 C1_19 C3_19 F4_19 46.6(11) . . . . ?
C2_19 C1_19 C3_19 F4_19 167.9(9) . . . . ?
C4_19 C1_19 C3_19 F4_19 -75.6(11) . . . . ?
F5_19 C3_19 F6_19 Cs6 173.1(11) . . . . ?
F4_19 C3_19 F6_19 Cs6 54.7(18) . . . . ?
C1_19 C3_19 F6_19 Cs6 -64.6(18) . . . . ?
O1_19 C1_19 C4_19 F7_19 -75.2(12) . . . . ?
C2_19 C1_19 C4_19 F7_19 164.2(9) . . . . ?
C3_19 C1_19 C4_19 F7_19 46.0(12) . . . . ?
O1_19 C1_19 C4_19 F9_19 42.0(12) . . . . ?
C2_19 C1_19 C4_19 F9_19 -78.5(11) . . . . ?
C3_19 C1_19 C4_19 F9_19 163.2(9) . . . . ?
O1_19 C1_19 C4_19 F8_19 162.5(10) . . . . ?
C2_19 C1_19 C4_19 F8_19 42.0(12) . . . . ?
C3_19 C1_19 C4_19 F8_19 -76.3(11) . . . . ?
F7_19 C4_19 F8_19 Cs6 -31.7(10) . . . . ?
F9_19 C4_19 F8_19 Cs6 -145.1(7) . . . . ?
C1_19 C4_19 F8_19 Cs6 92.9(9) . . . . ?
Al6 O1_18 C1_18 C2_18 -78.8(16) . . . . ?
Al6 O1_18 C1_18 C4_18 162.5(12) . . . . ?
Al6 O1_18 C1_18 C3_18 42.0(17) . . . . ?
O1_18 C1_18 C2_18 F3_18 49.4(14) . . . . ?
C4_18 C1_18 C2_18 F3_18 168.3(11) . . . . ?
C3_18 C1_18 C2_18 F3_18 -74.1(13) . . . . ?
O1_18 C1_18 C2_18 F1_18 -63.6(13) . . . . ?
C4_18 C1_18 C2_18 F1_18 55.3(13) . . . . ?
C3_18 C1_18 C2_18 F1_18 172.8(11) . . . . ?
O1_18 C1_18 C2_18 F2_18 173.8(11) . . . . ?
C4_18 C1_18 C2_18 F2_18 -67.3(13) . . . . ?
C3_18 C1_18 C2_18 F2_18 50.3(14) . . . . ?
F1_18 C2_18 F3_18 Cs5 -121.6(8) . . . . ?
F2_18 C2_18 F3_18 Cs5 -8.4(13) . . . . ?
C1_18 C2_18 F3_18 Cs5 119.0(8) . . . . ?
O1_18 C1_18 C3_18 F4_18 41.3(15) . . . . ?
C2_18 C1_18 C3_18 F4_18 162.4(12) . . . . ?
C4_18 C1_18 C3_18 F4_18 -79.8(13) . . . . ?
O1_18 C1_18 C3_18 F6_18 165.5(10) . . . . ?
C2_18 C1_18 C3_18 F6_18 -73.4(12) . . . . ?
C4_18 C1_18 C3_18 F6_18 44.4(12) . . . . ?
O1_18 C1_18 C3_18 F5_18 -79.9(11) . . . . ?
C2_18 C1_18 C3_18 F5_18 41.2(12) . . . . ?
C4_18 C1_18 C3_18 F5_18 159.0(10) . . . . ?
O1_18 C1_18 C4_18 F8_18 165.2(11) . . . . ?
C2_18 C1_18 C4_18 F8_18 46.3(14) . . . . ?
C3_18 C1_18 C4_18 F8_18 -71.3(13) . . . . ?
O1_18 C1_18 C4_18 F7_18 -71.4(12) . . . . ?
C2_18 C1_18 C4_18 F7_18 169.7(10) . . . . ?
C3_18 C1_18 C4_18 F7_18 52.1(12) . . . . ?
O1_18 C1_18 C4_18 F9_18 42.4(13) . . . . ?
C2_18 C1_18 C4_18 F9_18 -76.5(12) . . . . ?
C3_18 C1_18 C4_18 F9_18 165.9(10) . . . . ?
F8_18 C4_18 F7_18 Cs4 -116.1(9) . . . 1_655 ?
F9_18 C4_18 F7_18 Cs4 -1.6(10) . . . 1_655 ?
C1_18 C4_18 F7_18 Cs4 116.4(8) . . . 1_655 ?
F8_18 C4_18 F9_18 Cs4 116.8(9) . . . 1_655 ?
F7_18 C4_18 F9_18 Cs4 1.8(11) . . . 1_655 ?
C1_18 C4_18 F9_18 Cs4 -116.0(8) . . . 1_655 ?
Al6 O1_17 C1_17 C3_17 155.1(14) . . . . ?
Al6 O1_17 C1_17 C2_17 36.4(19) . . . . ?
Al6 O1_17 C1_17 C4_17 -84.6(17) . . . . ?
O1_17 C1_17 C2_17 F2_17 -164.8(10) . . . . ?
C3_17 C1_17 C2_17 F2_17 77.1(11) . . . . ?
C4_17 C1_17 C2_17 F2_17 -42.5(12) . . . . ?
O1_17 C1_17 C2_17 F1_17 -43.8(12) . . . . ?
C3_17 C1_17 C2_17 F1_17 -161.8(9) . . . . ?
C4_17 C1_17 C2_17 F1_17 78.5(10) . . . . ?
O1_17 C1_17 C2_17 F3_17 73.6(11) . . . . ?
C3_17 C1_17 C2_17 F3_17 -44.4(11) . . . . ?
C4_17 C1_17 C2_17 F3_17 -164.1(8) . . . . ?
F2_17 C2_17 F1_17 Cs4 -62.0(12) . . . 1_655 ?
F3_17 C2_17 F1_17 Cs4 52.2(10) . . . 1_655 ?
C1_17 C2_17 F1_17 Cs4 173.2(6) . . . 1_655 ?
O1_17 C1_17 C3_17 F4_17 75.7(11) . . . . ?
C2_17 C1_17 C3_17 F4_17 -164.7(9) . . . . ?
C4_17 C1_17 C3_17 F4_17 -45.5(11) . . . . ?
O1_17 C1_17 C3_17 F5_17 -46.4(12) . . . . ?
C2_17 C1_17 C3_17 F5_17 73.1(10) . . . . ?
C4_17 C1_17 C3_17 F5_17 -167.7(9) . . . . ?
O1_17 C1_17 C3_17 F6_17 -165.8(9) . . . . ?
C2_17 C1_17 C3_17 F6_17 -46.2(11) . . . . ?
C4_17 C1_17 C3_17 F6_17 73.0(11) . . . . ?
F5_17 C3_17 F4_17 Cs2 97(3) . . . 1_444 ?
F6_17 C3_17 F4_17 Cs2 -148(2) . . . 1_444 ?
C1_17 C3_17 F4_17 Cs2 -26(3) . . . 1_444 ?
O1_17 C1_17 C4_17 F8_17 -164.4(9) . . . . ?
C3_17 C1_17 C4_17 F8_17 -45.2(12) . . . . ?
C2_17 C1_17 C4_17 F8_17 73.9(11) . . . . ?
O1_17 C1_17 C4_17 F9_17 72.3(11) . . . . ?
C3_17 C1_17 C4_17 F9_17 -168.5(9) . . . . ?
C2_17 C1_17 C4_17 F9_17 -49.4(11) . . . . ?
O1_17 C1_17 C4_17 F7_17 -44.0(11) . . . . ?
C3_17 C1_17 C4_17 F7_17 75.2(10) . . . . ?
C2_17 C1_17 C4_17 F7_17 -165.7(9) . . . . ?
F8_17 C4_17 F7_17 Cs2 61.0(13) . . . 1_444 ?
F9_17 C4_17 F7_17 Cs2 179.2(7) . . . 1_444 ?
C1_17 C4_17 F7_17 Cs2 -61.9(12) . . . 1_444 ?
Al2 O1_16 C1_16 C4_16 122.2(13) . . . . ?
Al2 O1_16 C1_16 C3_16 2.2(18) . . . . ?
Al2 O1_16 C1_16 C2_16 -118.9(13) . . . . ?
O1_16 C1_16 C2_16 F3_16 43.6(11) . . . . ?
C4_16 C1_16 C2_16 F3_16 162.1(9) . . . . ?
C3_16 C1_16 C2_16 F3_16 -79.7(10) . . . . ?
O1_16 C1_16 C2_16 F1_16 -76.3(11) . . . . ?
C4_16 C1_16 C2_16 F1_16 42.2(11) . . . . ?
C3_16 C1_16 C2_16 F1_16 160.4(8) . . . . ?
O1_16 C1_16 C2_16 F2_16 164.1(9) . . . . ?
C4_16 C1_16 C2_16 F2_16 -77.4(11) . . . . ?
C3_16 C1_16 C2_16 F2_16 40.8(11) . . . . ?
F3_16 C2_16 F1_16 Cs1 162.1(6) . . . 1_656 ?
F2_16 C2_16 F1_16 Cs1 45.3(11) . . . 1_656 ?
C1_16 C2_16 F1_16 Cs1 -76.8(9) . . . 1_656 ?
O1_16 C1_16 C3_16 F6_16 161.5(9) . . . . ?
C4_16 C1_16 C3_16 F6_16 41.4(11) . . . . ?
C2_16 C1_16 C3_16 F6_16 -77.3(11) . . . . ?
O1_16 C1_16 C3_16 F5_16 -76.3(11) . . . . ?
C4_16 C1_16 C3_16 F5_16 163.5(8) . . . . ?
C2_16 C1_16 C3_16 F5_16 44.8(11) . . . . ?
O1_16 C1_16 C3_16 F4_16 41.3(11) . . . . ?
C4_16 C1_16 C3_16 F4_16 -78.8(10) . . . . ?
C2_16 C1_16 C3_16 F4_16 162.5(9) . . . . ?
F6_16 C3_16 F4_16 Cs3 47.7(13) . . . . ?
F5_16 C3_16 F4_16 Cs3 -67.5(12) . . . . ?
C1_16 C3_16 F4_16 Cs3 172.0(6) . . . . ?
O1_16 C1_16 C4_16 F7_16 -77.7(10) . . . . ?
C3_16 C1_16 C4_16 F7_16 44.9(10) . . . . ?
C2_16 C1_16 C4_16 F7_16 163.5(8) . . . . ?
O1_16 C1_16 C4_16 F9_16 42.1(11) . . . . ?
C3_16 C1_16 C4_16 F9_16 164.7(8) . . . . ?
C2_16 C1_16 C4_16 F9_16 -76.7(10) . . . . ?
O1_16 C1_16 C4_16 F8_16 162.3(9) . . . . ?
C3_16 C1_16 C4_16 F8_16 -75.0(10) . . . . ?
C2_16 C1_16 C4_16 F8_16 43.6(11) . . . . ?
F7_16 C4_16 F8_16 Cs1 133.3(7) . . . 1_656 ?
F9_16 C4_16 F8_16 Cs1 18.4(10) . . . 1_656 ?
C1_16 C4_16 F8_16 Cs1 -104.7(8) . . . 1_656 ?
F7_16 C4_16 F9_16 Cs1 -129.4(7) . . . 1_656 ?
F8_16 C4_16 F9_16 Cs1 -14.9(8) . . . 1_656 ?
C1_16 C4_16 F9_16 Cs1 109.0(7) . . . 1_656 ?
Al2 O1_15 C1_15 C2_15 -61.6(15) . . . . ?
Al2 O1_15 C1_15 C3_15 59.9(15) . . . . ?
Al2 O1_15 C1_15 C4_15 179.9(11) . . . . ?
O1_15 C1_15 C2_15 F2_15 -162.1(10) . . . . ?
C3_15 C1_15 C2_15 F2_15 75.0(11) . . . . ?
C4_15 C1_15 C2_15 F2_15 -44.3(12) . . . . ?
O1_15 C1_15 C2_15 F1_15 -40.6(12) . . . . ?
C3_15 C1_15 C2_15 F1_15 -163.4(9) . . . . ?
C4_15 C1_15 C2_15 F1_15 77.2(11) . . . . ?
O1_15 C1_15 C2_15 F3_15 77.9(11) . . . . ?
C3_15 C1_15 C2_15 F3_15 -45.0(11) . . . . ?
C4_15 C1_15 C2_15 F3_15 -164.3(8) . . . . ?
F2_15 C2_15 F3_15 Cs2 55.8(11) . . . 1_445 ?
F1_15 C2_15 F3_15 Cs2 -60.7(10) . . . 1_445 ?
C1_15 C2_15 F3_15 Cs2 179.2(6) . . . 1_445 ?
O1_15 C1_15 C3_15 F5_15 -45.9(12) . . . . ?
C2_15 C1_15 C3_15 F5_15 77.4(10) . . . . ?
C4_15 C1_15 C3_15 F5_15 -164.2(9) . . . . ?
O1_15 C1_15 C3_15 F4_15 71.9(11) . . . . ?
C2_15 C1_15 C3_15 F4_15 -164.8(8) . . . . ?
C4_15 C1_15 C3_15 F4_15 -46.4(11) . . . . ?
O1_15 C1_15 C3_15 F6_15 -166.5(9) . . . . ?
C2_15 C1_15 C3_15 F6_15 -43.2(12) . . . . ?
C4_15 C1_15 C3_15 F6_15 75.2(11) . . . . ?
O1_15 C1_15 C4_15 F8_15 -165.9(9) . . . . ?
C2_15 C1_15 C4_15 F8_15 73.3(11) . . . . ?
C3_15 C1_15 C4_15 F8_15 -45.3(12) . . . . ?
O1_15 C1_15 C4_15 F9_15 73.9(10) . . . . ?
C2_15 C1_15 C4_15 F9_15 -46.9(11) . . . . ?
C3_15 C1_15 C4_15 F9_15 -165.5(8) . . . . ?
O1_15 C1_15 C4_15 F7_15 -43.3(12) . . . . ?
C2_15 C1_15 C4_15 F7_15 -164.1(10) . . . . ?
C3_15 C1_15 C4_15 F7_15 77.4(11) . . . . ?
Al2 O1_14 C1_14 C3_14 -151.3(11) . . . . ?
Al2 O1_14 C1_14 C4_14 -31.5(16) . . . . ?
Al2 O1_14 C1_14 C2_14 89.0(14) . . . . ?
O1_14 C1_14 C2_14 F1_14 -43.6(11) . . . . ?
C3_14 C1_14 C2_14 F1_14 -162.9(8) . . . . ?
C4_14 C1_14 C2_14 F1_14 79.4(10) . . . . ?
O1_14 C1_14 C2_14 F2_14 -165.1(8) . . . . ?
C3_14 C1_14 C2_14 F2_14 75.6(10) . . . . ?
C4_14 C1_14 C2_14 F2_14 -42.1(11) . . . . ?
O1_14 C1_14 C2_14 F3_14 74.5(10) . . . . ?
C3_14 C1_14 C2_14 F3_14 -44.8(11) . . . . ?
C4_14 C1_14 C2_14 F3_14 -162.5(8) . . . . ?
F1_14 C2_14 F3_14 Cs2 136.9(16) . . . 1_445 ?
F2_14 C2_14 F3_14 Cs2 -107.0(18) . . . 1_445 ?
C1_14 C2_14 F3_14 Cs2 17(2) . . . 1_445 ?
O1_14 C1_14 C3_14 F6_14 -164.0(9) . . . . ?
C4_14 C1_14 C3_14 F6_14 74.0(11) . . . . ?
C2_14 C1_14 C3_14 F6_14 -43.2(11) . . . . ?
O1_14 C1_14 C3_14 F5_14 -43.0(11) . . . . ?
C4_14 C1_14 C3_14 F5_14 -165.1(9) . . . . ?
C2_14 C1_14 C3_14 F5_14 77.7(10) . . . . ?
O1_14 C1_14 C3_14 F4_14 75.4(10) . . . . ?
C4_14 C1_14 C3_14 F4_14 -46.6(11) . . . . ?
C2_14 C1_14 C3_14 F4_14 -163.8(8) . . . . ?
F6_14 C3_14 F4_14 Cs5 -85.7(12) . . . . ?
F5_14 C3_14 F4_14 Cs5 158.5(8) . . . . ?
C1_14 C3_14 F4_14 Cs5 38.4(15) . . . . ?
F6_14 C3_14 F5_14 Cs2 42.1(12) . . . 1_445 ?
F4_14 C3_14 F5_14 Cs2 157.8(6) . . . 1_445 ?
C1_14 C3_14 F5_14 Cs2 -82.3(10) . . . 1_445 ?
O1_14 C1_14 C4_14 F9_14 78.4(11) . . . . ?
C3_14 C1_14 C4_14 F9_14 -161.8(9) . . . . ?
C2_14 C1_14 C4_14 F9_14 -43.8(11) . . . . ?
O1_14 C1_14 C4_14 F8_14 -159.3(9) . . . . ?
C3_14 C1_14 C4_14 F8_14 -39.6(12) . . . . ?
C2_14 C1_14 C4_14 F8_14 78.5(10) . . . . ?
O1_14 C1_14 C4_14 F7_14 -39.4(11) . . . . ?
C3_14 C1_14 C4_14 F7_14 80.4(10) . . . . ?
C2_14 C1_14 C4_14 F7_14 -161.6(8) . . . . ?
F9_14 C4_14 F7_14 Cs5 129.9(7) . . . . ?
F8_14 C4_14 F7_14 Cs5 14.2(11) . . . . ?
C1_14 C4_14 F7_14 Cs5 -108.9(8) . . . . ?
Al2 O1_13 C1_13 C2_13 -37.7(16) . . . . ?
Al2 O1_13 C1_13 C4_13 -157.8(11) . . . . ?
Al2 O1_13 C1_13 C3_13 83.4(14) . . . . ?
O1_13 C1_13 C2_13 F2_13 162.2(8) . . . . ?
C4_13 C1_13 C2_13 F2_13 -77.9(10) . . . . ?
C3_13 C1_13 C2_13 F2_13 39.6(10) . . . . ?
O1_13 C1_13 C2_13 F3_13 41.0(11) . . . . ?
C4_13 C1_13 C2_13 F3_13 160.8(9) . . . . ?
C3_13 C1_13 C2_13 F3_13 -81.6(10) . . . . ?
O1_13 C1_13 C2_13 F1_13 -76.0(10) . . . . ?
C4_13 C1_13 C2_13 F1_13 43.8(11) . . . . ?
C3_13 C1_13 C2_13 F1_13 161.3(9) . . . . ?
F2_13 C2_13 F1_13 Cs5 97.4(17) . . . . ?
F3_13 C2_13 F1_13 Cs5 -146.2(14) . . . . ?
C1_13 C2_13 F1_13 Cs5 -27(2) . . . . ?
O1_13 C1_13 C3_13 F6_13 161.0(8) . . . . ?
C2_13 C1_13 C3_13 F6_13 -76.2(10) . . . . ?
C4_13 C1_13 C3_13 F6_13 41.9(11) . . . . ?
O1_13 C1_13 C3_13 F4_13 40.8(10) . . . . ?
C2_13 C1_13 C3_13 F4_13 163.6(8) . . . . ?
C4_13 C1_13 C3_13 F4_13 -78.2(10) . . . . ?
O1_13 C1_13 C3_13 F5_13 -76.8(10) . . . . ?
C2_13 C1_13 C3_13 F5_13 46.0(11) . . . . ?
C4_13 C1_13 C3_13 F5_13 164.2(8) . . . . ?
F6_13 C3_13 F4_13 Cs3 98.4(9) . . . . ?
F5_13 C3_13 F4_13 Cs3 -19.6(12) . . . . ?
C1_13 C3_13 F4_13 Cs3 -139.1(6) . . . . ?
O1_13 C1_13 C4_13 F7_13 -73.4(11) . . . . ?
C2_13 C1_13 C4_13 F7_13 165.0(9) . . . . ?
C3_13 C1_13 C4_13 F7_13 47.2(11) . . . . ?
O1_13 C1_13 C4_13 F8_13 163.2(9) . . . . ?
C2_13 C1_13 C4_13 F8_13 41.6(11) . . . . ?
C3_13 C1_13 C4_13 F8_13 -76.2(10) . . . . ?
O1_13 C1_13 C4_13 F9_13 45.7(10) . . . . ?
C2_13 C1_13 C4_13 F9_13 -75.9(10) . . . . ?
C3_13 C1_13 C4_13 F9_13 166.3(8) . . . . ?
F7_13 C4_13 F9_13 Cs5 -149.4(6) . . . . ?
F8_13 C4_13 F9_13 Cs5 -32.9(11) . . . . ?
C1_13 C4_13 F9_13 Cs5 89.5(9) . . . . ?
Al3 O1_12 C1_12 C4_12 3.9(18) . . . . ?
Al3 O1_12 C1_12 C3_12 -117.5(14) . . . . ?
Al3 O1_12 C1_12 C2_12 123.4(13) . . . . ?
O1_12 C1_12 C2_12 F3_12 41.8(10) . . . . ?
C4_12 C1_12 C2_12 F3_12 163.5(8) . . . . ?
C3_12 C1_12 C2_12 F3_12 -77.7(10) . . . . ?
O1_12 C1_12 C2_12 F2_12 162.4(9) . . . . ?
C4_12 C1_12 C2_12 F2_12 -76.0(10) . . . . ?
C3_12 C1_12 C2_12 F2_12 42.9(11) . . . . ?
O1_12 C1_12 C2_12 F1_12 -77.1(10) . . . . ?
C4_12 C1_12 C2_12 F1_12 44.5(10) . . . . ?
C3_12 C1_12 C2_12 F1_12 163.4(8) . . . . ?
F3_12 C2_12 F2_12 Cs3 17.8(10) . . . 1_655 ?
F1_12 C2_12 F2_12 Cs3 134.3(7) . . . 1_655 ?
C1_12 C2_12 F2_12 Cs3 -103.8(8) . . . 1_655 ?
F2_12 C2_12 F3_12 Cs3 -13.9(8) . . . 1_655 ?
F1_12 C2_12 F3_12 Cs3 -130.3(7) . . . 1_655 ?
C1_12 C2_12 F3_12 Cs3 109.2(6) . . . 1_655 ?
O1_12 C1_12 C3_12 F4_12 42.8(12) . . . . ?
C4_12 C1_12 C3_12 F4_12 -80.3(10) . . . . ?
C2_12 C1_12 C3_12 F4_12 161.2(9) . . . . ?
O1_12 C1_12 C3_12 F6_12 164.4(9) . . . . ?
C4_12 C1_12 C3_12 F6_12 41.3(12) . . . . ?
C2_12 C1_12 C3_12 F6_12 -77.2(11) . . . . ?
O1_12 C1_12 C3_12 F5_12 -75.8(11) . . . . ?
C4_12 C1_12 C3_12 F5_12 161.1(8) . . . . ?
C2_12 C1_12 C3_12 F5_12 42.6(11) . . . . ?
F4_12 C3_12 F5_12 Cs3 160.6(6) . . . 1_655 ?
F6_12 C3_12 F5_12 Cs3 44.3(11) . . . 1_655 ?
C1_12 C3_12 F5_12 Cs3 -79.5(9) . . . 1_655 ?
O1_12 C1_12 C4_12 F7_12 -78.8(10) . . . . ?
C3_12 C1_12 C4_12 F7_12 43.1(10) . . . . ?
C2_12 C1_12 C4_12 F7_12 162.0(8) . . . . ?
O1_12 C1_12 C4_12 F8_12 161.1(8) . . . . ?
C3_12 C1_12 C4_12 F8_12 -77.1(10) . . . . ?
C2_12 C1_12 C4_12 F8_12 41.8(10) . . . . ?
O1_12 C1_12 C4_12 F9_12 41.0(11) . . . . ?
C3_12 C1_12 C4_12 F9_12 162.9(8) . . . . ?
C2_12 C1_12 C4_12 F9_12 -78.2(10) . . . . ?
F7_12 C4_12 F9_12 Cs2 -67.9(12) . . . . ?
F8_12 C4_12 F9_12 Cs2 49.4(13) . . . . ?
C1_12 C4_12 F9_12 Cs2 171.6(6) . . . . ?
Al3 O1_11 C1_11 C4_11 83.2(14) . . . . ?
Al3 O1_11 C1_11 C2_11 -159.2(10) . . . . ?
Al3 O1_11 C1_11 C3_11 -38.0(16) . . . . ?
O1_11 C1_11 C2_11 F1_11 -72.0(11) . . . . ?
C4_11 C1_11 C2_11 F1_11 46.9(11) . . . . ?
C3_11 C1_11 C2_11 F1_11 166.6(9) . . . . ?
O1_11 C1_11 C2_11 F2_11 166.4(9) . . . . ?
C4_11 C1_11 C2_11 F2_11 -74.7(10) . . . . ?
C3_11 C1_11 C2_11 F2_11 44.9(11) . . . . ?
O1_11 C1_11 C2_11 F3_11 47.0(10) . . . . ?
C4_11 C1_11 C2_11 F3_11 165.9(8) . . . . ?
C3_11 C1_11 C2_11 F3_11 -74.5(10) . . . . ?
F1_11 C2_11 F3_11 Cs4 -151.8(6) . . . 1_655 ?
F2_11 C2_11 F3_11 Cs4 -35.2(12) . . . 1_655 ?
C1_11 C2_11 F3_11 Cs4 86.3(10) . . . 1_655 ?
O1_11 C1_11 C3_11 F4_11 42.5(11) . . . . ?
C4_11 C1_11 C3_11 F4_11 -79.5(11) . . . . ?
C2_11 C1_11 C3_11 F4_11 161.5(9) . . . . ?
O1_11 C1_11 C3_11 F6_11 164.4(8) . . . . ?
C4_11 C1_11 C3_11 F6_11 42.5(11) . . . . ?
C2_11 C1_11 C3_11 F6_11 -76.6(10) . . . . ?
O1_11 C1_11 C3_11 F5_11 -77.0(10) . . . . ?
C4_11 C1_11 C3_11 F5_11 161.0(9) . . . . ?
C2_11 C1_11 C3_11 F5_11 42.0(11) . . . . ?
F4_11 C3_11 F5_11 Cs4 -143.6(15) . . . 1_655 ?
F6_11 C3_11 F5_11 Cs4 99.9(18) . . . 1_655 ?
C1_11 C3_11 F5_11 Cs4 -22(2) . . . 1_655 ?
O1_11 C1_11 C4_11 F8_11 160.6(8) . . . . ?
C2_11 C1_11 C4_11 F8_11 43.7(11) . . . . ?
C3_11 C1_11 C4_11 F8_11 -76.9(10) . . . . ?
O1_11 C1_11 C4_11 F7_11 -79.5(10) . . . . ?
C2_11 C1_11 C4_11 F7_11 163.6(9) . . . . ?
C3_11 C1_11 C4_11 F7_11 43.0(11) . . . . ?
O1_11 C1_11 C4_11 F9_11 40.0(11) . . . . ?
C2_11 C1_11 C4_11 F9_11 -76.9(10) . . . . ?
C3_11 C1_11 C4_11 F9_11 162.5(9) . . . . ?
F8_11 C4_11 F9_11 Cs2 98.6(9) . . . . ?
F7_11 C4_11 F9_11 Cs2 -15.7(12) . . . . ?
C1_11 C4_11 F9_11 Cs2 -137.3(7) . . . . ?
Al3 O1_10 C1_10 C3_10 -30.8(17) . . . . ?
Al3 O1_10 C1_10 C4_10 90.7(14) . . . . ?
Al3 O1_10 C1_10 C2_10 -150.5(12) . . . . ?
O1_10 C1_10 C2_10 F2_10 -165.0(9) . . . . ?
C3_10 C1_10 C2_10 F2_10 74.4(11) . . . . ?
C4_10 C1_10 C2_10 F2_10 -45.8(11) . . . . ?
O1_10 C1_10 C2_10 F1_10 -42.1(11) . . . . ?
C3_10 C1_10 C2_10 F1_10 -162.7(9) . . . . ?
C4_10 C1_10 C2_10 F1_10 77.1(10) . . . . ?
O1_10 C1_10 C2_10 F3_10 75.1(10) . . . . ?
C3_10 C1_10 C2_10 F3_10 -45.5(11) . . . . ?
C4_10 C1_10 C2_10 F3_10 -165.7(8) . . . . ?
F2_10 C2_10 F1_10 Cs1 42.7(12) . . . 1_656 ?
F3_10 C2_10 F1_10 Cs1 158.5(6) . . . 1_656 ?
C1_10 C2_10 F1_10 Cs1 -81.9(10) . . . 1_656 ?
F2_10 C2_10 F3_10 Cs4 -81.7(14) . . . 1_655 ?
F1_10 C2_10 F3_10 Cs4 161.2(9) . . . 1_655 ?
C1_10 C2_10 F3_10 Cs4 41.2(16) . . . 1_655 ?
O1_10 C1_10 C3_10 F5_10 -40.1(11) . . . . ?
C4_10 C1_10 C3_10 F5_10 -161.4(8) . . . . ?
C2_10 C1_10 C3_10 F5_10 79.1(10) . . . . ?
O1_10 C1_10 C3_10 F6_10 -161.6(9) . . . . ?
C4_10 C1_10 C3_10 F6_10 77.1(10) . . . . ?
C2_10 C1_10 C3_10 F6_10 -42.4(11) . . . . ?
O1_10 C1_10 C3_10 F4_10 79.3(11) . . . . ?
C4_10 C1_10 C3_10 F4_10 -42.0(11) . . . . ?
C2_10 C1_10 C3_10 F4_10 -161.5(9) . . . . ?
F6_10 C3_10 F5_10 Cs4 22.5(11) . . . 1_655 ?
F4_10 C3_10 F5_10 Cs4 135.9(7) . . . 1_655 ?
C1_10 C3_10 F5_10 Cs4 -101.9(8) . . . 1_655 ?
O1_10 C1_10 C4_10 F8_10 -164.1(8) . . . . ?
C3_10 C1_10 C4_10 F8_10 -42.2(11) . . . . ?
C2_10 C1_10 C4_10 F8_10 77.5(10) . . . . ?
O1_10 C1_10 C4_10 F7_10 -43.2(10) . . . . ?
C3_10 C1_10 C4_10 F7_10 78.7(10) . . . . ?
C2_10 C1_10 C4_10 F7_10 -161.6(8) . . . . ?
O1_10 C1_10 C4_10 F9_10 75.1(10) . . . . ?
C3_10 C1_10 C4_10 F9_10 -163.0(8) . . . . ?
C2_10 C1_10 C4_10 F9_10 -43.3(11) . . . . ?
F8_10 C4_10 F9_10 Cs1 -109(2) . . . 1_656 ?
F7_10 C4_10 F9_10 Cs1 135.2(18) . . . 1_656 ?
C1_10 C4_10 F9_10 Cs1 15(3) . . . 1_656 ?
Al3 O1_9 C1_9 C2_9 -54.0(17) . . . . ?
Al3 O1_9 C1_9 C3_9 69.6(16) . . . . ?
Al3 O1_9 C1_9 C4_9 -172.1(12) . . . . ?
O1_9 C1_9 C2_9 F1_9 -42.9(12) . . . . ?
C3_9 C1_9 C2_9 F1_9 -167.7(9) . . . . ?
C4_9 C1_9 C2_9 F1_9 76.2(11) . . . . ?
O1_9 C1_9 C2_9 F3_9 75.9(11) . . . . ?
C3_9 C1_9 C2_9 F3_9 -48.8(11) . . . . ?
C4_9 C1_9 C2_9 F3_9 -165.0(9) . . . . ?
O1_9 C1_9 C2_9 F2_9 -163.8(10) . . . . ?
C3_9 C1_9 C2_9 F2_9 71.5(11) . . . . ?
C4_9 C1_9 C2_9 F2_9 -44.7(12) . . . . ?
F1_9 C2_9 F3_9 Cs1 -58.8(10) . . . 1_656 ?
F2_9 C2_9 F3_9 Cs1 55.3(11) . . . 1_656 ?
C1_9 C2_9 F3_9 Cs1 179.4(6) . . . 1_656 ?
O1_9 C1_9 C3_9 F6_9 -166.0(10) . . . . ?
C2_9 C1_9 C3_9 F6_9 -40.6(13) . . . . ?
C4_9 C1_9 C3_9 F6_9 75.1(12) . . . . ?
O1_9 C1_9 C3_9 F4_9 69.6(11) . . . . ?
C2_9 C1_9 C3_9 F4_9 -165.1(8) . . . . ?
C4_9 C1_9 C3_9 F4_9 -49.4(11) . . . . ?
O1_9 C1_9 C3_9 F5_9 -48.1(12) . . . . ?
C2_9 C1_9 C3_9 F5_9 77.2(10) . . . . ?
C4_9 C1_9 C3_9 F5_9 -167.1(9) . . . . ?
O1_9 C1_9 C4_9 F8_9 -163.4(9) . . . . ?
C2_9 C1_9 C4_9 F8_9 74.9(11) . . . . ?
C3_9 C1_9 C4_9 F8_9 -42.5(12) . . . . ?
O1_9 C1_9 C4_9 F9_9 74.5(11) . . . . ?
C2_9 C1_9 C4_9 F9_9 -47.2(11) . . . . ?
C3_9 C1_9 C4_9 F9_9 -164.6(9) . . . . ?
O1_9 C1_9 C4_9 F7_9 -43.5(12) . . . . ?
C2_9 C1_9 C4_9 F7_9 -165.2(9) . . . . ?
C3_9 C1_9 C4_9 F7_9 77.4(11) . . . . ?
Al4 O1_8 C1_8 C4_8 4.1(17) . . . . ?
Al4 O1_8 C1_8 C3_8 -116.8(13) . . . . ?
Al4 O1_8 C1_8 C2_8 123.9(12) . . . . ?
O1_8 C1_8 C2_8 F1_8 -78.1(10) . . . . ?
C4_8 C1_8 C2_8 F1_8 43.6(10) . . . . ?
C3_8 C1_8 C2_8 F1_8 162.4(8) . . . . ?
O1_8 C1_8 C2_8 F3_8 43.1(11) . . . . ?
C4_8 C1_8 C2_8 F3_8 164.7(8) . . . . ?
C3_8 C1_8 C2_8 F3_8 -76.4(10) . . . . ?
O1_8 C1_8 C2_8 F2_8 162.5(9) . . . . ?
C4_8 C1_8 C2_8 F2_8 -75.9(10) . . . . ?
C3_8 C1_8 C2_8 F2_8 43.0(11) . . . . ?
O1_8 C1_8 C2_8 Cs2 110.9(7) . . . 1_444 ?
C4_8 C1_8 C2_8 Cs2 -127.5(6) . . . 1_444 ?
C3_8 C1_8 C2_8 Cs2 -8.6(9) . . . 1_444 ?
F1_8 C2_8 F2_8 Cs2 131.1(7) . . . 1_444 ?
F3_8 C2_8 F2_8 Cs2 13.5(10) . . . 1_444 ?
C1_8 C2_8 F2_8 Cs2 -108.0(7) . . . 1_444 ?
F1_8 C2_8 F3_8 Cs2 -127.7(7) . . . 1_444 ?
F2_8 C2_8 F3_8 Cs2 -11.2(8) . . . 1_444 ?
C1_8 C2_8 F3_8 Cs2 110.6(7) . . . 1_444 ?
O1_8 C1_8 C3_8 F4_8 44.0(12) . . . . ?
C4_8 C1_8 C3_8 F4_8 -78.4(11) . . . . ?
C2_8 C1_8 C3_8 F4_8 163.0(9) . . . . ?
O1_8 C1_8 C3_8 F5_8 -75.1(10) . . . . ?
C4_8 C1_8 C3_8 F5_8 162.5(8) . . . . ?
C2_8 C1_8 C3_8 F5_8 43.9(11) . . . . ?
O1_8 C1_8 C3_8 F6_8 164.8(9) . . . . ?
C4_8 C1_8 C3_8 F6_8 42.4(11) . . . . ?
C2_8 C1_8 C3_8 F6_8 -76.2(11) . . . . ?
F4_8 C3_8 F5_8 Cs2 163.6(6) . . . 1_444 ?
F6_8 C3_8 F5_8 Cs2 47.1(11) . . . 1_444 ?
C1_8 C3_8 F5_8 Cs2 -75.6(9) . . . 1_444 ?
O1_8 C1_8 C4_8 F9_8 40.7(12) . . . . ?
C3_8 C1_8 C4_8 F9_8 161.8(9) . . . . ?
C2_8 C1_8 C4_8 F9_8 -79.2(10) . . . . ?
O1_8 C1_8 C4_8 F8_8 161.0(9) . . . . ?
C3_8 C1_8 C4_8 F8_8 -77.8(10) . . . . ?
C2_8 C1_8 C4_8 F8_8 41.1(11) . . . . ?
O1_8 C1_8 C4_8 F7_8 -79.7(10) . . . . ?
C3_8 C1_8 C4_8 F7_8 41.5(11) . . . . ?
C2_8 C1_8 C4_8 F7_8 160.4(8) . . . . ?
F8_8 C4_8 F9_8 Cs1 46.1(14) . . . . ?
F7_8 C4_8 F9_8 Cs1 -67.9(13) . . . . ?
C1_8 C4_8 F9_8 Cs1 169.4(6) . . . . ?
Al4 O1_7 C1_7 C4_7 -39.0(16) . . . . ?
Al4 O1_7 C1_7 C3_7 -158.6(11) . . . . ?
Al4 O1_7 C1_7 C2_7 82.4(14) . . . . ?
O1_7 C1_7 C2_7 F3_7 41.3(11) . . . . ?
C4_7 C1_7 C2_7 F3_7 164.5(9) . . . . ?
C3_7 C1_7 C2_7 F3_7 -76.6(10) . . . . ?
O1_7 C1_7 C2_7 F1_7 -78.3(10) . . . . ?
C4_7 C1_7 C2_7 F1_7 44.8(11) . . . . ?
C3_7 C1_7 C2_7 F1_7 163.7(8) . . . . ?
O1_7 C1_7 C2_7 F2_7 161.2(8) . . . . ?
C4_7 C1_7 C2_7 F2_7 -75.6(10) . . . . ?
C3_7 C1_7 C2_7 F2_7 43.2(10) . . . . ?
F1_7 C2_7 F3_7 Cs1 -16.0(12) . . . . ?
F2_7 C2_7 F3_7 Cs1 98.9(9) . . . . ?
C1_7 C2_7 F3_7 Cs1 -138.2(7) . . . . ?
O1_7 C1_7 C3_7 F6_7 166.2(9) . . . . ?
C4_7 C1_7 C3_7 F6_7 44.6(11) . . . . ?
C2_7 C1_7 C3_7 F6_7 -74.6(11) . . . . ?
O1_7 C1_7 C3_7 F4_7 45.7(11) . . . . ?
C4_7 C1_7 C3_7 F4_7 -76.0(10) . . . . ?
C2_7 C1_7 C3_7 F4_7 164.9(8) . . . . ?
O1_7 C1_7 C3_7 F5_7 -74.3(11) . . . . ?
C4_7 C1_7 C3_7 F5_7 164.1(9) . . . . ?
C2_7 C1_7 C3_7 F5_7 44.9(11) . . . . ?
F6_7 C3_7 F4_7 Cs6 -35.2(12) . . . 1_444 ?
F5_7 C3_7 F4_7 Cs6 -151.8(7) . . . 1_444 ?
C1_7 C3_7 F4_7 Cs6 87.6(9) . . . 1_444 ?
O1_7 C1_7 C4_7 F7_7 -76.5(11) . . . . ?
C3_7 C1_7 C4_7 F7_7 42.5(11) . . . . ?
C2_7 C1_7 C4_7 F7_7 161.7(9) . . . . ?
O1_7 C1_7 C4_7 F8_7 162.3(9) . . . . ?
C3_7 C1_7 C4_7 F8_7 -78.7(11) . . . . ?
C2_7 C1_7 C4_7 F8_7 40.5(11) . . . . ?
O1_7 C1_7 C4_7 F9_7 42.4(11) . . . . ?
C3_7 C1_7 C4_7 F9_7 161.4(9) . . . . ?
C2_7 C1_7 C4_7 F9_7 -79.4(10) . . . . ?
F8_7 C4_7 F7_7 Cs6 100.6(17) . . . 1_444 ?
F9_7 C4_7 F7_7 Cs6 -144.9(14) . . . 1_444 ?
C1_7 C4_7 F7_7 Cs6 -24(2) . . . 1_444 ?
Al4 O1_5 C1_5 C3_5 64.1(16) . . . . ?
Al4 O1_5 C1_5 C4_5 -175.2(12) . . . . ?
Al4 O1_5 C1_5 C2_5 -57.1(17) . . . . ?
O1_5 C1_5 C2_5 F1_5 -43.2(12) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.6(9) . . . . ?
C4_5 C1_5 C2_5 F1_5 74.4(11) . . . . ?
O1_5 C1_5 C2_5 F3_5 74.7(11) . . . . ?
C3_5 C1_5 C2_5 F3_5 -46.7(11) . . . . ?
C4_5 C1_5 C2_5 F3_5 -167.6(9) . . . . ?
O1_5 C1_5 C2_5 F2_5 -165.1(10) . . . . ?
C3_5 C1_5 C2_5 F2_5 73.5(11) . . . . ?
C4_5 C1_5 C2_5 F2_5 -47.5(12) . . . . ?
F1_5 C2_5 F3_5 Cs3 -60.9(10) . . . 1_444 ?
F2_5 C2_5 F3_5 Cs3 55.1(10) . . . 1_444 ?
C1_5 C2_5 F3_5 Cs3 178.0(5) . . . 1_444 ?
O1_5 C1_5 C3_5 F5_5 -47.3(11) . . . . ?
C4_5 C1_5 C3_5 F5_5 -166.3(9) . . . . ?
C2_5 C1_5 C3_5 F5_5 74.1(11) . . . . ?
O1_5 C1_5 C3_5 F4_5 72.7(11) . . . . ?
C4_5 C1_5 C3_5 F4_5 -46.3(11) . . . . ?
C2_5 C1_5 C3_5 F4_5 -165.9(8) . . . . ?
O1_5 C1_5 C3_5 F6_5 -166.4(10) . . . . ?
C4_5 C1_5 C3_5 F6_5 74.6(11) . . . . ?
C2_5 C1_5 C3_5 F6_5 -45.0(12) . . . . ?
O1_5 C1_5 C4_5 F9_5 73.3(10) . . . . ?
C3_5 C1_5 C4_5 F9_5 -166.2(9) . . . . ?
C2_5 C1_5 C4_5 F9_5 -45.8(11) . . . . ?
O1_5 C1_5 C4_5 F8_5 -164.8(9) . . . . ?
C3_5 C1_5 C4_5 F8_5 -44.4(11) . . . . ?
C2_5 C1_5 C4_5 F8_5 76.0(10) . . . . ?
O1_5 C1_5 C4_5 F7_5 -46.0(11) . . . . ?
C3_5 C1_5 C4_5 F7_5 74.4(11) . . . . ?
C2_5 C1_5 C4_5 F7_5 -165.1(9) . . . . ?
Al1 O1_4 C1_4 C4_4 -162.4(13) . . . . ?
Al1 O1_4 C1_4 C3_4 79.8(16) . . . . ?
Al1 O1_4 C1_4 C2_4 -41.4(18) . . . . ?
O1_4 C1_4 C2_4 F1_4 -77.7(11) . . . . ?
C4_4 C1_4 C2_4 F1_4 42.0(11) . . . . ?
C3_4 C1_4 C2_4 F1_4 160.9(9) . . . . ?
O1_4 C1_4 C2_4 F3_4 42.9(12) . . . . ?
C4_4 C1_4 C2_4 F3_4 162.6(9) . . . . ?
C3_4 C1_4 C2_4 F3_4 -78.5(10) . . . . ?
O1_4 C1_4 C2_4 F2_4 163.6(9) . . . . ?
C4_4 C1_4 C2_4 F2_4 -76.7(11) . . . . ?
C3_4 C1_4 C2_4 F2_4 42.2(12) . . . . ?
F3_4 C2_4 F1_4 Cs4 135.8(7) . . . . ?
F2_4 C2_4 F1_4 Cs4 18.5(8) . . . . ?
C1_4 C2_4 F1_4 Cs4 -103.2(7) . . . . ?
F1_4 C2_4 F2_4 Cs4 -24.6(10) . . . . ?
F3_4 C2_4 F2_4 Cs4 -142.6(6) . . . . ?
C1_4 C2_4 F2_4 Cs4 95.6(8) . . . . ?
O1_4 C1_4 C3_4 F6_4 163.3(9) . . . . ?
C4_4 C1_4 C3_4 F6_4 46.0(11) . . . . ?
C2_4 C1_4 C3_4 F6_4 -73.9(11) . . . . ?
O1_4 C1_4 C3_4 F5_4 -76.7(11) . . . . ?
C4_4 C1_4 C3_4 F5_4 165.9(9) . . . . ?
C2_4 C1_4 C3_4 F5_4 46.1(11) . . . . ?
O1_4 C1_4 C3_4 F4_4 41.9(12) . . . . ?
C4_4 C1_4 C3_4 F4_4 -75.4(11) . . . . ?
C2_4 C1_4 C3_4 F4_4 164.7(9) . . . . ?
F6_4 C3_4 F4_4 Cs5 93.8(12) . . . . ?
F5_4 C3_4 F4_4 Cs5 -23.1(14) . . . . ?
C1_4 C3_4 F4_4 Cs5 -142.3(8) . . . . ?
O1_4 C1_4 C4_4 F9_4 47.7(11) . . . . ?
C3_4 C1_4 C4_4 F9_4 166.3(9) . . . . ?
C2_4 C1_4 C4_4 F9_4 -74.4(11) . . . . ?
O1_4 C1_4 C4_4 F8_4 165.9(9) . . . . ?
C3_4 C1_4 C4_4 F8_4 -75.6(11) . . . . ?
C2_4 C1_4 C4_4 F8_4 43.7(11) . . . . ?
O1_4 C1_4 C4_4 F7_4 -71.9(11) . . . . ?
C3_4 C1_4 C4_4 F7_4 46.6(11) . . . . ?
C2_4 C1_4 C4_4 F7_4 165.9(9) . . . . ?
F9_4 C4_4 F8_4 Cs4 66.8(16) . . . . ?
F7_4 C4_4 F8_4 Cs4 -178.5(10) . . . . ?
C1_4 C4_4 F8_4 Cs4 -54.1(18) . . . . ?
Al1 O1_3 C1_3 C4_3 -80.1(16) . . . . ?
Al1 O1_3 C1_3 C3_3 161.6(12) . . . . ?
Al1 O1_3 C1_3 C2_3 41.2(18) . . . . ?
O1_3 C1_3 C2_3 F3_3 76.2(11) . . . . ?
C4_3 C1_3 C2_3 F3_3 -160.8(9) . . . . ?
C3_3 C1_3 C2_3 F3_3 -43.1(11) . . . . ?
O1_3 C1_3 C2_3 F1_3 -43.4(12) . . . . ?
C4_3 C1_3 C2_3 F1_3 79.6(10) . . . . ?
C3_3 C1_3 C2_3 F1_3 -162.8(9) . . . . ?
O1_3 C1_3 C2_3 F2_3 -164.5(9) . . . . ?
C4_3 C1_3 C2_3 F2_3 -41.5(11) . . . . ?
C3_3 C1_3 C2_3 F2_3 76.1(11) . . . . ?
F3_3 C2_3 F1_3 Cs5 51.6(11) . . . . ?
F2_3 C2_3 F1_3 Cs5 -64.6(11) . . . . ?
C1_3 C2_3 F1_3 Cs5 171.5(6) . . . . ?
O1_3 C1_3 C3_3 F5_3 -44.4(12) . . . . ?
C4_3 C1_3 C3_3 F5_3 -164.5(9) . . . . ?
C2_3 C1_3 C3_3 F5_3 78.1(10) . . . . ?
O1_3 C1_3 C3_3 F6_3 -166.4(10) . . . . ?
C4_3 C1_3 C3_3 F6_3 73.5(11) . . . . ?
C2_3 C1_3 C3_3 F6_3 -43.9(12) . . . . ?
O1_3 C1_3 C3_3 F4_3 71.6(11) . . . . ?
C4_3 C1_3 C3_3 F4_3 -48.4(11) . . . . ?
C2_3 C1_3 C3_3 F4_3 -165.8(9) . . . . ?
F5_3 C3_3 F4_3 Cs3 127(3) . . . 1_444 ?
F6_3 C3_3 F4_3 Cs3 -118(3) . . . 1_444 ?
C1_3 C3_3 F4_3 Cs3 7(3) . . . 1_444 ?
O1_3 C1_3 C4_3 F8_3 -161.0(10) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.2(12) . . . . ?
C2_3 C1_3 C4_3 F8_3 75.0(11) . . . . ?
O1_3 C1_3 C4_3 F9_3 76.6(11) . . . . ?
C3_3 C1_3 C4_3 F9_3 -165.5(9) . . . . ?
C2_3 C1_3 C4_3 F9_3 -47.4(11) . . . . ?
O1_3 C1_3 C4_3 F7_3 -39.9(12) . . . . ?
C3_3 C1_3 C4_3 F7_3 78.0(11) . . . . ?
C2_3 C1_3 C4_3 F7_3 -163.8(9) . . . . ?
F8_3 C4_3 F7_3 Cs3 51.0(13) . . . 1_444 ?
F9_3 C4_3 F7_3 Cs3 168.2(7) . . . 1_444 ?
C1_3 C4_3 F7_3 Cs3 -72.9(12) . . . 1_444 ?
Al1 O1_2 C1_2 C3_2 -78.9(14) . . . . ?
Al1 O1_2 C1_2 C2_2 162.1(11) . . . . ?
Al1 O1_2 C1_2 C4_2 42.7(16) . . . . ?
O1_2 C1_2 C2_2 F3_2 70.4(11) . . . . ?
C3_2 C1_2 C2_2 F3_2 -50.8(11) . . . . ?
C4_2 C1_2 C2_2 F3_2 -169.4(9) . . . . ?
O1_2 C1_2 C2_2 F2_2 -164.3(9) . . . . ?
C3_2 C1_2 C2_2 F2_2 74.5(11) . . . . ?
C4_2 C1_2 C2_2 F2_2 -44.1(11) . . . . ?
O1_2 C1_2 C2_2 F1_2 -44.1(11) . . . . ?
C3_2 C1_2 C2_2 F1_2 -165.3(9) . . . . ?
C4_2 C1_2 C2_2 F1_2 76.1(11) . . . . ?
F3_2 C2_2 F1_2 Cs5 7.0(19) . . . . ?
F2_2 C2_2 F1_2 Cs5 -109.8(14) . . . . ?
C1_2 C2_2 F1_2 Cs5 126.1(12) . . . . ?
O1_2 C1_2 C3_2 F5_2 -43.3(12) . . . . ?
C2_2 C1_2 C3_2 F5_2 75.6(11) . . . . ?
C4_2 C1_2 C3_2 F5_2 -165.6(9) . . . . ?
O1_2 C1_2 C3_2 F6_2 -163.6(10) . . . . ?
C2_2 C1_2 C3_2 F6_2 -44.8(12) . . . . ?
C4_2 C1_2 C3_2 F6_2 74.0(12) . . . . ?
O1_2 C1_2 C3_2 F4_2 76.1(11) . . . . ?
C2_2 C1_2 C3_2 F4_2 -165.1(9) . . . . ?
C4_2 C1_2 C3_2 F4_2 -46.3(12) . . . . ?
F5_2 C3_2 F4_2 Cs6 -70.9(14) . . . 1_445 ?
F6_2 C3_2 F4_2 Cs6 44.0(15) . . . 1_445 ?
C1_2 C3_2 F4_2 Cs6 168.6(7) . . . 1_445 ?
O1_2 C1_2 C4_2 F7_2 -45.6(11) . . . . ?
C3_2 C1_2 C4_2 F7_2 77.5(11) . . . . ?
C2_2 C1_2 C4_2 F7_2 -164.4(9) . . . . ?
O1_2 C1_2 C4_2 F9_2 76.4(11) . . . . ?
C3_2 C1_2 C4_2 F9_2 -160.6(9) . . . . ?
C2_2 C1_2 C4_2 F9_2 -42.4(11) . . . . ?
O1_2 C1_2 C4_2 F8_2 -166.3(9) . . . . ?
C3_2 C1_2 C4_2 F8_2 -43.2(12) . . . . ?
C2_2 C1_2 C4_2 F8_2 74.9(10) . . . . ?
Al1 O1_1 C1_1 C3_1 -29(2) . . . . ?
Al1 O1_1 C1_1 C4_1 92.4(17) . . . . ?
Al1 O1_1 C1_1 C2_1 -149.7(14) . . . . ?
O1_1 C1_1 C2_1 F1_1 -39.3(14) . . . . ?
C3_1 C1_1 C2_1 F1_1 -162.2(11) . . . . ?
C4_1 C1_1 C2_1 F1_1 80.7(13) . . . . ?
O1_1 C1_1 C2_1 F2_1 -168.4(11) . . . . ?
C3_1 C1_1 C2_1 F2_1 68.7(13) . . . . ?
C4_1 C1_1 C2_1 F2_1 -48.4(14) . . . . ?
O1_1 C1_1 C2_1 F3_1 72.7(12) . . . . ?
C3_1 C1_1 C2_1 F3_1 -50.3(12) . . . . ?
C4_1 C1_1 C2_1 F3_1 -167.3(11) . . . . ?
F2_1 C2_1 F1_1 Cs6 45.3(16) . . . 1_445 ?
F3_1 C2_1 F1_1 Cs6 157.5(8) . . . 1_445 ?
C1_1 C2_1 F1_1 Cs6 -86.4(13) . . . 1_445 ?
O1_1 C1_1 C3_1 F5_1 -39.2(14) . . . . ?
C4_1 C1_1 C3_1 F5_1 -162.3(11) . . . . ?
C2_1 C1_1 C3_1 F5_1 80.8(13) . . . . ?
O1_1 C1_1 C3_1 F6_1 -164.2(10) . . . . ?
C4_1 C1_1 C3_1 F6_1 72.7(12) . . . . ?
C2_1 C1_1 C3_1 F6_1 -44.2(13) . . . . ?
O1_1 C1_1 C3_1 F4_1 77.2(12) . . . . ?
C4_1 C1_1 C3_1 F4_1 -45.9(12) . . . . ?
C2_1 C1_1 C3_1 F4_1 -162.8(10) . . . . ?
F5_1 C3_1 F4_1 Cs3 -111(2) . . . 1_444 ?
F6_1 C3_1 F4_1 Cs3 5(2) . . . 1_444 ?
C1_1 C3_1 F4_1 Cs3 128.6(17) . . . 1_444 ?
O1_1 C1_1 C4_1 F7_1 -48.8(14) . . . . ?
C3_1 C1_1 C4_1 F7_1 75.4(13) . . . . ?
C2_1 C1_1 C4_1 F7_1 -166.8(12) . . . . ?
O1_1 C1_1 C4_1 F8_1 -171.6(10) . . . . ?
C3_1 C1_1 C4_1 F8_1 -47.4(14) . . . . ?
C2_1 C1_1 C4_1 F8_1 70.5(13) . . . . ?
O1_1 C1_1 C4_1 F9_1 67.6(13) . . . . ?
C3_1 C1_1 C4_1 F9_1 -168.2(11) . . . . ?
C2_1 C1_1 C4_1 F9_1 -50.4(13) . . . . ?
F7_1 C4_1 F9_1 Cs6 146.9(17) . . . 1_445 ?
F8_1 C4_1 F9_1 Cs6 -98.5(19) . . . 1_445 ?
C1_1 C4_1 F9_1 Cs6 27(2) . . . 1_445 ?
C1_16 O1_16 Al2 O1_14 167.6(13) . . . . ?
C1_16 O1_16 Al2 O1_13 46.2(15) . . . . ?
C1_16 O1_16 Al2 O1_15 -70.8(15) . . . . ?
C1_14 O1_14 Al2 O1_16 -32.0(14) . . . . ?
C1_14 O1_14 Al2 O1_13 84.6(13) . . . . ?
C1_14 O1_14 Al2 O1_15 -157.5(12) . . . . ?
C1_13 O1_13 Al2 O1_16 -169.4(12) . . . . ?
C1_13 O1_13 Al2 O1_14 72.3(14) . . . . ?
C1_13 O1_13 Al2 O1_15 -46.8(14) . . . . ?
C1_15 O1_15 Al2 O1_16 -79.1(13) . . . . ?
C1_15 O1_15 Al2 O1_14 42.5(14) . . . . ?
C1_15 O1_15 Al2 O1_13 164.5(12) . . . . ?
C1_9 O1_9 Al3 O1_12 -83.0(15) . . . . ?
C1_9 O1_9 Al3 O1_10 37.8(15) . . . . ?
C1_9 O1_9 Al3 O1_11 160.4(13) . . . . ?
C1_12 O1_12 Al3 O1_9 -71.0(15) . . . . ?
C1_12 O1_12 Al3 O1_10 167.9(13) . . . . ?
C1_12 O1_12 Al3 O1_11 46.9(15) . . . . ?
C1_10 O1_10 Al3 O1_9 -157.6(13) . . . . ?
C1_10 O1_10 Al3 O1_12 -33.6(15) . . . . ?
C1_10 O1_10 Al3 O1_11 82.8(14) . . . . ?
C1_11 O1_11 Al3 O1_9 -45.3(14) . . . . ?
C1_11 O1_11 Al3 O1_12 -166.9(12) . . . . ?
C1_11 O1_11 Al3 O1_10 75.0(13) . . . . ?
C1_2 O1_2 Al1 O1_4 165.1(12) . . . . ?
C1_2 O1_2 Al1 O1_3 -75.9(14) . . . . ?
C1_2 O1_2 Al1 O1_1 45.1(14) . . . . ?
C1_4 O1_4 Al1 O1_2 -48.0(16) . . . . ?
C1_4 O1_4 Al1 O1_3 -168.8(14) . . . . ?
C1_4 O1_4 Al1 O1_1 70.5(16) . . . . ?
C1_3 O1_3 Al1 O1_2 -76.5(15) . . . . ?
C1_3 O1_3 Al1 O1_4 41.5(16) . . . . ?
C1_3 O1_3 Al1 O1_1 163.0(14) . . . . ?
C1_1 O1_1 Al1 O1_2 -161.5(16) . . . . ?
C1_1 O1_1 Al1 O1_4 80.9(17) . . . . ?
C1_1 O1_1 Al1 O1_3 -39.3(18) . . . . ?
C1_5 O1_5 Al4 O1_8 -78.3(15) . . . . ?
C1_5 O1_5 Al4 O1_7 164.2(14) . . . . ?
C1_5 O1_5 Al4 O1_6 41.7(15) . . . . ?
C1_8 O1_8 Al4 O1_5 -72.1(14) . . . . ?
C1_8 O1_8 Al4 O1_7 46.1(14) . . . . ?
C1_8 O1_8 Al4 O1_6 167.6(13) . . . . ?
C1_7 O1_7 Al4 O1_5 -45.1(14) . . . . ?
C1_7 O1_7 Al4 O1_8 -167.7(12) . . . . ?
C1_7 O1_7 Al4 O1_6 74.4(14) . . . . ?
C1_6 O1_6 Al4 O1_5 -158.2(14) . . . . ?
C1_6 O1_6 Al4 O1_8 -34.3(16) . . . . ?
C1_6 O1_6 Al4 O1_7 82.8(15) . . . . ?
C1_23 O1_23 Al5 O1_21 -47.8(16) . . . . ?
C1_23 O1_23 Al5 O1_22 71.2(16) . . . . ?
C1_23 O1_23 Al5 O1_24 -168.8(15) . . . . ?
C1_21 O1_21 Al5 O1_23 163.0(12) . . . . ?
C1_21 O1_21 Al5 O1_22 41.6(14) . . . . ?
C1_21 O1_21 Al5 O1_24 -78.4(13) . . . . ?
C1_22 O1_22 Al5 O1_23 75.1(15) . . . . ?
C1_22 O1_22 Al5 O1_21 -166.6(13) . . . . ?
C1_22 O1_22 Al5 O1_24 -44.6(15) . . . . ?
C1_24 O1_24 Al5 O1_23 46.3(16) . . . . ?
C1_24 O1_24 Al5 O1_21 -71.7(16) . . . . ?
C1_24 O1_24 Al5 O1_22 168.4(14) . . . . ?
C1_20 O1_20 Al6 O1_19 68.5(16) . . . . ?
C1_20 O1_20 Al6 O1_17 -52.1(17) . . . . ?
C1_20 O1_20 Al6 O1_18 -172.9(14) . . . . ?
C1_19 O1_19 Al6 O1_20 79.0(17) . . . . ?
C1_19 O1_19 Al6 O1_17 -162.0(15) . . . . ?
C1_19 O1_19 Al6 O1_18 -40.9(17) . . . . ?
C1_17 O1_17 Al6 O1_20 173.5(15) . . . . ?
C1_17 O1_17 Al6 O1_19 51.2(17) . . . . ?
C1_17 O1_17 Al6 O1_18 -67.1(17) . . . . ?
C1_18 O1_18 Al6 O1_20 29.6(15) . . . . ?
C1_18 O1_18 Al6 O1_19 151.6(13) . . . . ?
C1_18 O1_18 Al6 O1_17 -88.4(14) . . . . ?

_refine_diff_density_max         2.169
_refine_diff_density_min         -1.746
_refine_diff_density_rms         0.136

####################################################################### 
# 
# 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_P1_a
_database_code_depnum_ccdc_archive 'CCDC 1960197'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT090_P1_a                
;
PROBLEM:  Poor Data / Parameter Ratio (Zmax > 18) ........       5.79 Note   
RESPONSE: The ratio is the result of measurement resolution and disorder
in the structure. However, there have been many restraints on the geometry
 of -OC(CF3)3 groups applied.
;
# end Validation Reply Form 


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 Al F36 O4 Rb'
_chemical_formula_weight         1052.61

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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   9.6213(7)
_cell_length_b                   10.4768(7)
_cell_length_c                   16.8127(12)
_cell_angle_alpha                81.079(4)
_cell_angle_beta                 73.385(3)
_cell_angle_gamma                62.701(3)
_cell_volume                     1442.53(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9037
_cell_measurement_theta_min      2.1825
_cell_measurement_theta_max      27.5235

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_F_000             1004
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.010
_shelx_estimated_absorpt_T_min   0.780
_shelx_estimated_absorpt_T_max   0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6926
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
'TWINABS 2012/1, Sheldrick, University of Goettingen, Germany'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34467
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.264
_diffrn_reflns_theta_max         27.658
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12705
_reflns_number_gt                12538
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.988
_reflns_Friedel_fraction_max     0.983
_reflns_Friedel_fraction_full    0.997

_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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.0293P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_abs_structure_Flack   ?
_chemical_absolute_configuration unk
_refine_ls_number_reflns         12705
_refine_ls_number_parameters     1155
_refine_ls_number_restraints     12837
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0217
_refine_ls_wR_factor_ref         0.0478
_refine_ls_wR_factor_gt          0.0477
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      0.840
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
O1_9 O 0.4037(19) 0.6090(9) 0.1859(10) 0.0128(9) Uani 0.782(7) 1 d D U P A 2
C1_9 C 0.4407(8) 0.4706(8) 0.1772(4) 0.0129(8) Uani 0.782(7) 1 d D U P A 2
C2_9 C 0.4488(8) 0.3837(6) 0.2610(3) 0.0238(13) Uani 0.782(7) 1 d D U P A 2
F1_9 F 0.5854(8) 0.3493(8) 0.2806(3) 0.0321(14) Uani 0.782(7) 1 d D U P A 2
F2_9 F 0.4328(7) 0.2631(5) 0.2603(3) 0.0310(13) Uani 0.782(7) 1 d D U P A 2
F3_9 F 0.3330(13) 0.4636(12) 0.3213(5) 0.033(2) Uani 0.782(7) 1 d D U P A 2
C3_9 C 0.3066(7) 0.4700(6) 0.1435(4) 0.0187(13) Uani 0.782(7) 1 d D U P A 2
F4_9 F 0.2669(11) 0.5679(9) 0.0852(7) 0.027(2) Uani 0.782(7) 1 d D U P A 2
F5_9 F 0.1740(7) 0.4944(9) 0.2028(5) 0.0307(16) Uani 0.782(7) 1 d D U P A 2
F6_9 F 0.3488(6) 0.3420(5) 0.1115(4) 0.0289(13) Uani 0.782(7) 1 d D U P A 2
C4_9 C 0.6056(6) 0.3961(5) 0.1129(3) 0.0133(12) Uani 0.782(7) 1 d D U P A 2
F7_9 F 0.5911(7) 0.4395(7) 0.0374(4) 0.0247(13) Uani 0.782(7) 1 d D U P A 2
F8_9 F 0.6640(12) 0.2536(7) 0.1177(5) 0.0178(15) Uani 0.782(7) 1 d D U P A 2
F9_9 F 0.7133(13) 0.4308(15) 0.1271(7) 0.023(2) Uani 0.782(7) 1 d D U P A 2
O1_8 O 0.397(7) 0.608(3) 0.189(3) 0.0128(9) Uani 0.218(7) 1 d D U P A 1
C1_8 C 0.436(2) 0.471(2) 0.1745(11) 0.0129(8) Uani 0.218(7) 1 d D U P A 1
C2_8 C 0.325(2) 0.4158(17) 0.2413(11) 0.022(4) Uani 0.218(7) 1 d D U P A 1
F1_8 F 0.302(5) 0.460(5) 0.3161(16) 0.028(6) Uani 0.218(7) 1 d D U P A 1
F2_8 F 0.381(3) 0.2758(17) 0.2433(14) 0.0310(13) Uani 0.218(7) 1 d D U P A 1
F3_8 F 0.179(2) 0.471(3) 0.2283(15) 0.026(5) Uani 0.218(7) 1 d D U P A 1
C3_8 C 0.414(2) 0.4655(17) 0.0867(10) 0.017(3) Uani 0.218(7) 1 d D U P A 1
F4_8 F 0.537(2) 0.470(3) 0.0280(11) 0.020(4) Uani 0.218(7) 1 d D U P A 1
F5_8 F 0.286(4) 0.583(3) 0.074(2) 0.023(6) Uani 0.218(7) 1 d D U P A 1
F6_8 F 0.401(2) 0.3457(18) 0.0806(12) 0.021(4) Uani 0.218(7) 1 d D U P A 1
C4_8 C 0.615(2) 0.3713(18) 0.1762(11) 0.024(4) Uani 0.218(7) 1 d D U P A 1
F7_8 F 0.709(5) 0.435(5) 0.137(3) 0.031(8) Uani 0.218(7) 1 d D U P A 1
F8_8 F 0.672(5) 0.246(2) 0.1400(17) 0.020(5) Uani 0.218(7) 1 d D U P A 1
F9_8 F 0.632(3) 0.343(3) 0.2526(11) 0.029(5) Uani 0.218(7) 1 d D U P A 1
O1_7 O 0.1489(4) 0.2203(3) 0.80311(19) 0.0154(6) Uani 1 1 d D U . . .
C1_7 C 0.0800(5) 0.1344(4) 0.8452(3) 0.0142(8) Uani 1 1 d D U . . .
C2_7 C 0.1872(6) 0.0243(5) 0.9011(3) 0.0244(10) Uani 1 1 d D U . . .
F1_7 F 0.3126(4) -0.0784(3) 0.8563(2) 0.0354(7) Uani 1 1 d D U . . .
F2_7 F 0.1080(5) -0.0375(4) 0.95993(19) 0.0380(8) Uani 1 1 d D U . . .
F3_7 F 0.2388(4) 0.0893(4) 0.94035(19) 0.0355(8) Uani 1 1 d D U . . .
C3_7 C -0.0865(6) 0.2324(5) 0.9002(3) 0.0235(10) Uani 1 1 d D U . . .
F4_7 F -0.1648(4) 0.3486(3) 0.8593(2) 0.0295(7) Uani 1 1 d D U . . .
F5_7 F -0.0663(4) 0.2762(4) 0.96553(18) 0.0329(7) Uani 1 1 d D U . . .
F6_7 F -0.1794(4) 0.1639(3) 0.93056(19) 0.0344(7) Uani 1 1 d D U . . .
C4_7 C 0.0533(6) 0.0508(5) 0.7867(3) 0.0183(9) Uani 1 1 d D U . . .
F7_7 F -0.0706(4) 0.1360(3) 0.75448(19) 0.0281(6) Uani 1 1 d D U . . .
F8_7 F 0.0266(4) -0.0605(3) 0.82388(17) 0.0272(7) Uani 1 1 d D U . . .
F9_7 F 0.1821(4) 0.0005(3) 0.72259(17) 0.0244(6) Uani 1 1 d D U . . .
O1_6 O 0.2995(4) 0.4004(3) 0.73415(18) 0.0132(6) Uani 1 1 d D U . . .
C1_6 C 0.3235(5) 0.4689(4) 0.7870(3) 0.0147(8) Uani 1 1 d D U . . .
C2_6 C 0.1625(6) 0.5595(5) 0.8476(3) 0.0240(11) Uani 1 1 d D U . . .
F1_6 F 0.0475(4) 0.6291(4) 0.8096(2) 0.0402(9) Uani 1 1 d D U . . .
F2_6 F 0.1733(4) 0.6520(3) 0.88839(19) 0.0307(7) Uani 1 1 d D U . . .
F3_6 F 0.1182(4) 0.4722(4) 0.90586(19) 0.0375(8) Uani 1 1 d D U . . .
C3_6 C 0.4414(6) 0.3621(5) 0.8394(3) 0.0260(11) Uani 1 1 d D U . . .
F4_6 F 0.5935(4) 0.3100(4) 0.7937(2) 0.0445(9) Uani 1 1 d D U . . .
F5_6 F 0.4104(5) 0.2496(3) 0.8641(2) 0.0395(8) Uani 1 1 d D U . . .
F6_6 F 0.4386(4) 0.4200(3) 0.9046(2) 0.0357(8) Uani 1 1 d D U . . .
C4_6 C 0.3974(6) 0.5690(5) 0.7351(3) 0.0236(10) Uani 1 1 d D U . . .
F7_6 F 0.5091(4) 0.5052(4) 0.6695(2) 0.0416(9) Uani 1 1 d D U . . .
F8_6 F 0.4553(5) 0.6209(4) 0.7779(2) 0.0434(9) Uani 1 1 d D U . . .
F9_6 F 0.2827(5) 0.6848(3) 0.7062(2) 0.0403(8) Uani 1 1 d D U . . .
O1_5 O 0.4625(4) 0.1009(3) 0.70175(18) 0.0143(6) Uani 1 1 d D U . . .
C1_5 C 0.6062(5) 0.0265(4) 0.6498(3) 0.0158(8) Uani 1 1 d D U . . .
C2_5 C 0.5854(6) -0.0477(5) 0.5833(3) 0.0219(10) Uani 1 1 d D U . . .
F1_5 F 0.4852(4) -0.1086(4) 0.6180(2) 0.0387(9) Uani 1 1 d D U . . .
F2_5 F 0.7231(4) -0.1512(3) 0.54463(16) 0.0250(7) Uani 1 1 d D U . . .
F3_5 F 0.5220(4) 0.0467(3) 0.52658(19) 0.0305(7) Uani 1 1 d D U . . .
C3_5 C 0.6863(6) 0.1266(5) 0.6037(3) 0.0181(9) Uani 1 1 d D U . . .
F4_5 F 0.7464(4) 0.1624(4) 0.65401(18) 0.0311(7) Uani 1 1 d D U . . .
F5_5 F 0.5824(4) 0.2452(3) 0.57607(18) 0.0268(6) Uani 1 1 d D U . . .
F6_5 F 0.8102(4) 0.0620(3) 0.53887(18) 0.0270(7) Uani 1 1 d D U . . .
C4_5 C 0.7156(5) -0.0882(5) 0.7025(3) 0.0208(10) Uani 1 1 d D U . . .
F7_5 F 0.7091(4) -0.0311(3) 0.76962(17) 0.0267(7) Uani 1 1 d D U . . .
F8_5 F 0.8708(3) -0.1493(3) 0.66050(18) 0.0292(7) Uani 1 1 d D U . . .
F9_5 F 0.6703(4) -0.1940(3) 0.72772(19) 0.0308(7) Uani 1 1 d D U . . .
O1_4 O 0.2120(4) 0.2799(3) 0.62785(18) 0.0135(6) Uani 1 1 d D U . . .
C1_4 C 0.1095(5) 0.3737(4) 0.5828(3) 0.0118(8) Uani 1 1 d D U . . .
C2_4 C -0.0607(6) 0.4589(5) 0.6390(3) 0.0184(9) Uani 1 1 d D U . . .
F1_4 F -0.1383(4) 0.3778(3) 0.66317(19) 0.0303(6) Uani 1 1 d D U . . .
F2_4 F -0.1500(3) 0.5753(3) 0.59967(18) 0.0258(6) Uani 1 1 d D U . . .
F3_4 F -0.0488(3) 0.5012(3) 0.70610(16) 0.0237(6) Uani 1 1 d D U . . .
C3_4 C 0.1768(6) 0.4816(5) 0.5336(3) 0.0195(9) Uani 1 1 d D U . . .
F4_4 F 0.3321(4) 0.4146(3) 0.50120(17) 0.0287(6) Uani 1 1 d D U . . .
F5_4 F 0.1560(4) 0.5799(3) 0.58516(18) 0.0264(7) Uani 1 1 d D U . . .
F6_4 F 0.1056(4) 0.5528(3) 0.47345(18) 0.0282(7) Uani 1 1 d D U . . .
C4_4 C 0.0987(6) 0.2883(4) 0.5191(3) 0.0185(9) Uani 1 1 d D U . . .
F7_4 F 0.2326(4) 0.2402(3) 0.45864(18) 0.0276(7) Uani 1 1 d D U . . .
F8_4 F -0.0244(4) 0.3622(3) 0.48482(18) 0.0311(7) Uani 1 1 d D U . . .
F9_4 F 0.0812(4) 0.1703(3) 0.5564(2) 0.0269(7) Uani 1 1 d D U . . .
O1_3 O 0.2782(3) 0.8944(3) 0.23397(18) 0.0114(6) Uani 1 1 d D U . . .
C1_3 C 0.1169(5) 0.9566(4) 0.2668(3) 0.0130(8) Uani 1 1 d D U . . .
C2_3 C 0.0274(5) 0.9752(5) 0.1992(3) 0.0173(9) Uani 1 1 d D U . . .
F1_3 F 0.0308(4) 1.0857(3) 0.14615(18) 0.0258(6) Uani 1 1 d D U . . .
F2_3 F -0.1278(3) 1.0043(3) 0.23044(18) 0.0245(6) Uani 1 1 d D U . . .
F3_3 F 0.0949(3) 0.8593(3) 0.15429(17) 0.0233(6) Uani 1 1 d D U . . .
C3_3 C 0.0637(5) 0.8659(5) 0.3404(3) 0.0163(9) Uani 1 1 d D U . . .
F4_3 F 0.1657(4) 0.8165(3) 0.39001(17) 0.0279(6) Uani 1 1 d D U . . .
F5_3 F 0.0670(3) 0.7515(3) 0.31394(17) 0.0211(6) Uani 1 1 d D U . . .
F6_3 F -0.0822(3) 0.9399(3) 0.38708(17) 0.0257(7) Uani 1 1 d D U . . .
C4_3 C 0.0700(6) 1.1068(4) 0.2982(3) 0.0193(9) Uani 1 1 d D U . . .
F7_3 F 0.1161(4) 1.0929(4) 0.3679(2) 0.0323(7) Uani 1 1 d D U . . .
F8_3 F -0.0871(3) 1.1902(3) 0.3134(2) 0.0306(7) Uani 1 1 d D U . . .
F9_3 F 0.1438(3) 1.1760(3) 0.2424(2) 0.0275(7) Uani 1 1 d D U . . .
O1_2 O 0.5277(3) 0.6665(3) 0.29977(17) 0.0118(6) Uani 1 1 d D U . . .
C1_2 C 0.6187(5) 0.6767(4) 0.3445(2) 0.0112(8) Uani 1 1 d D U . . .
C2_2 C 0.5986(5) 0.5922(4) 0.4281(2) 0.0154(8) Uani 1 1 d D U . . .
F1_2 F 0.4418(3) 0.6266(3) 0.46114(16) 0.0195(6) Uani 1 1 d D U . . .
F2_2 F 0.6536(4) 0.6209(3) 0.48359(17) 0.0244(6) Uani 1 1 d D U . . .
F3_2 F 0.6718(3) 0.4516(3) 0.41641(17) 0.0224(6) Uani 1 1 d D U . . .
C3_2 C 0.8008(5) 0.6091(4) 0.2966(3) 0.0154(9) Uani 1 1 d D U . . .
F4_2 F 0.8348(3) 0.7024(3) 0.24056(16) 0.0202(6) Uani 1 1 d D U . . .
F5_2 F 0.8366(3) 0.4941(3) 0.25606(18) 0.0229(6) Uani 1 1 d D U . . .
F6_2 F 0.8981(3) 0.5698(3) 0.34748(17) 0.0232(6) Uani 1 1 d D U . . .
C4_2 C 0.5687(5) 0.8367(4) 0.3621(3) 0.0129(8) Uani 1 1 d D U . . .
F7_2 F 0.5386(3) 0.9194(3) 0.29572(15) 0.0195(6) Uani 1 1 d D U . . .
F8_2 F 0.6792(4) 0.8527(3) 0.38615(17) 0.0208(6) Uani 1 1 d D U . . .
F9_2 F 0.4328(3) 0.8856(3) 0.42310(17) 0.0197(6) Uani 1 1 d D U . . .
O1_1 O 0.5942(4) 0.7671(3) 0.13580(18) 0.0124(6) Uani 1 1 d D U . . .
C1_1 C 0.6242(5) 0.8378(4) 0.0638(3) 0.0140(8) Uani 1 1 d D U . . .
C2_1 C 0.8050(5) 0.8063(5) 0.0417(3) 0.0183(9) Uani 1 1 d D U . . .
F1_1 F 0.8343(3) 0.8764(3) 0.08852(19) 0.0263(6) Uani 1 1 d D U . . .
F2_1 F 0.8561(3) 0.8379(3) -0.03803(17) 0.0263(7) Uani 1 1 d D U . . .
F3_1 F 0.8952(3) 0.6650(3) 0.05339(17) 0.0267(7) Uani 1 1 d D U . . .
C3_1 C 0.5876(6) 0.7874(5) -0.0061(3) 0.0210(10) Uani 1 1 d D U . . .
F4_1 F 0.4472(4) 0.7810(3) 0.01978(18) 0.0288(7) Uani 1 1 d D U . . .
F5_1 F 0.6993(4) 0.6555(3) -0.02945(18) 0.0336(7) Uani 1 1 d D U . . .
F6_1 F 0.5824(4) 0.8742(3) -0.07348(17) 0.0292(7) Uani 1 1 d D U . . .
C4_1 C 0.5240(5) 1.0035(4) 0.0732(3) 0.0169(9) Uani 1 1 d D U . . .
F7_1 F 0.3714(3) 1.0428(3) 0.07212(17) 0.0240(6) Uani 1 1 d D U . . .
F8_1 F 0.5806(4) 1.0775(3) 0.01202(17) 0.0255(7) Uani 1 1 d D U . . .
F9_1 F 0.5218(4) 1.0431(3) 0.14428(17) 0.0223(6) Uani 1 1 d D U . . .
Rb1 Rb 1.17496(5) -0.13278(4) 0.56529(3) 0.02212(11) Uani 1 1 d . . . . .
Al1 Al 0.45024(14) 0.73505(12) 0.21327(8) 0.0086(2) Uani 1 1 d . . . . .
Rb2 Rb 0.06540(6) 0.34762(5) 1.07781(3) 0.02762(12) Uani 1 1 d . . . . .
Al2 Al 0.27999(15) 0.25082(13) 0.71677(8) 0.0093(2) Uani 1 1 d . . . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_9 C1_9 1.347(7) . ?
O1_9 Al1 1.733(10) . ?
C1_9 C3_9 1.553(9) . ?
C1_9 C2_9 1.556(8) . ?
C1_9 C4_9 1.562(8) . ?
C2_9 F3_9 1.315(9) . ?
C2_9 F1_9 1.320(9) . ?
C2_9 F2_9 1.344(7) . ?
C3_9 F4_9 1.304(10) . ?
C3_9 F5_9 1.319(8) . ?
C3_9 F6_9 1.361(7) . ?
C3_9 Rb2 3.589(5) 1_554 ?
F5_9 Rb2 3.406(8) 1_554 ?
F6_9 Rb2 2.912(5) 1_554 ?
C4_9 F7_9 1.305(8) . ?
C4_9 F8_9 1.330(8) . ?
C4_9 F9_9 1.333(10) . ?
F9_9 Rb2 2.972(10) 1_654 ?
O1_8 C1_8 1.348(19) . ?
O1_8 Al1 1.76(4) . ?
C1_8 C2_8 1.557(17) . ?
C1_8 C4_8 1.559(17) . ?
C1_8 C3_8 1.565(17) . ?
C2_8 F2_8 1.309(16) . ?
C2_8 F3_8 1.324(18) . ?
C2_8 F1_8 1.330(18) . ?
C3_8 F4_8 1.324(16) . ?
C3_8 F5_8 1.325(18) . ?
C3_8 F6_8 1.338(16) . ?
F6_8 Rb2 3.235(17) 1_554 ?
C4_8 F9_8 1.310(17) . ?
C4_8 F7_8 1.328(18) . ?
C4_8 F8_8 1.336(17) . ?
F7_8 Rb2 3.01(4) 1_654 ?
O1_7 C1_7 1.353(5) . ?
O1_7 Al2 1.726(3) . ?
C1_7 C2_7 1.550(6) . ?
C1_7 C3_7 1.553(6) . ?
C1_7 C4_7 1.555(6) . ?
C2_7 F1_7 1.312(6) . ?
C2_7 F3_7 1.336(6) . ?
C2_7 F2_7 1.342(6) . ?
F3_7 Rb2 3.323(3) . ?
C3_7 F4_7 1.310(6) . ?
C3_7 F6_7 1.338(6) . ?
C3_7 F5_7 1.347(6) . ?
F5_7 Rb2 2.899(3) . ?
C4_7 F7_7 1.324(5) . ?
C4_7 F8_7 1.332(5) . ?
C4_7 F9_7 1.337(5) . ?
F9_7 Rb1 3.207(3) 1_455 ?
O1_6 C1_6 1.350(5) . ?
O1_6 Al2 1.738(3) . ?
C1_6 C2_6 1.545(6) . ?
C1_6 C4_6 1.554(6) . ?
C1_6 C3_6 1.554(6) . ?
C2_6 F1_6 1.298(6) . ?
C2_6 F2_6 1.326(6) . ?
C2_6 F3_6 1.348(6) . ?
F3_6 Rb2 2.986(3) . ?
C3_6 F6_6 1.322(6) . ?
C3_6 F5_6 1.323(6) . ?
C3_6 F4_6 1.336(6) . ?
C4_6 F7_6 1.308(6) . ?
C4_6 F8_6 1.324(6) . ?
C4_6 F9_6 1.349(6) . ?
F9_6 Rb1 2.920(3) 1_465 ?
O1_5 C1_5 1.347(5) . ?
O1_5 Al2 1.719(3) . ?
C1_5 C4_5 1.543(6) . ?
C1_5 C2_5 1.561(6) . ?
C1_5 C3_5 1.563(6) . ?
C2_5 F3_5 1.321(6) . ?
C2_5 F2_5 1.328(5) . ?
C2_5 F1_5 1.343(6) . ?
F1_5 Rb1 3.468(4) 1_455 ?
C3_5 F5_5 1.306(5) . ?
C3_5 F4_5 1.330(6) . ?
C3_5 F6_5 1.346(5) . ?
F6_5 Rb1 3.274(3) . ?
C4_5 F7_5 1.331(6) . ?
C4_5 F9_5 1.338(6) . ?
C4_5 F8_5 1.341(5) . ?
F8_5 Rb1 2.976(3) . ?
O1_4 C1_4 1.349(5) . ?
O1_4 Al2 1.729(3) . ?
C1_4 C2_4 1.551(6) . ?
C1_4 C4_4 1.551(6) . ?
C1_4 C3_4 1.568(6) . ?
C2_4 F1_4 1.321(5) . ?
C2_4 F3_4 1.326(6) . ?
C2_4 F2_4 1.333(5) . ?
C3_4 F4_4 1.309(5) . ?
C3_4 F6_4 1.319(5) . ?
C3_4 F5_4 1.357(5) . ?
F5_4 Rb1 3.060(3) 1_465 ?
C4_4 F8_4 1.320(5) . ?
C4_4 F7_4 1.327(5) . ?
C4_4 F9_4 1.357(5) . ?
F9_4 Rb1 2.867(3) 1_455 ?
O1_3 C1_3 1.354(5) . ?
O1_3 Al1 1.722(3) . ?
C1_3 C2_3 1.552(6) . ?
C1_3 C3_3 1.555(6) . ?
C1_3 C4_3 1.558(5) . ?
C2_3 F3_3 1.322(5) . ?
C2_3 F2_3 1.335(5) . ?
C2_3 F1_3 1.354(5) . ?
F1_3 Rb2 2.933(3) 1_564 ?
C3_3 F6_3 1.322(5) . ?
C3_3 F5_3 1.326(5) . ?
C3_3 F4_3 1.339(5) . ?
F4_3 Rb1 3.107(3) 1_465 ?
C4_3 F8_3 1.323(5) . ?
C4_3 F7_3 1.332(6) . ?
C4_3 F9_3 1.338(6) . ?
F9_3 Rb2 3.141(3) 1_564 ?
O1_2 C1_2 1.353(5) . ?
O1_2 Al1 1.729(3) . ?
C1_2 C2_2 1.554(5) . ?
C1_2 C3_2 1.566(5) . ?
C1_2 C4_2 1.569(5) . ?
C2_2 F2_2 1.325(5) . ?
C2_2 F3_2 1.328(5) . ?
C2_2 F1_2 1.341(5) . ?
F1_2 Rb1 2.979(3) 1_465 ?
C3_2 F6_2 1.331(5) . ?
C3_2 F5_2 1.332(5) . ?
C3_2 F4_2 1.334(5) . ?
F5_2 Rb2 3.277(3) 1_654 ?
C4_2 F7_2 1.317(5) . ?
C4_2 F8_2 1.324(5) . ?
C4_2 F9_2 1.344(5) . ?
F9_2 Rb1 2.968(3) 1_465 ?
O1_1 C1_1 1.347(5) . ?
O1_1 Al1 1.728(3) . ?
C1_1 C3_1 1.544(6) . ?
C1_1 C2_1 1.554(6) . ?
C1_1 C4_1 1.559(6) . ?
C2_1 F1_1 1.316(5) . ?
C2_1 F2_1 1.335(5) . ?
C2_1 F3_1 1.346(5) . ?
F3_1 Rb2 2.979(3) 1_654 ?
C3_1 F4_1 1.325(6) . ?
C3_1 F6_1 1.335(5) . ?
C3_1 F5_1 1.336(6) . ?
C4_1 F9_1 1.316(5) . ?
C4_1 F8_1 1.333(5) . ?
C4_1 F7_1 1.335(6) . ?
F7_1 Rb2 3.191(3) 1_564 ?
Rb1 F9_4 2.867(3) 1_655 ?
Rb1 F9_6 2.920(3) 1_645 ?
Rb1 F9_2 2.968(3) 1_645 ?
Rb1 F1_2 2.979(3) 1_645 ?
Rb1 F5_4 3.060(3) 1_645 ?
Rb1 F4_3 3.107(3) 1_645 ?
Rb1 F9_7 3.207(3) 1_655 ?
Rb1 F1_5 3.468(4) 1_655 ?
Rb2 F6_9 2.912(5) 1_556 ?
Rb2 F1_3 2.933(3) 1_546 ?
Rb2 F9_9 2.972(10) 1_456 ?
Rb2 F3_1 2.979(3) 1_456 ?
Rb2 F7_8 3.01(4) 1_456 ?
Rb2 F9_3 3.141(3) 1_546 ?
Rb2 F7_1 3.191(3) 1_546 ?
Rb2 F6_8 3.235(17) 1_556 ?
Rb2 F5_2 3.277(3) 1_456 ?

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_9 O1_9 Al1 149.5(12) . . ?
O1_9 C1_9 C3_9 107.1(8) . . ?
O1_9 C1_9 C2_9 112.0(8) . . ?
C3_9 C1_9 C2_9 109.6(6) . . ?
O1_9 C1_9 C4_9 111.1(8) . . ?
C3_9 C1_9 C4_9 108.3(5) . . ?
C2_9 C1_9 C4_9 108.8(5) . . ?
F3_9 C2_9 F1_9 106.1(7) . . ?
F3_9 C2_9 F2_9 108.2(7) . . ?
F1_9 C2_9 F2_9 108.7(6) . . ?
F3_9 C2_9 C1_9 109.7(7) . . ?
F1_9 C2_9 C1_9 111.2(6) . . ?
F2_9 C2_9 C1_9 112.6(5) . . ?
F4_9 C3_9 F5_9 107.0(7) . . ?
F4_9 C3_9 F6_9 106.8(7) . . ?
F5_9 C3_9 F6_9 105.5(6) . . ?
F4_9 C3_9 C1_9 112.4(7) . . ?
F5_9 C3_9 C1_9 111.4(5) . . ?
F6_9 C3_9 C1_9 113.2(5) . . ?
F4_9 C3_9 Rb2 82.9(6) . 1_554 ?
F5_9 C3_9 Rb2 71.4(4) . 1_554 ?
F6_9 C3_9 Rb2 50.2(3) . 1_554 ?
C1_9 C3_9 Rb2 161.6(4) . 1_554 ?
C3_9 F5_9 Rb2 87.1(4) . 1_554 ?
C3_9 F6_9 Rb2 108.8(4) . 1_554 ?
F7_9 C4_9 F8_9 108.6(6) . . ?
F7_9 C4_9 F9_9 107.7(7) . . ?
F8_9 C4_9 F9_9 107.9(7) . . ?
F7_9 C4_9 C1_9 110.7(5) . . ?
F8_9 C4_9 C1_9 112.3(6) . . ?
F9_9 C4_9 C1_9 109.5(7) . . ?
C4_9 F9_9 Rb2 140.4(8) . 1_654 ?
C1_8 O1_8 Al1 150(4) . . ?
O1_8 C1_8 C2_8 110(3) . . ?
O1_8 C1_8 C4_8 111(3) . . ?
C2_8 C1_8 C4_8 109.0(14) . . ?
O1_8 C1_8 C3_8 109(3) . . ?
C2_8 C1_8 C3_8 109.1(14) . . ?
C4_8 C1_8 C3_8 108.8(14) . . ?
F2_8 C2_8 F3_8 107.4(19) . . ?
F2_8 C2_8 F1_8 110(2) . . ?
F3_8 C2_8 F1_8 105(2) . . ?
F2_8 C2_8 C1_8 113.1(16) . . ?
F3_8 C2_8 C1_8 111.3(15) . . ?
F1_8 C2_8 C1_8 111(2) . . ?
F4_8 C3_8 F5_8 105.3(19) . . ?
F4_8 C3_8 F6_8 109.7(16) . . ?
F5_8 C3_8 F6_8 112(2) . . ?
F4_8 C3_8 C1_8 110.3(14) . . ?
F5_8 C3_8 C1_8 109(2) . . ?
F6_8 C3_8 C1_8 110.4(15) . . ?
C3_8 F6_8 Rb2 122.7(12) . 1_554 ?
F9_8 C4_8 F7_8 107(2) . . ?
F9_8 C4_8 F8_8 107.7(18) . . ?
F7_8 C4_8 F8_8 108(2) . . ?
F9_8 C4_8 C1_8 111.0(15) . . ?
F7_8 C4_8 C1_8 110(2) . . ?
F8_8 C4_8 C1_8 112.5(19) . . ?
C4_8 F7_8 Rb2 136(3) . 1_654 ?
C1_7 O1_7 Al2 149.0(3) . . ?
O1_7 C1_7 C2_7 110.0(4) . . ?
O1_7 C1_7 C3_7 107.3(3) . . ?
C2_7 C1_7 C3_7 109.6(4) . . ?
O1_7 C1_7 C4_7 112.6(3) . . ?
C2_7 C1_7 C4_7 108.5(3) . . ?
C3_7 C1_7 C4_7 108.7(4) . . ?
F1_7 C2_7 F3_7 108.9(4) . . ?
F1_7 C2_7 F2_7 107.7(4) . . ?
F3_7 C2_7 F2_7 106.7(4) . . ?
F1_7 C2_7 C1_7 110.5(4) . . ?
F3_7 C2_7 C1_7 110.2(4) . . ?
F2_7 C2_7 C1_7 112.7(4) . . ?
C2_7 F3_7 Rb2 135.6(3) . . ?
F4_7 C3_7 F6_7 108.7(4) . . ?
F4_7 C3_7 F5_7 106.8(4) . . ?
F6_7 C3_7 F5_7 107.2(4) . . ?
F4_7 C3_7 C1_7 111.7(4) . . ?
F6_7 C3_7 C1_7 112.1(4) . . ?
F5_7 C3_7 C1_7 110.1(4) . . ?
C3_7 F5_7 Rb2 164.4(3) . . ?
F7_7 C4_7 F8_7 107.5(4) . . ?
F7_7 C4_7 F9_7 106.3(4) . . ?
F8_7 C4_7 F9_7 107.4(4) . . ?
F7_7 C4_7 C1_7 111.2(4) . . ?
F8_7 C4_7 C1_7 113.7(3) . . ?
F9_7 C4_7 C1_7 110.4(4) . . ?
C4_7 F9_7 Rb1 121.8(3) . 1_455 ?
C1_6 O1_6 Al2 147.1(3) . . ?
O1_6 C1_6 C2_6 110.7(4) . . ?
O1_6 C1_6 C4_6 108.2(3) . . ?
C2_6 C1_6 C4_6 109.4(4) . . ?
O1_6 C1_6 C3_6 112.0(3) . . ?
C2_6 C1_6 C3_6 107.9(4) . . ?
C4_6 C1_6 C3_6 108.4(4) . . ?
F1_6 C2_6 F2_6 108.9(4) . . ?
F1_6 C2_6 F3_6 107.6(5) . . ?
F2_6 C2_6 F3_6 106.2(4) . . ?
F1_6 C2_6 C1_6 111.5(4) . . ?
F2_6 C2_6 C1_6 112.9(4) . . ?
F3_6 C2_6 C1_6 109.5(4) . . ?
C2_6 F3_6 Rb2 153.6(3) . . ?
F6_6 C3_6 F5_6 109.3(4) . . ?
F6_6 C3_6 F4_6 106.4(4) . . ?
F5_6 C3_6 F4_6 105.9(4) . . ?
F6_6 C3_6 C1_6 113.8(4) . . ?
F5_6 C3_6 C1_6 110.3(4) . . ?
F4_6 C3_6 C1_6 110.8(4) . . ?
F7_6 C4_6 F8_6 109.7(4) . . ?
F7_6 C4_6 F9_6 105.9(4) . . ?
F8_6 C4_6 F9_6 105.6(4) . . ?
F7_6 C4_6 C1_6 111.4(4) . . ?
F8_6 C4_6 C1_6 114.0(4) . . ?
F9_6 C4_6 C1_6 109.8(4) . . ?
C4_6 F9_6 Rb1 148.8(3) . 1_465 ?
C1_5 O1_5 Al2 147.6(3) . . ?
O1_5 C1_5 C4_5 107.4(3) . . ?
O1_5 C1_5 C2_5 110.4(4) . . ?
C4_5 C1_5 C2_5 109.9(4) . . ?
O1_5 C1_5 C3_5 111.4(3) . . ?
C4_5 C1_5 C3_5 109.5(4) . . ?
C2_5 C1_5 C3_5 108.3(3) . . ?
F3_5 C2_5 F2_5 108.1(4) . . ?
F3_5 C2_5 F1_5 106.8(4) . . ?
F2_5 C2_5 F1_5 106.5(4) . . ?
F3_5 C2_5 C1_5 111.0(4) . . ?
F2_5 C2_5 C1_5 113.0(4) . . ?
F1_5 C2_5 C1_5 111.1(4) . . ?
C2_5 F1_5 Rb1 135.4(3) . 1_455 ?
F5_5 C3_5 F4_5 107.7(4) . . ?
F5_5 C3_5 F6_5 108.1(4) . . ?
F4_5 C3_5 F6_5 106.4(4) . . ?
F5_5 C3_5 C1_5 111.4(4) . . ?
F4_5 C3_5 C1_5 111.0(4) . . ?
F6_5 C3_5 C1_5 112.0(4) . . ?
C3_5 F6_5 Rb1 120.4(3) . . ?
F7_5 C4_5 F9_5 107.9(4) . . ?
F7_5 C4_5 F8_5 107.2(4) . . ?
F9_5 C4_5 F8_5 107.0(4) . . ?
F7_5 C4_5 C1_5 110.9(4) . . ?
F9_5 C4_5 C1_5 111.0(4) . . ?
F8_5 C4_5 C1_5 112.5(4) . . ?
C4_5 F8_5 Rb1 151.7(3) . . ?
C1_4 O1_4 Al2 146.4(3) . . ?
O1_4 C1_4 C2_4 111.4(3) . . ?
O1_4 C1_4 C4_4 108.3(3) . . ?
C2_4 C1_4 C4_4 109.8(4) . . ?
O1_4 C1_4 C3_4 109.8(4) . . ?
C2_4 C1_4 C3_4 109.3(3) . . ?
C4_4 C1_4 C3_4 108.1(3) . . ?
F1_4 C2_4 F3_4 108.3(4) . . ?
F1_4 C2_4 F2_4 107.9(4) . . ?
F3_4 C2_4 F2_4 108.0(4) . . ?
F1_4 C2_4 C1_4 110.6(4) . . ?
F3_4 C2_4 C1_4 110.2(4) . . ?
F2_4 C2_4 C1_4 111.8(4) . . ?
F4_4 C3_4 F6_4 108.4(4) . . ?
F4_4 C3_4 F5_4 106.5(4) . . ?
F6_4 C3_4 F5_4 107.4(3) . . ?
F4_4 C3_4 C1_4 110.9(3) . . ?
F6_4 C3_4 C1_4 112.9(4) . . ?
F5_4 C3_4 C1_4 110.5(3) . . ?
C3_4 F5_4 Rb1 136.2(2) . 1_465 ?
F8_4 C4_4 F7_4 108.1(4) . . ?
F8_4 C4_4 F9_4 106.4(4) . . ?
F7_4 C4_4 F9_4 106.0(3) . . ?
F8_4 C4_4 C1_4 113.8(3) . . ?
F7_4 C4_4 C1_4 111.7(4) . . ?
F9_4 C4_4 C1_4 110.3(3) . . ?
C4_4 F9_4 Rb1 151.5(3) . 1_455 ?
C1_3 O1_3 Al1 145.8(3) . . ?
O1_3 C1_3 C2_3 109.7(3) . . ?
O1_3 C1_3 C3_3 112.2(3) . . ?
C2_3 C1_3 C3_3 108.2(3) . . ?
O1_3 C1_3 C4_3 107.8(3) . . ?
C2_3 C1_3 C4_3 109.6(3) . . ?
C3_3 C1_3 C4_3 109.2(3) . . ?
F3_3 C2_3 F2_3 107.4(4) . . ?
F3_3 C2_3 F1_3 107.0(4) . . ?
F2_3 C2_3 F1_3 106.5(4) . . ?
F3_3 C2_3 C1_3 112.0(4) . . ?
F2_3 C2_3 C1_3 113.1(4) . . ?
F1_3 C2_3 C1_3 110.5(4) . . ?
C2_3 F1_3 Rb2 160.7(3) . 1_564 ?
F6_3 C3_3 F5_3 108.4(4) . . ?
F6_3 C3_3 F4_3 107.1(3) . . ?
F5_3 C3_3 F4_3 106.5(4) . . ?
F6_3 C3_3 C1_3 113.0(4) . . ?
F5_3 C3_3 C1_3 111.4(3) . . ?
F4_3 C3_3 C1_3 110.2(4) . . ?
C3_3 F4_3 Rb1 139.6(3) . 1_465 ?
F8_3 C4_3 F7_3 107.9(4) . . ?
F8_3 C4_3 F9_3 107.7(4) . . ?
F7_3 C4_3 F9_3 106.9(4) . . ?
F8_3 C4_3 C1_3 112.6(4) . . ?
F7_3 C4_3 C1_3 110.6(3) . . ?
F9_3 C4_3 C1_3 110.9(3) . . ?
C4_3 F9_3 Rb2 131.2(3) . 1_564 ?
C1_2 O1_2 Al1 143.5(3) . . ?
O1_2 C1_2 C2_2 108.2(3) . . ?
O1_2 C1_2 C3_2 110.3(3) . . ?
C2_2 C1_2 C3_2 108.9(3) . . ?
O1_2 C1_2 C4_2 112.2(3) . . ?
C2_2 C1_2 C4_2 109.5(3) . . ?
C3_2 C1_2 C4_2 107.7(3) . . ?
F2_2 C2_2 F3_2 109.2(3) . . ?
F2_2 C2_2 F1_2 107.4(3) . . ?
F3_2 C2_2 F1_2 106.6(3) . . ?
F2_2 C2_2 C1_2 112.8(3) . . ?
F3_2 C2_2 C1_2 110.9(3) . . ?
F1_2 C2_2 C1_2 109.6(3) . . ?
C2_2 F1_2 Rb1 133.3(2) . 1_465 ?
F6_2 C3_2 F5_2 108.4(3) . . ?
F6_2 C3_2 F4_2 107.3(3) . . ?
F5_2 C3_2 F4_2 107.4(3) . . ?
F6_2 C3_2 C1_2 112.0(3) . . ?
F5_2 C3_2 C1_2 110.5(3) . . ?
F4_2 C3_2 C1_2 111.1(3) . . ?
C3_2 F5_2 Rb2 136.9(2) . 1_654 ?
F7_2 C4_2 F8_2 108.8(3) . . ?
F7_2 C4_2 F9_2 107.4(3) . . ?
F8_2 C4_2 F9_2 107.0(3) . . ?
F7_2 C4_2 C1_2 110.6(3) . . ?
F8_2 C4_2 C1_2 113.2(4) . . ?
F9_2 C4_2 C1_2 109.7(3) . . ?
C4_2 F9_2 Rb1 156.9(2) . 1_465 ?
C1_1 O1_1 Al1 146.4(3) . . ?
O1_1 C1_1 C3_1 110.6(3) . . ?
O1_1 C1_1 C2_1 107.8(4) . . ?
C3_1 C1_1 C2_1 110.2(3) . . ?
O1_1 C1_1 C4_1 111.1(3) . . ?
C3_1 C1_1 C4_1 110.2(4) . . ?
C2_1 C1_1 C4_1 106.9(3) . . ?
F1_1 C2_1 F2_1 109.1(4) . . ?
F1_1 C2_1 F3_1 107.5(4) . . ?
F2_1 C2_1 F3_1 106.7(3) . . ?
F1_1 C2_1 C1_1 112.4(4) . . ?
F2_1 C2_1 C1_1 111.6(4) . . ?
F3_1 C2_1 C1_1 109.4(4) . . ?
C2_1 F3_1 Rb2 173.9(3) . 1_654 ?
F4_1 C3_1 F6_1 107.9(4) . . ?
F4_1 C3_1 F5_1 106.8(4) . . ?
F6_1 C3_1 F5_1 107.7(4) . . ?
F4_1 C3_1 C1_1 110.7(4) . . ?
F6_1 C3_1 C1_1 112.6(4) . . ?
F5_1 C3_1 C1_1 110.9(4) . . ?
F9_1 C4_1 F8_1 108.3(4) . . ?
F9_1 C4_1 F7_1 107.6(3) . . ?
F8_1 C4_1 F7_1 107.0(4) . . ?
F9_1 C4_1 C1_1 110.9(3) . . ?
F8_1 C4_1 C1_1 112.6(3) . . ?
F7_1 C4_1 C1_1 110.3(4) . . ?
C4_1 F7_1 Rb2 132.9(2) . 1_564 ?
F9_4 Rb1 F9_6 122.55(9) 1_655 1_645 ?
F9_4 Rb1 F9_2 79.22(8) 1_655 1_645 ?
F9_6 Rb1 F9_2 115.95(9) 1_645 1_645 ?
F9_4 Rb1 F8_5 102.41(9) 1_655 . ?
F9_6 Rb1 F8_5 79.88(9) 1_645 . ?
F9_2 Rb1 F8_5 160.51(8) 1_645 . ?
F9_4 Rb1 F1_2 132.21(8) 1_655 1_645 ?
F9_6 Rb1 F1_2 85.42(9) 1_645 1_645 ?
F9_2 Rb1 F1_2 53.05(7) 1_645 1_645 ?
F8_5 Rb1 F1_2 121.56(8) . 1_645 ?
F9_4 Rb1 F5_4 161.24(9) 1_655 1_645 ?
F9_6 Rb1 F5_4 64.44(9) 1_645 1_645 ?
F9_2 Rb1 F5_4 114.62(7) 1_645 1_645 ?
F8_5 Rb1 F5_4 60.20(8) . 1_645 ?
F1_2 Rb1 F5_4 62.40(8) 1_645 1_645 ?
F9_4 Rb1 F4_3 101.32(9) 1_655 1_645 ?
F9_6 Rb1 F4_3 135.68(9) 1_645 1_645 ?
F9_2 Rb1 F4_3 62.98(8) 1_645 1_645 ?
F8_5 Rb1 F4_3 97.91(9) . 1_645 ?
F1_2 Rb1 F4_3 57.85(8) 1_645 1_645 ?
F5_4 Rb1 F4_3 76.05(8) 1_645 1_645 ?
F9_4 Rb1 F9_7 63.65(8) 1_655 1_655 ?
F9_6 Rb1 F9_7 58.94(8) 1_645 1_655 ?
F9_2 Rb1 F9_7 107.73(8) 1_645 1_655 ?
F8_5 Rb1 F9_7 89.97(8) . 1_655 ?
F1_2 Rb1 F9_7 128.25(8) 1_645 1_655 ?
F5_4 Rb1 F9_7 119.54(7) 1_645 1_655 ?
F4_3 Rb1 F9_7 164.37(8) 1_645 1_655 ?
F9_4 Rb1 F6_5 66.40(8) 1_655 . ?
F9_6 Rb1 F6_5 130.23(9) 1_645 . ?
F9_2 Rb1 F6_5 113.82(8) 1_645 . ?
F8_5 Rb1 F6_5 51.77(7) . . ?
F1_2 Rb1 F6_5 126.97(8) 1_645 . ?
F5_4 Rb1 F6_5 95.59(8) 1_645 . ?
F4_3 Rb1 F6_5 70.58(8) 1_645 . ?
F9_7 Rb1 F6_5 104.74(8) 1_655 . ?
F9_4 Rb1 F1_5 76.67(9) 1_655 1_655 ?
F9_6 Rb1 F1_5 64.69(9) 1_645 1_655 ?
F9_2 Rb1 F1_5 64.66(8) 1_645 1_655 ?
F8_5 Rb1 F1_5 134.79(9) . 1_655 ?
F1_2 Rb1 F1_5 84.10(8) 1_645 1_655 ?
F5_4 Rb1 F1_5 120.05(9) 1_645 1_655 ?
F4_3 Rb1 F1_5 126.93(8) 1_645 1_655 ?
F9_7 Rb1 F1_5 48.36(7) 1_655 1_655 ?
F6_5 Rb1 F1_5 142.17(8) . 1_655 ?
O1_3 Al1 O1_1 108.49(15) . . ?
O1_3 Al1 O1_2 111.41(15) . . ?
O1_1 Al1 O1_2 108.04(15) . . ?
O1_3 Al1 O1_9 109.2(5) . . ?
O1_1 Al1 O1_9 112.5(5) . . ?
O1_2 Al1 O1_9 107.2(5) . . ?
O1_3 Al1 O1_8 107.9(17) . . ?
O1_1 Al1 O1_8 114.6(18) . . ?
O1_2 Al1 O1_8 106.4(18) . . ?
F5_7 Rb2 F6_9 147.30(12) . 1_556 ?
F5_7 Rb2 F1_3 73.26(9) . 1_546 ?
F6_9 Rb2 F1_3 110.04(13) 1_556 1_546 ?
F5_7 Rb2 F9_9 63.0(3) . 1_456 ?
F6_9 Rb2 F9_9 149.7(3) 1_556 1_456 ?
F1_3 Rb2 F9_9 73.8(2) 1_546 1_456 ?
F5_7 Rb2 F3_1 96.00(10) . 1_456 ?
F6_9 Rb2 F3_1 96.49(12) 1_556 1_456 ?
F1_3 Rb2 F3_1 145.84(8) 1_546 1_456 ?
F9_9 Rb2 F3_1 72.5(2) 1_456 1_456 ?
F5_7 Rb2 F3_6 65.20(9) . . ?
F6_9 Rb2 F3_6 94.89(14) 1_556 . ?
F1_3 Rb2 F3_6 133.29(9) 1_546 . ?
F9_9 Rb2 F3_6 103.7(2) 1_456 . ?
F3_1 Rb2 F3_6 61.75(8) 1_456 . ?
F5_7 Rb2 F7_8 66.1(10) . 1_456 ?
F1_3 Rb2 F7_8 73.8(8) 1_546 1_456 ?
F3_1 Rb2 F7_8 72.3(8) 1_456 1_456 ?
F3_6 Rb2 F7_8 106.1(8) . 1_456 ?
F5_7 Rb2 F9_3 125.22(9) . 1_546 ?
F6_9 Rb2 F9_3 67.13(14) 1_556 1_546 ?
F1_3 Rb2 F9_3 51.98(8) 1_546 1_546 ?
F9_9 Rb2 F9_3 96.7(2) 1_456 1_546 ?
F3_1 Rb2 F9_3 127.48(8) 1_456 1_546 ?
F3_6 Rb2 F9_3 159.52(9) . 1_546 ?
F7_8 Rb2 F9_3 94.4(8) 1_456 1_546 ?
F5_7 Rb2 F7_1 95.72(9) . 1_546 ?
F6_9 Rb2 F7_1 63.06(11) 1_556 1_546 ?
F1_3 Rb2 F7_1 58.41(8) 1_546 1_546 ?
F9_9 Rb2 F7_1 131.9(2) 1_456 1_546 ?
F3_1 Rb2 F7_1 155.63(8) 1_456 1_546 ?
F3_6 Rb2 F7_1 104.67(8) . 1_546 ?
F7_8 Rb2 F7_1 132.1(8) 1_456 1_546 ?
F9_3 Rb2 F7_1 59.22(7) 1_546 1_546 ?
F5_7 Rb2 F6_8 138.5(3) . 1_556 ?
F1_3 Rb2 F6_8 114.9(3) 1_546 1_556 ?
F3_1 Rb2 F6_8 94.8(3) 1_456 1_556 ?
F3_6 Rb2 F6_8 85.5(3) . 1_556 ?
F7_8 Rb2 F6_8 154.6(10) 1_456 1_556 ?
F9_3 Rb2 F6_8 75.9(3) 1_546 1_556 ?
F7_1 Rb2 F6_8 62.7(3) 1_546 1_556 ?
F5_7 Rb2 F5_2 120.69(8) . 1_456 ?
F6_9 Rb2 F5_2 91.98(12) 1_556 1_456 ?
F1_3 Rb2 F5_2 87.08(8) 1_546 1_456 ?
F9_9 Rb2 F5_2 57.8(3) 1_456 1_456 ?
F3_1 Rb2 F5_2 70.42(7) 1_456 1_456 ?
F3_6 Rb2 F5_2 132.14(8) . 1_456 ?
F7_8 Rb2 F5_2 54.7(10) 1_456 1_456 ?
F9_3 Rb2 F5_2 61.28(7) 1_546 1_456 ?
F7_1 Rb2 F5_2 120.43(7) 1_546 1_456 ?
F6_8 Rb2 F5_2 100.7(3) 1_556 1_456 ?
F5_7 Rb2 F3_7 49.38(8) . . ?
F6_9 Rb2 F3_7 100.58(11) 1_556 . ?
F1_3 Rb2 F3_7 67.06(8) 1_546 . ?
F9_9 Rb2 F3_7 108.2(3) 1_456 . ?
F3_1 Rb2 F3_7 129.82(8) 1_456 . ?
F3_6 Rb2 F3_7 69.99(8) . . ?
F7_8 Rb2 F3_7 110.8(10) 1_456 . ?
F9_3 Rb2 F3_7 102.60(7) 1_546 . ?
F7_1 Rb2 F3_7 49.61(8) 1_546 . ?
F6_8 Rb2 F3_7 94.3(3) 1_556 . ?
F5_2 Rb2 F3_7 153.79(8) 1_456 . ?
O1_5 Al2 O1_7 108.67(16) . . ?
O1_5 Al2 O1_4 107.32(15) . . ?
O1_7 Al2 O1_4 111.88(16) . . ?
O1_5 Al2 O1_6 111.15(16) . . ?
O1_7 Al2 O1_6 108.20(15) . . ?
O1_4 Al2 O1_6 109.65(15) . . ?

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
Al1 O1_9 C1_9 C3_9 -179(2) . . . . ?
Al1 O1_9 C1_9 C2_9 60(2) . . . . ?
Al1 O1_9 C1_9 C4_9 -61(2) . . . . ?
O1_9 C1_9 C2_9 F3_9 39.1(11) . . . . ?
C3_9 C1_9 C2_9 F3_9 -79.6(8) . . . . ?
C4_9 C1_9 C2_9 F3_9 162.2(7) . . . . ?
O1_9 C1_9 C2_9 F1_9 -78.0(9) . . . . ?
C3_9 C1_9 C2_9 F1_9 163.3(5) . . . . ?
C4_9 C1_9 C2_9 F1_9 45.2(7) . . . . ?
O1_9 C1_9 C2_9 F2_9 159.7(9) . . . . ?
C3_9 C1_9 C2_9 F2_9 41.0(7) . . . . ?
C4_9 C1_9 C2_9 F2_9 -77.2(7) . . . . ?
O1_9 C1_9 C3_9 F4_9 42.7(10) . . . . ?
C2_9 C1_9 C3_9 F4_9 164.4(7) . . . . ?
C4_9 C1_9 C3_9 F4_9 -77.1(7) . . . . ?
O1_9 C1_9 C3_9 F5_9 -77.4(9) . . . . ?
C2_9 C1_9 C3_9 F5_9 44.3(7) . . . . ?
C4_9 C1_9 C3_9 F5_9 162.8(6) . . . . ?
O1_9 C1_9 C3_9 F6_9 163.8(8) . . . . ?
C2_9 C1_9 C3_9 F6_9 -74.5(7) . . . . ?
C4_9 C1_9 C3_9 F6_9 44.0(7) . . . . ?
O1_9 C1_9 C3_9 Rb2 -172.7(12) . . . 1_554 ?
C2_9 C1_9 C3_9 Rb2 -51.0(14) . . . 1_554 ?
C4_9 C1_9 C3_9 Rb2 67.5(14) . . . 1_554 ?
F4_9 C3_9 F5_9 Rb2 76.2(7) . . . 1_554 ?
F6_9 C3_9 F5_9 Rb2 -37.4(5) . . . 1_554 ?
C1_9 C3_9 F5_9 Rb2 -160.6(4) . . . 1_554 ?
F4_9 C3_9 F6_9 Rb2 -65.2(7) . . . 1_554 ?
F5_9 C3_9 F6_9 Rb2 48.5(6) . . . 1_554 ?
C1_9 C3_9 F6_9 Rb2 170.6(4) . . . 1_554 ?
O1_9 C1_9 C4_9 F7_9 -73.8(10) . . . . ?
C3_9 C1_9 C4_9 F7_9 43.5(7) . . . . ?
C2_9 C1_9 C4_9 F7_9 162.5(6) . . . . ?
O1_9 C1_9 C4_9 F8_9 164.6(9) . . . . ?
C3_9 C1_9 C4_9 F8_9 -78.1(7) . . . . ?
C2_9 C1_9 C4_9 F8_9 41.0(7) . . . . ?
O1_9 C1_9 C4_9 F9_9 44.8(11) . . . . ?
C3_9 C1_9 C4_9 F9_9 162.1(7) . . . . ?
C2_9 C1_9 C4_9 F9_9 -78.9(8) . . . . ?
F7_9 C4_9 F9_9 Rb2 -70.9(12) . . . 1_654 ?
F8_9 C4_9 F9_9 Rb2 46.2(13) . . . 1_654 ?
C1_9 C4_9 F9_9 Rb2 168.6(8) . . . 1_654 ?
Al1 O1_8 C1_8 C2_8 117(7) . . . . ?
Al1 O1_8 C1_8 C4_8 -3(9) . . . . ?
Al1 O1_8 C1_8 C3_8 -123(7) . . . . ?
O1_8 C1_8 C2_8 F2_8 -164(3) . . . . ?
C4_8 C1_8 C2_8 F2_8 -42(2) . . . . ?
C3_8 C1_8 C2_8 F2_8 76(2) . . . . ?
O1_8 C1_8 C2_8 F3_8 75(3) . . . . ?
C4_8 C1_8 C2_8 F3_8 -163(2) . . . . ?
C3_8 C1_8 C2_8 F3_8 -45(2) . . . . ?
O1_8 C1_8 C2_8 F1_8 -41(3) . . . . ?
C4_8 C1_8 C2_8 F1_8 81(2) . . . . ?
C3_8 C1_8 C2_8 F1_8 -161(2) . . . . ?
O1_8 C1_8 C3_8 F4_8 78(3) . . . . ?
C2_8 C1_8 C3_8 F4_8 -161.4(16) . . . . ?
C4_8 C1_8 C3_8 F4_8 -43(2) . . . . ?
O1_8 C1_8 C3_8 F5_8 -37(3) . . . . ?
C2_8 C1_8 C3_8 F5_8 83(2) . . . . ?
C4_8 C1_8 C3_8 F5_8 -158(2) . . . . ?
O1_8 C1_8 C3_8 F6_8 -160(3) . . . . ?
C2_8 C1_8 C3_8 F6_8 -40.0(19) . . . . ?
C4_8 C1_8 C3_8 F6_8 78.8(18) . . . . ?
F4_8 C3_8 F6_8 Rb2 -129.8(13) . . . 1_554 ?
F5_8 C3_8 F6_8 Rb2 -13(3) . . . 1_554 ?
C1_8 C3_8 F6_8 Rb2 108.4(14) . . . 1_554 ?
O1_8 C1_8 C4_8 F9_8 77(3) . . . . ?
C2_8 C1_8 C4_8 F9_8 -45(2) . . . . ?
C3_8 C1_8 C4_8 F9_8 -163.5(18) . . . . ?
O1_8 C1_8 C4_8 F7_8 -42(4) . . . . ?
C2_8 C1_8 C4_8 F7_8 -163(3) . . . . ?
C3_8 C1_8 C4_8 F7_8 78(3) . . . . ?
O1_8 C1_8 C4_8 F8_8 -162(3) . . . . ?
C2_8 C1_8 C4_8 F8_8 76(2) . . . . ?
C3_8 C1_8 C4_8 F8_8 -43(2) . . . . ?
F9_8 C4_8 F7_8 Rb2 69(4) . . . 1_654 ?
F8_8 C4_8 F7_8 Rb2 -47(5) . . . 1_654 ?
C1_8 C4_8 F7_8 Rb2 -170(3) . . . 1_654 ?
Al2 O1_7 C1_7 C2_7 87.6(6) . . . . ?
Al2 O1_7 C1_7 C3_7 -153.2(5) . . . . ?
Al2 O1_7 C1_7 C4_7 -33.6(7) . . . . ?
O1_7 C1_7 C2_7 F1_7 -76.1(5) . . . . ?
C3_7 C1_7 C2_7 F1_7 166.1(4) . . . . ?
C4_7 C1_7 C2_7 F1_7 47.5(5) . . . . ?
O1_7 C1_7 C2_7 F3_7 44.3(5) . . . . ?
C3_7 C1_7 C2_7 F3_7 -73.5(5) . . . . ?
C4_7 C1_7 C2_7 F3_7 167.9(4) . . . . ?
O1_7 C1_7 C2_7 F2_7 163.4(4) . . . . ?
C3_7 C1_7 C2_7 F2_7 45.6(5) . . . . ?
C4_7 C1_7 C2_7 F2_7 -73.0(5) . . . . ?
F1_7 C2_7 F3_7 Rb2 -176.3(2) . . . . ?
F2_7 C2_7 F3_7 Rb2 -60.3(5) . . . . ?
C1_7 C2_7 F3_7 Rb2 62.4(5) . . . . ?
O1_7 C1_7 C3_7 F4_7 44.1(5) . . . . ?
C2_7 C1_7 C3_7 F4_7 163.6(4) . . . . ?
C4_7 C1_7 C3_7 F4_7 -77.9(5) . . . . ?
O1_7 C1_7 C3_7 F6_7 166.5(4) . . . . ?
C2_7 C1_7 C3_7 F6_7 -74.1(5) . . . . ?
C4_7 C1_7 C3_7 F6_7 44.4(5) . . . . ?
O1_7 C1_7 C3_7 F5_7 -74.4(5) . . . . ?
C2_7 C1_7 C3_7 F5_7 45.1(5) . . . . ?
C4_7 C1_7 C3_7 F5_7 163.6(4) . . . . ?
F4_7 C3_7 F5_7 Rb2 -102.7(11) . . . . ?
F6_7 C3_7 F5_7 Rb2 140.9(10) . . . . ?
C1_7 C3_7 F5_7 Rb2 18.8(14) . . . . ?
O1_7 C1_7 C4_7 F7_7 -75.4(5) . . . . ?
C2_7 C1_7 C4_7 F7_7 162.6(4) . . . . ?
C3_7 C1_7 C4_7 F7_7 43.4(5) . . . . ?
O1_7 C1_7 C4_7 F8_7 163.2(4) . . . . ?
C2_7 C1_7 C4_7 F8_7 41.2(5) . . . . ?
C3_7 C1_7 C4_7 F8_7 -78.0(5) . . . . ?
O1_7 C1_7 C4_7 F9_7 42.4(5) . . . . ?
C2_7 C1_7 C4_7 F9_7 -79.7(4) . . . . ?
C3_7 C1_7 C4_7 F9_7 161.1(4) . . . . ?
F7_7 C4_7 F9_7 Rb1 -48.5(4) . . . 1_455 ?
F8_7 C4_7 F9_7 Rb1 66.3(4) . . . 1_455 ?
C1_7 C4_7 F9_7 Rb1 -169.2(2) . . . 1_455 ?
Al2 O1_6 C1_6 C2_6 -85.1(6) . . . . ?
Al2 O1_6 C1_6 C4_6 155.0(4) . . . . ?
Al2 O1_6 C1_6 C3_6 35.5(7) . . . . ?
O1_6 C1_6 C2_6 F1_6 -43.3(5) . . . . ?
C4_6 C1_6 C2_6 F1_6 75.9(5) . . . . ?
C3_6 C1_6 C2_6 F1_6 -166.3(4) . . . . ?
O1_6 C1_6 C2_6 F2_6 -166.3(4) . . . . ?
C4_6 C1_6 C2_6 F2_6 -47.1(5) . . . . ?
C3_6 C1_6 C2_6 F2_6 70.7(5) . . . . ?
O1_6 C1_6 C2_6 F3_6 75.7(5) . . . . ?
C4_6 C1_6 C2_6 F3_6 -165.1(4) . . . . ?
C3_6 C1_6 C2_6 F3_6 -47.3(5) . . . . ?
F1_6 C2_6 F3_6 Rb2 -130.2(6) . . . . ?
F2_6 C2_6 F3_6 Rb2 -13.7(9) . . . . ?
C1_6 C2_6 F3_6 Rb2 108.4(6) . . . . ?
O1_6 C1_6 C3_6 F6_6 -164.7(4) . . . . ?
C2_6 C1_6 C3_6 F6_6 -42.5(6) . . . . ?
C4_6 C1_6 C3_6 F6_6 75.9(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 -41.5(5) . . . . ?
C2_6 C1_6 C3_6 F5_6 80.7(5) . . . . ?
C4_6 C1_6 C3_6 F5_6 -160.9(4) . . . . ?
O1_6 C1_6 C3_6 F4_6 75.5(5) . . . . ?
C2_6 C1_6 C3_6 F4_6 -162.4(4) . . . . ?
C4_6 C1_6 C3_6 F4_6 -43.9(5) . . . . ?
O1_6 C1_6 C4_6 F7_6 -42.8(5) . . . . ?
C2_6 C1_6 C4_6 F7_6 -163.6(4) . . . . ?
C3_6 C1_6 C4_6 F7_6 78.9(5) . . . . ?
O1_6 C1_6 C4_6 F8_6 -167.6(4) . . . . ?
C2_6 C1_6 C4_6 F8_6 71.6(5) . . . . ?
C3_6 C1_6 C4_6 F8_6 -45.9(5) . . . . ?
O1_6 C1_6 C4_6 F9_6 74.2(5) . . . . ?
C2_6 C1_6 C4_6 F9_6 -46.6(5) . . . . ?
C3_6 C1_6 C4_6 F9_6 -164.1(4) . . . . ?
F7_6 C4_6 F9_6 Rb1 -4.9(8) . . . 1_465 ?
F8_6 C4_6 F9_6 Rb1 111.4(5) . . . 1_465 ?
C1_6 C4_6 F9_6 Rb1 -125.3(5) . . . 1_465 ?
Al2 O1_5 C1_5 C4_5 166.0(5) . . . . ?
Al2 O1_5 C1_5 C2_5 -74.2(6) . . . . ?
Al2 O1_5 C1_5 C3_5 46.1(7) . . . . ?
O1_5 C1_5 C2_5 F3_5 75.0(5) . . . . ?
C4_5 C1_5 C2_5 F3_5 -166.6(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 -47.1(5) . . . . ?
O1_5 C1_5 C2_5 F2_5 -163.3(4) . . . . ?
C4_5 C1_5 C2_5 F2_5 -45.0(5) . . . . ?
C3_5 C1_5 C2_5 F2_5 74.5(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -43.7(5) . . . . ?
C4_5 C1_5 C2_5 F1_5 74.7(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 -165.8(4) . . . . ?
F3_5 C2_5 F1_5 Rb1 17.0(5) . . . 1_455 ?
F2_5 C2_5 F1_5 Rb1 -98.4(4) . . . 1_455 ?
C1_5 C2_5 F1_5 Rb1 138.2(3) . . . 1_455 ?
O1_5 C1_5 C3_5 F5_5 -44.9(5) . . . . ?
C4_5 C1_5 C3_5 F5_5 -163.6(4) . . . . ?
C2_5 C1_5 C3_5 F5_5 76.7(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 75.1(5) . . . . ?
C4_5 C1_5 C3_5 F4_5 -43.5(5) . . . . ?
C2_5 C1_5 C3_5 F4_5 -163.2(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 -166.1(4) . . . . ?
C4_5 C1_5 C3_5 F6_5 75.2(5) . . . . ?
C2_5 C1_5 C3_5 F6_5 -44.5(5) . . . . ?
F5_5 C3_5 F6_5 Rb1 148.9(3) . . . . ?
F4_5 C3_5 F6_5 Rb1 33.5(4) . . . . ?
C1_5 C3_5 F6_5 Rb1 -88.0(4) . . . . ?
O1_5 C1_5 C4_5 F7_5 -47.2(5) . . . . ?
C2_5 C1_5 C4_5 F7_5 -167.4(4) . . . . ?
C3_5 C1_5 C4_5 F7_5 73.9(5) . . . . ?
O1_5 C1_5 C4_5 F9_5 72.8(4) . . . . ?
C2_5 C1_5 C4_5 F9_5 -47.3(5) . . . . ?
C3_5 C1_5 C4_5 F9_5 -166.1(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 -167.3(4) . . . . ?
C2_5 C1_5 C4_5 F8_5 72.5(5) . . . . ?
C3_5 C1_5 C4_5 F8_5 -46.2(5) . . . . ?
F7_5 C4_5 F8_5 Rb1 -63.5(7) . . . . ?
F9_5 C4_5 F8_5 Rb1 -179.1(4) . . . . ?
C1_5 C4_5 F8_5 Rb1 58.7(7) . . . . ?
Al2 O1_4 C1_4 C2_4 -42.5(7) . . . . ?
Al2 O1_4 C1_4 C4_4 -163.4(4) . . . . ?
Al2 O1_4 C1_4 C3_4 78.7(6) . . . . ?
O1_4 C1_4 C2_4 F1_4 -75.9(5) . . . . ?
C4_4 C1_4 C2_4 F1_4 44.1(5) . . . . ?
C3_4 C1_4 C2_4 F1_4 162.6(4) . . . . ?
O1_4 C1_4 C2_4 F3_4 43.8(5) . . . . ?
C4_4 C1_4 C2_4 F3_4 163.8(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -77.7(4) . . . . ?
O1_4 C1_4 C2_4 F2_4 163.9(4) . . . . ?
C4_4 C1_4 C2_4 F2_4 -76.1(5) . . . . ?
C3_4 C1_4 C2_4 F2_4 42.4(5) . . . . ?
O1_4 C1_4 C3_4 F4_4 42.5(5) . . . . ?
C2_4 C1_4 C3_4 F4_4 165.0(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -75.5(5) . . . . ?
O1_4 C1_4 C3_4 F6_4 164.3(3) . . . . ?
C2_4 C1_4 C3_4 F6_4 -73.2(5) . . . . ?
C4_4 C1_4 C3_4 F6_4 46.3(5) . . . . ?
O1_4 C1_4 C3_4 F5_4 -75.3(4) . . . . ?
C2_4 C1_4 C3_4 F5_4 47.2(5) . . . . ?
C4_4 C1_4 C3_4 F5_4 166.7(3) . . . . ?
F4_4 C3_4 F5_4 Rb1 73.0(5) . . . 1_465 ?
F6_4 C3_4 F5_4 Rb1 -42.9(5) . . . 1_465 ?
C1_4 C3_4 F5_4 Rb1 -166.5(2) . . . 1_465 ?
O1_4 C1_4 C4_4 F8_4 165.1(4) . . . . ?
C2_4 C1_4 C4_4 F8_4 43.3(5) . . . . ?
C3_4 C1_4 C4_4 F8_4 -76.0(5) . . . . ?
O1_4 C1_4 C4_4 F7_4 -72.1(4) . . . . ?
C2_4 C1_4 C4_4 F7_4 166.0(3) . . . . ?
C3_4 C1_4 C4_4 F7_4 46.8(4) . . . . ?
O1_4 C1_4 C4_4 F9_4 45.5(5) . . . . ?
C2_4 C1_4 C4_4 F9_4 -76.3(4) . . . . ?
C3_4 C1_4 C4_4 F9_4 164.5(4) . . . . ?
F8_4 C4_4 F9_4 Rb1 107.7(6) . . . 1_455 ?
F7_4 C4_4 F9_4 Rb1 -7.2(8) . . . 1_455 ?
C1_4 C4_4 F9_4 Rb1 -128.4(5) . . . 1_455 ?
Al1 O1_3 C1_3 C2_3 -88.7(5) . . . . ?
Al1 O1_3 C1_3 C3_3 31.7(6) . . . . ?
Al1 O1_3 C1_3 C4_3 151.9(4) . . . . ?
O1_3 C1_3 C2_3 F3_3 43.9(5) . . . . ?
C3_3 C1_3 C2_3 F3_3 -78.9(4) . . . . ?
C4_3 C1_3 C2_3 F3_3 162.1(4) . . . . ?
O1_3 C1_3 C2_3 F2_3 165.4(3) . . . . ?
C3_3 C1_3 C2_3 F2_3 42.7(5) . . . . ?
C4_3 C1_3 C2_3 F2_3 -76.4(5) . . . . ?
O1_3 C1_3 C2_3 F1_3 -75.3(4) . . . . ?
C3_3 C1_3 C2_3 F1_3 161.9(3) . . . . ?
C4_3 C1_3 C2_3 F1_3 42.9(5) . . . . ?
F3_3 C2_3 F1_3 Rb2 -139.6(7) . . . 1_564 ?
F2_3 C2_3 F1_3 Rb2 105.6(8) . . . 1_564 ?
C1_3 C2_3 F1_3 Rb2 -17.5(10) . . . 1_564 ?
O1_3 C1_3 C3_3 F6_3 162.9(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -75.9(4) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.4(5) . . . . ?
O1_3 C1_3 C3_3 F5_3 -74.8(4) . . . . ?
C2_3 C1_3 C3_3 F5_3 46.4(4) . . . . ?
C4_3 C1_3 C3_3 F5_3 165.7(4) . . . . ?
O1_3 C1_3 C3_3 F4_3 43.1(5) . . . . ?
C2_3 C1_3 C3_3 F4_3 164.4(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -76.3(4) . . . . ?
F6_3 C3_3 F4_3 Rb1 -14.8(6) . . . 1_465 ?
F5_3 C3_3 F4_3 Rb1 -130.6(3) . . . 1_465 ?
C1_3 C3_3 F4_3 Rb1 108.5(4) . . . 1_465 ?
O1_3 C1_3 C4_3 F8_3 165.0(4) . . . . ?
C2_3 C1_3 C4_3 F8_3 45.6(5) . . . . ?
C3_3 C1_3 C4_3 F8_3 -72.8(5) . . . . ?
O1_3 C1_3 C4_3 F7_3 -74.2(5) . . . . ?
C2_3 C1_3 C4_3 F7_3 166.4(4) . . . . ?
C3_3 C1_3 C4_3 F7_3 48.0(5) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.2(5) . . . . ?
C2_3 C1_3 C4_3 F9_3 -75.2(5) . . . . ?
C3_3 C1_3 C4_3 F9_3 166.4(4) . . . . ?
F8_3 C4_3 F9_3 Rb2 -44.5(5) . . . 1_564 ?
F7_3 C4_3 F9_3 Rb2 -160.2(2) . . . 1_564 ?
C1_3 C4_3 F9_3 Rb2 79.2(4) . . . 1_564 ?
Al1 O1_2 C1_2 C2_2 168.0(3) . . . . ?
Al1 O1_2 C1_2 C3_2 -73.0(5) . . . . ?
Al1 O1_2 C1_2 C4_2 47.1(6) . . . . ?
O1_2 C1_2 C2_2 F2_2 -166.1(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 74.0(4) . . . . ?
C4_2 C1_2 C2_2 F2_2 -43.6(5) . . . . ?
O1_2 C1_2 C2_2 F3_2 70.9(4) . . . . ?
C3_2 C1_2 C2_2 F3_2 -48.9(5) . . . . ?
C4_2 C1_2 C2_2 F3_2 -166.5(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 -46.5(4) . . . . ?
C3_2 C1_2 C2_2 F1_2 -166.4(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 76.1(4) . . . . ?
F2_2 C2_2 F1_2 Rb1 39.0(5) . . . 1_465 ?
F3_2 C2_2 F1_2 Rb1 156.0(2) . . . 1_465 ?
C1_2 C2_2 F1_2 Rb1 -83.9(4) . . . 1_465 ?
O1_2 C1_2 C3_2 F6_2 -157.4(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -38.8(4) . . . . ?
C4_2 C1_2 C3_2 F6_2 79.9(4) . . . . ?
O1_2 C1_2 C3_2 F5_2 -36.4(5) . . . . ?
C2_2 C1_2 C3_2 F5_2 82.2(4) . . . . ?
C4_2 C1_2 C3_2 F5_2 -159.2(3) . . . . ?
O1_2 C1_2 C3_2 F4_2 82.7(4) . . . . ?
C2_2 C1_2 C3_2 F4_2 -158.7(3) . . . . ?
C4_2 C1_2 C3_2 F4_2 -40.1(4) . . . . ?
F6_2 C3_2 F5_2 Rb2 -94.3(4) . . . 1_654 ?
F4_2 C3_2 F5_2 Rb2 21.3(5) . . . 1_654 ?
C1_2 C3_2 F5_2 Rb2 142.7(3) . . . 1_654 ?
O1_2 C1_2 C4_2 F7_2 -41.3(5) . . . . ?
C2_2 C1_2 C4_2 F7_2 -161.5(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 80.3(4) . . . . ?
O1_2 C1_2 C4_2 F8_2 -163.6(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 76.3(4) . . . . ?
C3_2 C1_2 C4_2 F8_2 -42.0(4) . . . . ?
O1_2 C1_2 C4_2 F9_2 77.0(4) . . . . ?
C2_2 C1_2 C4_2 F9_2 -43.2(5) . . . . ?
C3_2 C1_2 C4_2 F9_2 -161.4(3) . . . . ?
F7_2 C4_2 F9_2 Rb1 136.1(5) . . . 1_465 ?
F8_2 C4_2 F9_2 Rb1 -107.3(6) . . . 1_465 ?
C1_2 C4_2 F9_2 Rb1 15.8(9) . . . 1_465 ?
Al1 O1_1 C1_1 C3_1 -64.5(6) . . . . ?
Al1 O1_1 C1_1 C2_1 175.0(4) . . . . ?
Al1 O1_1 C1_1 C4_1 58.1(6) . . . . ?
O1_1 C1_1 C2_1 F1_1 -74.3(4) . . . . ?
C3_1 C1_1 C2_1 F1_1 164.9(4) . . . . ?
C4_1 C1_1 C2_1 F1_1 45.2(5) . . . . ?
O1_1 C1_1 C2_1 F2_1 162.8(3) . . . . ?
C3_1 C1_1 C2_1 F2_1 42.0(5) . . . . ?
C4_1 C1_1 C2_1 F2_1 -77.7(4) . . . . ?
O1_1 C1_1 C2_1 F3_1 45.0(5) . . . . ?
C3_1 C1_1 C2_1 F3_1 -75.7(5) . . . . ?
C4_1 C1_1 C2_1 F3_1 164.5(4) . . . . ?
O1_1 C1_1 C3_1 F4_1 45.8(5) . . . . ?
C2_1 C1_1 C3_1 F4_1 164.9(4) . . . . ?
C4_1 C1_1 C3_1 F4_1 -77.4(5) . . . . ?
O1_1 C1_1 C3_1 F6_1 166.7(4) . . . . ?
C2_1 C1_1 C3_1 F6_1 -74.2(5) . . . . ?
C4_1 C1_1 C3_1 F6_1 43.5(5) . . . . ?
O1_1 C1_1 C3_1 F5_1 -72.5(4) . . . . ?
C2_1 C1_1 C3_1 F5_1 46.5(5) . . . . ?
C4_1 C1_1 C3_1 F5_1 164.3(4) . . . . ?
O1_1 C1_1 C4_1 F9_1 41.4(5) . . . . ?
C3_1 C1_1 C4_1 F9_1 164.3(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 -76.0(4) . . . . ?
O1_1 C1_1 C4_1 F8_1 163.0(4) . . . . ?
C3_1 C1_1 C4_1 F8_1 -74.1(5) . . . . ?
C2_1 C1_1 C4_1 F8_1 45.6(5) . . . . ?
O1_1 C1_1 C4_1 F7_1 -77.6(4) . . . . ?
C3_1 C1_1 C4_1 F7_1 45.3(5) . . . . ?
C2_1 C1_1 C4_1 F7_1 165.0(3) . . . . ?
F9_1 C4_1 F7_1 Rb2 62.3(4) . . . 1_564 ?
F8_1 C4_1 F7_1 Rb2 -53.9(5) . . . 1_564 ?
C1_1 C4_1 F7_1 Rb2 -176.7(2) . . . 1_564 ?
C1_3 O1_3 Al1 O1_1 159.5(5) . . . . ?
C1_3 O1_3 Al1 O1_2 -81.7(5) . . . . ?
C1_3 O1_3 Al1 O1_9 36.6(8) . . . . ?
C1_3 O1_3 Al1 O1_8 35(2) . . . . ?
C1_1 O1_1 Al1 O1_3 -39.6(5) . . . . ?
C1_1 O1_1 Al1 O1_2 -160.5(5) . . . . ?
C1_1 O1_1 Al1 O1_9 81.3(7) . . . . ?
C1_1 O1_1 Al1 O1_8 81.1(19) . . . . ?
C1_2 O1_2 Al1 O1_3 -81.2(5) . . . . ?
C1_2 O1_2 Al1 O1_1 37.8(5) . . . . ?
C1_2 O1_2 Al1 O1_9 159.3(7) . . . . ?
C1_2 O1_2 Al1 O1_8 161.4(18) . . . . ?
C1_9 O1_9 Al1 O1_3 -160(2) . . . . ?
C1_9 O1_9 Al1 O1_1 80(2) . . . . ?
C1_9 O1_9 Al1 O1_2 -39(2) . . . . ?
C1_8 O1_8 Al1 O1_3 -170(7) . . . . ?
C1_8 O1_8 Al1 O1_1 69(8) . . . . ?
C1_8 O1_8 Al1 O1_2 -50(8) . . . . ?
C1_5 O1_5 Al2 O1_7 162.9(5) . . . . ?
C1_5 O1_5 Al2 O1_4 41.8(6) . . . . ?
C1_5 O1_5 Al2 O1_6 -78.1(6) . . . . ?
C1_7 O1_7 Al2 O1_5 -50.2(6) . . . . ?
C1_7 O1_7 Al2 O1_4 68.1(6) . . . . ?
C1_7 O1_7 Al2 O1_6 -171.0(6) . . . . ?
C1_4 O1_4 Al2 O1_5 -163.1(5) . . . . ?
C1_4 O1_4 Al2 O1_7 77.8(5) . . . . ?
C1_4 O1_4 Al2 O1_6 -42.2(6) . . . . ?
C1_6 O1_6 Al2 O1_5 -72.5(5) . . . . ?
C1_6 O1_6 Al2 O1_7 46.8(6) . . . . ?
C1_6 O1_6 Al2 O1_4 169.0(5) . . . . ?

_refine_diff_density_max         0.580
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.052

####################################################################### 
# 
# 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_p21_c_a
_database_code_depnum_ccdc_archive 'CCDC 1960195'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 Al F36 K O4'
_chemical_formula_weight         1006.24

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   23.8816(11)
_cell_length_b                   12.9259(6)
_cell_length_c                   20.6284(10)
_cell_angle_alpha                90
_cell_angle_beta                 115.546(2)
_cell_angle_gamma                90
_cell_volume                     5745.3(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9609
_cell_measurement_theta_min      2.461
_cell_measurement_theta_max      26.566

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.327
_exptl_crystal_F_000             3872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.480
_shelx_estimated_absorpt_T_min   0.931
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6695
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
'TWINABS 2012/1, Sheldrick, University of Goettingen, Germany'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MoK\a
_diffrn_measurement_device_type  'INCOATEC Mo Microsource'
_diffrn_measurement_method       'Bruker Smart Apex II Quazar'
_diffrn_detector_area_resol_mean 'omega and phi scans'
_diffrn_reflns_number            133383
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         0.945
_diffrn_reflns_theta_max         26.667
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11962
_reflns_number_gt                10682
_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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'

_refine_special_details          
;
 Refined as a 2-component 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)+(0.0570P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11962
_refine_ls_number_parameters     1046
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0847
_refine_ls_wR_factor_gt          0.0820
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
K1 K 0.19248(3) 0.23432(4) 0.32771(4) 0.01972(13) Uani 1 1 d . . . . .
Al1 Al 0.09244(3) 0.73813(5) 0.13730(4) 0.01120(16) Uani 1 1 d . . . . .
F1 F -0.03056(9) 0.91248(13) 0.17968(12) 0.0370(5) Uani 1 1 d . . . . .
C1 C -0.03515(12) 0.74771(19) 0.12633(15) 0.0143(5) Uani 1 1 d . . . . .
O1 O 0.01418(8) 0.75810(13) 0.11144(11) 0.0154(4) Uani 1 1 d . . . . .
K2 K 0.30872(3) 0.76141(5) 0.13640(4) 0.02059(13) Uani 1 1 d . . . . .
F2 F -0.06761(9) 0.90699(13) 0.06526(12) 0.0362(5) Uani 1 1 d . . . . .
C2 C -0.06443(13) 0.8566(2) 0.12179(19) 0.0254(7) Uani 1 1 d . . . . .
O2 O 0.10780(8) 0.61044(13) 0.16335(10) 0.0158(4) Uani 1 1 d . . . . .
Al03 Al 0.40706(3) 0.24602(5) 0.54339(4) 0.01082(16) Uani 1 1 d . . . . .
F3 F -0.12248(8) 0.85124(12) 0.11842(11) 0.0306(4) Uani 1 1 d . . . . .
C3 C -0.08347(13) 0.6754(2) 0.06966(17) 0.0228(6) Uani 1 1 d . . . . .
O3 O 0.11049(8) 0.76872(13) 0.06690(10) 0.0139(4) Uani 1 1 d . . . . .
F4 F -0.11271(8) 0.72394(16) 0.00705(10) 0.0372(5) Uani 1 1 d . . . . .
C4 C -0.01734(13) 0.7015(2) 0.20197(17) 0.0231(6) Uani 1 1 d . . . . .
O4 O 0.13856(8) 0.81469(13) 0.20890(10) 0.0157(4) Uani 1 1 d . . . . .
F5 F -0.12760(8) 0.64391(13) 0.09045(10) 0.0304(4) Uani 1 1 d . . . . .
C5 C 0.14934(11) 0.53547(19) 0.19726(15) 0.0145(5) Uani 1 1 d . . . . .
O5 O 0.35949(8) 0.32636(13) 0.56558(10) 0.0148(4) Uani 1 1 d . . . . .
F6 F -0.05687(9) 0.59281(13) 0.05903(12) 0.0394(5) Uani 1 1 d . . . . .
C6 C 0.11450(13) 0.4298(2) 0.17586(16) 0.0209(6) Uani 1 1 d . . . . .
O6 O 0.48446(8) 0.26909(13) 0.59582(10) 0.0154(4) Uani 1 1 d . . . . .
F7 F 0.03415(7) 0.74449(16) 0.24992(10) 0.0336(4) Uani 1 1 d . . . . .
C7 C 0.17587(13) 0.5486(2) 0.27921(16) 0.0227(6) Uani 1 1 d . . . . .
O7 O 0.39006(8) 0.12063(13) 0.55717(10) 0.0156(4) Uani 1 1 d . . . . .
F8 F -0.00731(8) 0.60041(13) 0.20261(11) 0.0342(5) Uani 1 1 d . . . . .
C8 C 0.20353(12) 0.5353(2) 0.17397(16) 0.0216(6) Uani 1 1 d . . . . .
O8 O 0.39002(8) 0.26899(13) 0.45434(10) 0.0144(4) Uani 1 1 d . . . . .
F9 F -0.06214(7) 0.71480(13) 0.22519(9) 0.0265(4) Uani 1 1 d . . . . .
C9 C 0.09113(12) 0.76758(18) -0.00507(15) 0.0132(5) Uani 1 1 d . . . . .
F10 F 0.08023(8) 0.42466(12) 0.10649(9) 0.0265(4) Uani 1 1 d . . . . .
C10 C 0.14240(12) 0.81817(19) -0.02174(15) 0.0172(5) Uani 1 1 d . . . . .
F12 F 0.15471(8) 0.34858(12) 0.19349(10) 0.0313(4) Uani 1 1 d . . . . .
C12 C 0.07979(12) 0.6549(2) -0.03432(15) 0.0172(5) Uani 1 1 d . . . . .
C11 C 0.02963(12) 0.83059(19) -0.04397(14) 0.0160(5) Uani 1 1 d . . . . .
F11 F 0.07916(8) 0.41595(12) 0.21021(10) 0.0304(4) Uani 1 1 d . . . . .
F13 F 0.13194(8) 0.57448(14) 0.29961(9) 0.0318(4) Uani 1 1 d . . . . .
C13 C 0.16429(11) 0.90800(19) 0.23265(15) 0.0153(5) Uani 1 1 d . . . . .
F14 F 0.20190(8) 0.46013(13) 0.31420(9) 0.0281(4) Uani 1 1 d . . . . .
C14 C 0.13576(13) 0.99454(19) 0.17549(15) 0.0204(6) Uani 1 1 d . . . . .
F15 F 0.21973(9) 0.62136(13) 0.30219(10) 0.0350(5) Uani 1 1 d . . . . .
C15 C 0.23525(12) 0.9013(2) 0.25452(16) 0.0198(6) Uani 1 1 d . . . . .
F16 F 0.18576(8) 0.49632(14) 0.10869(10) 0.0311(4) Uani 1 1 d . . . . .
C16 C 0.15396(13) 0.9360(2) 0.30003(16) 0.0216(6) Uani 1 1 d . . . . .
C18 C 0.29518(14) 0.4251(2) 0.60163(17) 0.0248(6) Uani 1 1 d . . . . .
F18 F 0.22270(7) 0.63282(12) 0.17249(11) 0.0296(4) Uani 1 1 d . . . . .
F17 F 0.25243(7) 0.48174(13) 0.21846(11) 0.0315(4) Uani 1 1 d . . . . .
C17 C 0.33482(12) 0.42217(19) 0.55889(15) 0.0160(6) Uani 1 1 d . . . . .
F19 F 0.14450(7) 0.91982(11) -0.01083(10) 0.0237(4) Uani 1 1 d . . . . .
C19 C 0.38686(13) 0.5053(2) 0.58906(16) 0.0212(6) Uani 1 1 d . . . . .
F29 F 0.15886(8) 0.99371(12) 0.12747(9) 0.0272(4) Uani 1 1 d . . . . .
C29 C 0.41105(12) 0.26079(18) 0.40323(15) 0.0132(5) Uani 1 1 d . . . . .
F28 F 0.14656(9) 1.09051(12) 0.20525(10) 0.0303(4) Uani 1 1 d . . . . .
C28 C 0.36430(13) 0.0137(2) 0.63259(16) 0.0220(6) Uani 1 1 d . . . . .
F27 F 0.13393(7) 0.60656(11) -0.01860(9) 0.0236(4) Uani 1 1 d . . . . .
C27 C 0.35654(13) -0.0478(2) 0.51286(16) 0.0214(6) Uani 1 1 d . . . . .
F26 F 0.04980(7) 0.60154(11) -0.00362(9) 0.0222(4) Uani 1 1 d . . . . .
C26 C 0.28050(13) 0.0854(2) 0.51784(16) 0.0214(6) Uani 1 1 d . . . . .
F25 F 0.04722(8) 0.64996(12) -0.10475(9) 0.0237(4) Uani 1 1 d . . . . .
C25 C 0.34916(11) 0.04660(18) 0.55487(15) 0.0140(5) Uani 1 1 d . . . . .
F24 F -0.01926(7) 0.77533(12) -0.04961(10) 0.0234(4) Uani 1 1 d . . . . .
C24 C 0.51664(13) 0.2422(2) 0.72171(17) 0.0251(7) Uani 1 1 d . . . . .
F23 F 0.03137(7) 0.91531(11) -0.00705(9) 0.0226(4) Uani 1 1 d . . . . .
C23 C 0.57872(13) 0.3490(2) 0.67153(16) 0.0239(6) Uani 1 1 d . . . . .
F22 F 0.02113(8) 0.85875(13) -0.10985(9) 0.0243(4) Uani 1 1 d . . . . .
C22 C 0.56954(13) 0.1552(2) 0.65318(17) 0.0275(7) Uani 1 1 d . . . . .
F21 F 0.19892(7) 0.78094(12) 0.02321(9) 0.0235(4) Uani 1 1 d . . . . .
C21 C 0.53502(12) 0.25383(19) 0.65860(15) 0.0150(6) Uani 1 1 d . . . . .
F20 F 0.13643(7) 0.80105(12) -0.08743(9) 0.0239(4) Uani 1 1 d . . . . .
C20 C 0.29301(13) 0.4473(2) 0.47920(15) 0.0198(6) Uani 1 1 d . . . . .
F32 F 0.24510(7) 0.85324(13) 0.20225(10) 0.0279(4) Uani 1 1 d . . . . .
C32 C 0.42675(13) 0.14651(19) 0.39385(15) 0.0182(6) Uani 1 1 d . . . . .
F31 F 0.26228(8) 0.99359(13) 0.26437(11) 0.0322(4) Uani 1 1 d . . . . .
C31 C 0.35925(12) 0.3002(2) 0.33183(15) 0.0186(6) Uani 1 1 d . . . . .
F30 F 0.07489(7) 0.98302(12) 0.14139(10) 0.0290(4) Uani 1 1 d . . . . .
C30 C 0.47036(12) 0.32819(19) 0.42118(15) 0.0174(6) Uani 1 1 d . . . . .
F36 F 0.19077(8) 1.01541(12) 0.33752(9) 0.0267(4) Uani 1 1 d . . . . .
F37 F 0.24136(8) 0.37634(13) 0.56726(11) 0.0331(4) Uani 1 1 d . . . . .
F38 F 0.32450(9) 0.38126(13) 0.66554(10) 0.0345(4) Uani 1 1 d . . . . .
F39 F 0.28179(8) 0.52303(12) 0.61366(10) 0.0291(4) Uani 1 1 d . . . . .
F40 F 0.41352(8) 0.50465(13) 0.65972(10) 0.0352(4) Uani 1 1 d . . . . .
F41 F 0.42977(7) 0.48886(12) 0.56539(10) 0.0277(4) Uani 1 1 d . . . . .
F42 F 0.36428(8) 0.60210(11) 0.56844(10) 0.0281(4) Uani 1 1 d . . . . .
F43 F 0.32579(8) 0.47408(12) 0.44384(9) 0.0258(4) Uani 1 1 d . . . . .
F44 F 0.25252(7) 0.52374(12) 0.47117(10) 0.0283(4) Uani 1 1 d . . . . .
F45 F 0.25971(8) 0.36305(12) 0.44651(9) 0.0277(4) Uani 1 1 d . . . . .
F46 F 0.59939(9) 0.17177(15) 0.61177(11) 0.0386(5) Uani 1 1 d . . . . .
F47 F 0.61298(7) 0.12476(13) 0.71777(10) 0.0279(4) Uani 1 1 d . . . . .
F48 F 0.53096(9) 0.07860(12) 0.62421(12) 0.0424(5) Uani 1 1 d . . . . .
F49 F 0.63548(7) 0.33175(13) 0.72417(9) 0.0287(4) Uani 1 1 d . . . . .
F50 F 0.58460(8) 0.37572(14) 0.61342(9) 0.0337(4) Uani 1 1 d . . . . .
F51 F 0.55597(9) 0.43064(12) 0.69213(10) 0.0359(4) Uani 1 1 d . . . . .
F52 F 0.56532(7) 0.25375(13) 0.78614(9) 0.0244(4) Uani 1 1 d . . . . .
F53 F 0.49461(9) 0.14738(14) 0.72209(10) 0.0382(5) Uani 1 1 d . . . . .
F54 F 0.47479(9) 0.30924(16) 0.71807(10) 0.0405(5) Uani 1 1 d . . . . .
F55 F 0.27204(7) 0.14004(12) 0.45936(9) 0.0262(4) Uani 1 1 d . . . . .
F56 F 0.26720(8) 0.14736(12) 0.56095(11) 0.0303(4) Uani 1 1 d . . . . .
F57 F 0.24028(7) 0.00769(13) 0.49781(10) 0.0278(4) Uani 1 1 d . . . . .
F58 F 0.32817(8) -0.03145(14) 0.44281(9) 0.0302(4) Uani 1 1 d . . . . .
F59 F 0.33238(8) -0.13577(12) 0.52721(11) 0.0314(4) Uani 1 1 d . . . . .
F60 F 0.41597(8) -0.06676(12) 0.53002(10) 0.0261(4) Uani 1 1 d . . . . .
F61 F 0.31985(8) -0.04852(12) 0.63626(9) 0.0268(4) Uani 1 1 d . . . . .
F62 F 0.41769(8) -0.03881(13) 0.66011(10) 0.0316(4) Uani 1 1 d . . . . .
F63 F 0.36976(8) 0.09424(12) 0.67422(9) 0.0285(4) Uani 1 1 d . . . . .
F64 F 0.47994(8) 0.34832(12) 0.36332(9) 0.0237(4) Uani 1 1 d . . . . .
F65 F 0.52090(7) 0.27998(12) 0.46866(9) 0.0237(4) Uani 1 1 d . . . . .
F66 F 0.46544(8) 0.41698(11) 0.45040(9) 0.0254(4) Uani 1 1 d . . . . .
F67 F 0.36688(8) 0.26993(12) 0.27492(9) 0.0249(4) Uani 1 1 d . . . . .
F68 F 0.30371(7) 0.26453(14) 0.32426(10) 0.0299(4) Uani 1 1 d . . . . .
F69 F 0.35597(8) 0.40265(12) 0.33121(9) 0.0269(4) Uani 1 1 d . . . . .
F70 F 0.45815(7) 0.10269(11) 0.45751(9) 0.0235(4) Uani 1 1 d . . . . .
F71 F 0.46004(8) 0.13822(12) 0.35591(9) 0.0254(4) Uani 1 1 d . . . . .
F72 F 0.37453(8) 0.09208(12) 0.36023(10) 0.0291(4) Uani 1 1 d . . . . .
F35 F 0.09566(7) 0.96480(13) 0.28192(10) 0.0306(4) Uani 1 1 d . . . . .
F34 F 0.16589(9) 0.85681(12) 0.34427(9) 0.0294(4) Uani 1 1 d . . . . .
F33 F 0.26372(7) 0.84606(13) 0.31318(10) 0.0298(4) Uani 1 1 d . . . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 F68 2.7162(17) . ?
K1 F3 2.8134(18) 2_545 ?
K1 F45 2.8211(17) . ?
K1 F9 2.8310(16) 2_545 ?
K1 F55 2.8320(17) . ?
K1 F36 2.8385(16) 1_545 ?
K1 F12 2.9167(19) . ?
K1 F28 2.9412(18) 1_545 ?
K1 F14 2.9498(17) . ?
K1 F5 2.979(2) 2_545 ?
Al1 O4 1.7236(19) . ?
Al1 O2 1.7256(18) . ?
Al1 O1 1.7274(19) . ?
Al1 O3 1.730(2) . ?
F1 C2 1.330(4) . ?
C1 O1 1.346(3) . ?
C1 C4 1.549(4) . ?
C1 C3 1.552(4) . ?
C1 C2 1.556(3) . ?
K2 F21 2.6667(16) . ?
K2 F32 2.7096(18) . ?
K2 F52 2.7376(17) 3_666 ?
K2 F61 2.7648(16) 4_565 ?
K2 F39 2.8525(17) 4_575 ?
K2 F49 2.8622(18) 3_666 ?
K2 F42 2.9058(18) 4_575 ?
K2 F18 2.9760(17) . ?
K2 F59 3.0213(19) 4_565 ?
K2 F47 3.1399(19) 3_666 ?
F2 C2 1.309(4) . ?
C2 F3 1.360(3) . ?
O2 C5 1.347(3) . ?
Al03 O6 1.7180(19) . ?
Al03 O7 1.7239(18) . ?
Al03 O8 1.727(2) . ?
Al03 O5 1.7398(19) . ?
F3 K1 2.8135(18) 2 ?
C3 F6 1.308(3) . ?
C3 F4 1.331(4) . ?
C3 F5 1.360(3) . ?
O3 C9 1.351(3) . ?
C4 F7 1.323(3) . ?
C4 F8 1.327(3) . ?
C4 F9 1.358(3) . ?
O4 C13 1.346(3) . ?
F5 K1 2.979(2) 2 ?
C5 C7 1.538(4) . ?
C5 C6 1.561(3) . ?
C5 C8 1.563(4) . ?
O5 C17 1.353(3) . ?
C6 F10 1.308(3) . ?
C6 F11 1.328(3) . ?
C6 F12 1.362(3) . ?
O6 C21 1.351(3) . ?
C7 F13 1.331(3) . ?
C7 F15 1.334(3) . ?
C7 F14 1.352(3) . ?
O7 C25 1.354(3) . ?
C8 F16 1.324(4) . ?
C8 F17 1.327(3) . ?
C8 F18 1.346(3) . ?
O8 C29 1.353(3) . ?
F9 K1 2.8310(16) 2 ?
C9 C10 1.552(4) . ?
C9 C12 1.555(3) . ?
C9 C11 1.565(3) . ?
C10 F20 1.319(3) . ?
C10 F19 1.330(3) . ?
C10 F21 1.354(3) . ?
C12 F25 1.321(3) . ?
C12 F26 1.335(3) . ?
C12 F27 1.344(3) . ?
C11 F23 1.324(3) . ?
C11 F24 1.330(3) . ?
C11 F22 1.335(3) . ?
C13 C14 1.553(4) . ?
C13 C16 1.555(4) . ?
C13 C15 1.557(4) . ?
C14 F30 1.322(3) . ?
C14 F29 1.326(3) . ?
C14 F28 1.359(3) . ?
C15 F33 1.314(3) . ?
C15 F31 1.329(3) . ?
C15 F32 1.350(3) . ?
C16 F34 1.318(3) . ?
C16 F35 1.330(3) . ?
C16 F36 1.356(3) . ?
C18 F38 1.324(4) . ?
C18 F37 1.329(4) . ?
C18 F39 1.355(3) . ?
C18 C17 1.547(4) . ?
C17 C20 1.546(4) . ?
C17 C19 1.556(4) . ?
C19 F40 1.315(4) . ?
C19 F41 1.329(3) . ?
C19 F42 1.356(3) . ?
C29 C31 1.545(4) . ?
C29 C32 1.556(3) . ?
C29 C30 1.565(4) . ?
F28 K1 2.9411(18) 1_565 ?
C28 F63 1.319(3) . ?
C28 F62 1.336(3) . ?
C28 F61 1.360(3) . ?
C28 C25 1.543(4) . ?
C27 F58 1.322(3) . ?
C27 F60 1.329(3) . ?
C27 F59 1.364(3) . ?
C27 C25 1.550(4) . ?
C26 F57 1.327(3) . ?
C26 F56 1.333(3) . ?
C26 F55 1.336(3) . ?
C26 C25 1.563(4) . ?
C24 F54 1.300(3) . ?
C24 F53 1.335(3) . ?
C24 F52 1.345(3) . ?
C24 C21 1.550(4) . ?
C23 F50 1.312(4) . ?
C23 F51 1.337(4) . ?
C23 F49 1.341(3) . ?
C23 C21 1.560(4) . ?
C22 F48 1.308(3) . ?
C22 F46 1.345(4) . ?
C22 F47 1.347(3) . ?
C22 C21 1.549(4) . ?
C20 F43 1.325(3) . ?
C20 F44 1.341(3) . ?
C20 F45 1.346(3) . ?
C32 F70 1.326(3) . ?
C32 F72 1.336(3) . ?
C32 F71 1.339(3) . ?
C31 F67 1.322(3) . ?
C31 F69 1.326(3) . ?
C31 F68 1.348(3) . ?
C30 F66 1.325(3) . ?
C30 F64 1.334(3) . ?
C30 F65 1.336(3) . ?
F36 K1 2.8385(16) 1_565 ?
F39 K2 2.8525(17) 4_576 ?
F42 K2 2.9056(18) 4_576 ?
F47 K2 3.1400(19) 3_666 ?
F49 K2 2.8623(18) 3_666 ?
F52 K2 2.7376(17) 3_666 ?
F59 K2 3.0212(19) 4_566 ?
F61 K2 2.7647(16) 4_566 ?

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
F68 K1 F3 133.44(5) . 2_545 ?
F68 K1 F45 75.01(6) . . ?
F3 K1 F45 63.42(5) 2_545 . ?
F68 K1 F9 158.12(6) . 2_545 ?
F3 K1 F9 57.20(5) 2_545 2_545 ?
F45 K1 F9 120.44(5) . 2_545 ?
F68 K1 F55 80.08(5) . . ?
F3 K1 F55 96.87(6) 2_545 . ?
F45 K1 F55 61.68(5) . . ?
F9 K1 F55 120.18(5) 2_545 . ?
F68 K1 F36 100.92(6) . 1_545 ?
F3 K1 F36 118.56(5) 2_545 1_545 ?
F45 K1 F36 123.12(5) . 1_545 ?
F9 K1 F36 83.76(5) 2_545 1_545 ?
F55 K1 F36 61.77(5) . 1_545 ?
F68 K1 F12 78.92(5) . . ?
F3 K1 F12 96.30(6) 2_545 . ?
F45 K1 F12 110.68(5) . . ?
F9 K1 F12 80.84(5) 2_545 . ?
F55 K1 F12 158.93(5) . . ?
F36 K1 F12 124.36(5) 1_545 . ?
F68 K1 F28 94.30(6) . 1_545 ?
F3 K1 F28 127.86(6) 2_545 1_545 ?
F45 K1 F28 168.70(6) . 1_545 ?
F9 K1 F28 70.85(5) 2_545 1_545 ?
F55 K1 F28 113.52(5) . 1_545 ?
F36 K1 F28 54.52(5) 1_545 1_545 ?
F12 K1 F28 69.91(5) . 1_545 ?
F68 K1 F14 74.93(5) . . ?
F3 K1 F14 65.69(5) 2_545 . ?
F45 K1 F14 57.35(5) . . ?
F9 K1 F14 99.66(5) 2_545 . ?
F55 K1 F14 118.00(5) . . ?
F36 K1 F14 175.69(5) 1_545 . ?
F12 K1 F14 54.14(5) . . ?
F28 K1 F14 124.03(5) 1_545 . ?
F68 K1 F5 145.58(5) . 2_545 ?
F3 K1 F5 56.22(5) 2_545 2_545 ?
F45 K1 F5 88.82(6) . 2_545 ?
F9 K1 F5 55.20(5) 2_545 2_545 ?
F55 K1 F5 65.51(5) . 2_545 ?
F36 K1 F5 62.71(5) 1_545 2_545 ?
F12 K1 F5 135.50(5) . 2_545 ?
F28 K1 F5 98.42(5) 1_545 2_545 ?
F14 K1 F5 121.42(5) . 2_545 ?
O4 Al1 O2 108.11(9) . . ?
O4 Al1 O1 112.66(10) . . ?
O2 Al1 O1 107.19(9) . . ?
O4 Al1 O3 106.84(9) . . ?
O2 Al1 O3 112.56(9) . . ?
O1 Al1 O3 109.56(10) . . ?
O1 C1 C4 112.4(2) . . ?
O1 C1 C3 109.1(2) . . ?
C4 C1 C3 108.6(2) . . ?
O1 C1 C2 108.1(2) . . ?
C4 C1 C2 109.3(2) . . ?
C3 C1 C2 109.3(2) . . ?
C1 O1 Al1 148.36(19) . . ?
F21 K2 F32 81.10(5) . . ?
F21 K2 F52 159.38(6) . 3_666 ?
F32 K2 F52 116.83(6) . 3_666 ?
F21 K2 F61 98.74(5) . 4_565 ?
F32 K2 F61 120.76(6) . 4_565 ?
F52 K2 F61 81.23(5) 3_666 4_565 ?
F21 K2 F39 72.34(5) . 4_575 ?
F32 K2 F39 61.26(5) . 4_575 ?
F52 K2 F39 106.20(5) 3_666 4_575 ?
F61 K2 F39 170.75(6) 4_565 4_575 ?
F21 K2 F49 140.86(5) . 3_666 ?
F32 K2 F49 78.43(6) . 3_666 ?
F52 K2 F49 57.66(5) 3_666 3_666 ?
F61 K2 F49 65.10(5) 4_565 3_666 ?
F39 K2 F49 123.40(6) 4_575 3_666 ?
F21 K2 F42 90.08(5) . 4_575 ?
F32 K2 F42 116.57(5) . 4_575 ?
F52 K2 F42 73.12(5) 3_666 4_575 ?
F61 K2 F42 122.66(5) 4_565 4_575 ?
F39 K2 F42 56.29(5) 4_575 4_575 ?
F49 K2 F42 128.95(5) 3_666 4_575 ?
F21 K2 F18 75.38(5) . . ?
F32 K2 F18 61.47(5) . . ?
F52 K2 F18 121.15(5) 3_666 . ?
F61 K2 F18 61.41(5) 4_565 . ?
F39 K2 F18 117.11(5) 4_575 . ?
F49 K2 F18 65.55(5) 3_666 . ?
F42 K2 F18 165.45(5) 4_575 . ?
F21 K2 F59 80.07(5) . 4_565 ?
F32 K2 F59 159.19(5) . 4_565 ?
F52 K2 F59 83.39(5) 3_666 4_565 ?
F61 K2 F59 54.21(5) 4_565 4_565 ?
F39 K2 F59 120.25(5) 4_575 4_565 ?
F49 K2 F59 111.55(5) 3_666 4_565 ?
F42 K2 F59 72.27(5) 4_575 4_565 ?
F18 K2 F59 104.92(5) . 4_565 ?
F21 K2 F47 138.50(5) . 3_666 ?
F32 K2 F47 62.97(5) . 3_666 ?
F52 K2 F47 54.82(5) 3_666 3_666 ?
F61 K2 F47 116.72(5) 4_565 3_666 ?
F39 K2 F47 72.47(5) 4_575 3_666 ?
F49 K2 F47 53.67(5) 3_666 3_666 ?
F42 K2 F47 88.31(5) 4_575 3_666 ?
F18 K2 F47 102.25(5) . 3_666 ?
F59 K2 F47 137.78(5) 4_565 3_666 ?
F2 C2 F1 108.0(2) . . ?
F2 C2 F3 108.3(2) . . ?
F1 C2 F3 106.6(2) . . ?
F2 C2 C1 110.8(2) . . ?
F1 C2 C1 110.7(2) . . ?
F3 C2 C1 112.3(2) . . ?
C5 O2 Al1 149.31(17) . . ?
O6 Al03 O7 108.99(9) . . ?
O6 Al03 O8 109.61(10) . . ?
O7 Al03 O8 111.89(9) . . ?
O6 Al03 O5 112.22(9) . . ?
O7 Al03 O5 106.91(9) . . ?
O8 Al03 O5 107.22(9) . . ?
C2 F3 K1 140.67(16) . 2 ?
F6 C3 F4 108.2(3) . . ?
F6 C3 F5 107.9(2) . . ?
F4 C3 F5 107.1(2) . . ?
F6 C3 C1 111.1(2) . . ?
F4 C3 C1 110.8(2) . . ?
F5 C3 C1 111.6(2) . . ?
C9 O3 Al1 145.98(16) . . ?
F7 C4 F8 107.5(2) . . ?
F7 C4 F9 107.6(2) . . ?
F8 C4 F9 106.7(2) . . ?
F7 C4 C1 110.7(2) . . ?
F8 C4 C1 111.1(2) . . ?
F9 C4 C1 113.0(2) . . ?
C13 O4 Al1 148.09(18) . . ?
C3 F5 K1 136.43(15) . 2 ?
O2 C5 C7 110.7(2) . . ?
O2 C5 C6 107.4(2) . . ?
C7 C5 C6 108.9(2) . . ?
O2 C5 C8 111.3(2) . . ?
C7 C5 C8 109.6(2) . . ?
C6 C5 C8 108.8(2) . . ?
C17 O5 Al03 145.56(18) . . ?
F10 C6 F11 109.6(2) . . ?
F10 C6 F12 106.8(2) . . ?
F11 C6 F12 106.9(2) . . ?
F10 C6 C5 111.1(2) . . ?
F11 C6 C5 110.6(2) . . ?
F12 C6 C5 111.7(2) . . ?
C21 O6 Al03 148.46(18) . . ?
F13 C7 F15 108.4(2) . . ?
F13 C7 F14 106.7(2) . . ?
F15 C7 F14 107.3(2) . . ?
F13 C7 C5 111.6(2) . . ?
F15 C7 C5 110.9(2) . . ?
F14 C7 C5 111.7(2) . . ?
C25 O7 Al03 151.24(17) . . ?
F16 C8 F17 107.8(2) . . ?
F16 C8 F18 107.2(2) . . ?
F17 C8 F18 107.3(2) . . ?
F16 C8 C5 111.6(2) . . ?
F17 C8 C5 112.8(2) . . ?
F18 C8 C5 109.9(2) . . ?
C29 O8 Al03 144.95(16) . . ?
C4 F9 K1 141.05(16) . 2 ?
O3 C9 C10 108.0(2) . . ?
O3 C9 C12 110.9(2) . . ?
C10 C9 C12 109.3(2) . . ?
O3 C9 C11 111.0(2) . . ?
C10 C9 C11 108.8(2) . . ?
C12 C9 C11 108.7(2) . . ?
F20 C10 F19 108.6(2) . . ?
F20 C10 F21 106.1(2) . . ?
F19 C10 F21 106.4(2) . . ?
F20 C10 C9 114.3(2) . . ?
F19 C10 C9 110.8(2) . . ?
F21 C10 C9 110.3(2) . . ?
C6 F12 K1 122.52(17) . . ?
F25 C12 F26 108.4(2) . . ?
F25 C12 F27 107.0(2) . . ?
F26 C12 F27 107.6(2) . . ?
F25 C12 C9 113.2(2) . . ?
F26 C12 C9 109.8(2) . . ?
F27 C12 C9 110.7(2) . . ?
F23 C11 F24 107.6(2) . . ?
F23 C11 F22 108.3(2) . . ?
F24 C11 F22 108.4(2) . . ?
F23 C11 C9 110.2(2) . . ?
F24 C11 C9 111.1(2) . . ?
F22 C11 C9 111.2(2) . . ?
O4 C13 C14 112.8(2) . . ?
O4 C13 C16 108.1(2) . . ?
C14 C13 C16 108.9(2) . . ?
O4 C13 C15 108.9(2) . . ?
C14 C13 C15 109.0(2) . . ?
C16 C13 C15 109.0(2) . . ?
C7 F14 K1 148.33(16) . . ?
F30 C14 F29 108.5(2) . . ?
F30 C14 F28 107.1(2) . . ?
F29 C14 F28 106.6(2) . . ?
F30 C14 C13 110.1(2) . . ?
F29 C14 C13 111.9(2) . . ?
F28 C14 C13 112.3(2) . . ?
F33 C15 F31 108.8(2) . . ?
F33 C15 F32 106.6(2) . . ?
F31 C15 F32 107.1(2) . . ?
F33 C15 C13 111.3(2) . . ?
F31 C15 C13 113.0(2) . . ?
F32 C15 C13 109.7(2) . . ?
F34 C16 F35 107.4(2) . . ?
F34 C16 F36 107.4(2) . . ?
F35 C16 F36 106.9(2) . . ?
F34 C16 C13 111.6(2) . . ?
F35 C16 C13 111.4(2) . . ?
F36 C16 C13 111.8(2) . . ?
F38 C18 F37 107.6(2) . . ?
F38 C18 F39 106.4(2) . . ?
F37 C18 F39 106.9(2) . . ?
F38 C18 C17 111.5(2) . . ?
F37 C18 C17 111.9(2) . . ?
F39 C18 C17 112.2(2) . . ?
C8 F18 K2 143.80(16) . . ?
O5 C17 C20 110.8(2) . . ?
O5 C17 C18 108.1(2) . . ?
C20 C17 C18 109.1(2) . . ?
O5 C17 C19 110.7(2) . . ?
C20 C17 C19 108.5(2) . . ?
C18 C17 C19 109.6(2) . . ?
F40 C19 F41 109.0(2) . . ?
F40 C19 F42 106.9(2) . . ?
F41 C19 F42 107.3(2) . . ?
F40 C19 C17 111.1(2) . . ?
F41 C19 C17 110.6(2) . . ?
F42 C19 C17 111.8(2) . . ?
O8 C29 C31 107.6(2) . . ?
O8 C29 C32 111.2(2) . . ?
C31 C29 C32 109.3(2) . . ?
O8 C29 C30 112.0(2) . . ?
C31 C29 C30 108.2(2) . . ?
C32 C29 C30 108.4(2) . . ?
C14 F28 K1 153.26(16) . 1_565 ?
F63 C28 F62 108.4(2) . . ?
F63 C28 F61 106.9(2) . . ?
F62 C28 F61 107.5(2) . . ?
F63 C28 C25 111.9(2) . . ?
F62 C28 C25 109.5(2) . . ?
F61 C28 C25 112.4(2) . . ?
F58 C27 F60 107.8(2) . . ?
F58 C27 F59 107.7(2) . . ?
F60 C27 F59 106.9(2) . . ?
F58 C27 C25 110.9(2) . . ?
F60 C27 C25 111.2(2) . . ?
F59 C27 C25 112.0(2) . . ?
F57 C26 F56 108.3(2) . . ?
F57 C26 F55 108.2(2) . . ?
F56 C26 F55 107.3(2) . . ?
F57 C26 C25 112.1(2) . . ?
F56 C26 C25 111.6(2) . . ?
F55 C26 C25 109.2(2) . . ?
O7 C25 C28 108.4(2) . . ?
O7 C25 C27 108.8(2) . . ?
C28 C25 C27 109.4(2) . . ?
O7 C25 C26 112.3(2) . . ?
C28 C25 C26 108.8(2) . . ?
C27 C25 C26 109.1(2) . . ?
F54 C24 F53 108.5(2) . . ?
F54 C24 F52 107.4(2) . . ?
F53 C24 F52 105.7(2) . . ?
F54 C24 C21 112.1(2) . . ?
F53 C24 C21 110.4(2) . . ?
F52 C24 C21 112.5(2) . . ?
F50 C23 F51 107.5(2) . . ?
F50 C23 F49 108.3(2) . . ?
F51 C23 F49 106.3(2) . . ?
F50 C23 C21 112.2(2) . . ?
F51 C23 C21 110.1(2) . . ?
F49 C23 C21 112.0(2) . . ?
F48 C22 F46 107.0(3) . . ?
F48 C22 F47 108.7(2) . . ?
F46 C22 F47 106.4(2) . . ?
F48 C22 C21 111.3(2) . . ?
F46 C22 C21 111.0(2) . . ?
F47 C22 C21 112.1(2) . . ?
C10 F21 K2 161.19(16) . . ?
O6 C21 C22 109.5(2) . . ?
O6 C21 C24 111.1(2) . . ?
C22 C21 C24 109.5(2) . . ?
O6 C21 C23 107.7(2) . . ?
C22 C21 C23 108.9(2) . . ?
C24 C21 C23 110.1(2) . . ?
F43 C20 F44 107.8(2) . . ?
F43 C20 F45 107.3(2) . . ?
F44 C20 F45 107.2(2) . . ?
F43 C20 C17 112.1(2) . . ?
F44 C20 C17 112.8(2) . . ?
F45 C20 C17 109.5(2) . . ?
C15 F32 K2 158.50(16) . . ?
F70 C32 F72 107.0(2) . . ?
F70 C32 F71 108.7(2) . . ?
F72 C32 F71 108.1(2) . . ?
F70 C32 C29 110.2(2) . . ?
F72 C32 C29 110.1(2) . . ?
F71 C32 C29 112.6(2) . . ?
F67 C31 F69 108.5(2) . . ?
F67 C31 F68 107.5(2) . . ?
F69 C31 F68 106.8(2) . . ?
F67 C31 C29 112.9(2) . . ?
F69 C31 C29 111.0(2) . . ?
F68 C31 C29 109.9(2) . . ?
F66 C30 F64 108.7(2) . . ?
F66 C30 F65 107.4(2) . . ?
F64 C30 F65 107.3(2) . . ?
F66 C30 C29 109.9(2) . . ?
F64 C30 C29 112.6(2) . . ?
F65 C30 C29 110.7(2) . . ?
C16 F36 K1 137.73(16) . 1_565 ?
C18 F39 K2 152.72(17) . 4_576 ?
C19 F42 K2 127.70(16) . 4_576 ?
C20 F45 K1 154.78(17) . . ?
C22 F47 K2 134.22(16) . 3_666 ?
C23 F49 K2 138.94(17) . 3_666 ?
C24 F52 K2 146.42(17) . 3_666 ?
C26 F55 K1 150.59(16) . . ?
C27 F59 K2 147.39(17) . 4_566 ?
C28 F61 K2 131.81(15) . 4_566 ?
C31 F68 K1 166.07(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
C4 C1 O1 Al1 4.5(4) . . . . ?
C3 C1 O1 Al1 -116.0(3) . . . . ?
C2 C1 O1 Al1 125.2(3) . . . . ?
O4 Al1 O1 C1 -69.8(3) . . . . ?
O2 Al1 O1 C1 49.0(3) . . . . ?
O3 Al1 O1 C1 171.5(3) . . . . ?
O1 C1 C2 F2 43.6(3) . . . . ?
C4 C1 C2 F2 166.2(2) . . . . ?
C3 C1 C2 F2 -75.1(3) . . . . ?
O1 C1 C2 F1 -76.2(3) . . . . ?
C4 C1 C2 F1 46.4(3) . . . . ?
C3 C1 C2 F1 165.1(2) . . . . ?
O1 C1 C2 F3 164.9(2) . . . . ?
C4 C1 C2 F3 -72.5(3) . . . . ?
C3 C1 C2 F3 46.2(3) . . . . ?
O4 Al1 O2 C5 -43.0(4) . . . . ?
O1 Al1 O2 C5 -164.7(4) . . . . ?
O3 Al1 O2 C5 74.8(4) . . . . ?
F2 C2 F3 K1 158.66(18) . . . 2 ?
F1 C2 F3 K1 -85.4(3) . . . 2 ?
C1 C2 F3 K1 36.0(4) . . . 2 ?
O1 C1 C3 F6 46.1(3) . . . . ?
C4 C1 C3 F6 -76.7(3) . . . . ?
C2 C1 C3 F6 164.1(2) . . . . ?
O1 C1 C3 F4 -74.2(3) . . . . ?
C4 C1 C3 F4 163.0(2) . . . . ?
C2 C1 C3 F4 43.8(3) . . . . ?
O1 C1 C3 F5 166.6(2) . . . . ?
C4 C1 C3 F5 43.8(3) . . . . ?
C2 C1 C3 F5 -75.4(3) . . . . ?
O4 Al1 O3 C9 -158.2(3) . . . . ?
O2 Al1 O3 C9 83.3(3) . . . . ?
O1 Al1 O3 C9 -35.8(3) . . . . ?
O1 C1 C4 F7 43.3(3) . . . . ?
C3 C1 C4 F7 164.2(2) . . . . ?
C2 C1 C4 F7 -76.7(3) . . . . ?
O1 C1 C4 F8 -76.0(3) . . . . ?
C3 C1 C4 F8 44.8(3) . . . . ?
C2 C1 C4 F8 164.0(2) . . . . ?
O1 C1 C4 F9 164.1(2) . . . . ?
C3 C1 C4 F9 -75.1(3) . . . . ?
C2 C1 C4 F9 44.1(3) . . . . ?
O2 Al1 O4 C13 161.8(3) . . . . ?
O1 Al1 O4 C13 -79.9(3) . . . . ?
O3 Al1 O4 C13 40.4(3) . . . . ?
F6 C3 F5 K1 156.50(17) . . . 2 ?
F4 C3 F5 K1 -87.3(3) . . . 2 ?
C1 C3 F5 K1 34.1(4) . . . 2 ?
Al1 O2 C5 C7 73.5(4) . . . . ?
Al1 O2 C5 C6 -167.7(3) . . . . ?
Al1 O2 C5 C8 -48.7(5) . . . . ?
O6 Al03 O5 C17 78.6(3) . . . . ?
O7 Al03 O5 C17 -162.0(3) . . . . ?
O8 Al03 O5 C17 -41.8(3) . . . . ?
O2 C5 C6 F10 46.5(3) . . . . ?
C7 C5 C6 F10 166.5(2) . . . . ?
C8 C5 C6 F10 -74.1(3) . . . . ?
O2 C5 C6 F11 -75.3(3) . . . . ?
C7 C5 C6 F11 44.6(3) . . . . ?
C8 C5 C6 F11 164.0(2) . . . . ?
O2 C5 C6 F12 165.7(2) . . . . ?
C7 C5 C6 F12 -74.3(3) . . . . ?
C8 C5 C6 F12 45.1(3) . . . . ?
O7 Al03 O6 C21 -36.8(3) . . . . ?
O8 Al03 O6 C21 -159.6(3) . . . . ?
O5 Al03 O6 C21 81.4(3) . . . . ?
O2 C5 C7 F13 41.5(3) . . . . ?
C6 C5 C7 F13 -76.4(3) . . . . ?
C8 C5 C7 F13 164.6(2) . . . . ?
O2 C5 C7 F15 -79.5(3) . . . . ?
C6 C5 C7 F15 162.6(2) . . . . ?
C8 C5 C7 F15 43.7(3) . . . . ?
O2 C5 C7 F14 160.9(2) . . . . ?
C6 C5 C7 F14 43.0(3) . . . . ?
C8 C5 C7 F14 -76.0(3) . . . . ?
O6 Al03 O7 C25 158.7(4) . . . . ?
O8 Al03 O7 C25 -80.0(4) . . . . ?
O5 Al03 O7 C25 37.2(4) . . . . ?
O2 C5 C8 F16 -74.6(3) . . . . ?
C7 C5 C8 F16 162.6(2) . . . . ?
C6 C5 C8 F16 43.6(3) . . . . ?
O2 C5 C8 F17 163.9(2) . . . . ?
C7 C5 C8 F17 41.1(3) . . . . ?
C6 C5 C8 F17 -77.9(3) . . . . ?
O2 C5 C8 F18 44.2(3) . . . . ?
C7 C5 C8 F18 -78.6(3) . . . . ?
C6 C5 C8 F18 162.4(2) . . . . ?
O6 Al03 O8 C29 37.2(3) . . . . ?
O7 Al03 O8 C29 -83.8(3) . . . . ?
O5 Al03 O8 C29 159.3(3) . . . . ?
F7 C4 F9 K1 151.85(18) . . . 2 ?
F8 C4 F9 K1 -93.0(3) . . . 2 ?
C1 C4 F9 K1 29.3(4) . . . 2 ?
Al1 O3 C9 C10 178.6(2) . . . . ?
Al1 O3 C9 C12 -61.6(4) . . . . ?
Al1 O3 C9 C11 59.3(3) . . . . ?
O3 C9 C10 F20 165.08(19) . . . . ?
C12 C9 C10 F20 44.3(3) . . . . ?
C11 C9 C10 F20 -74.3(3) . . . . ?
O3 C9 C10 F19 -71.9(3) . . . . ?
C12 C9 C10 F19 167.4(2) . . . . ?
C11 C9 C10 F19 48.8(3) . . . . ?
O3 C9 C10 F21 45.6(3) . . . . ?
C12 C9 C10 F21 -75.2(3) . . . . ?
C11 C9 C10 F21 166.2(2) . . . . ?
F10 C6 F12 K1 -143.45(16) . . . . ?
F11 C6 F12 K1 -26.2(3) . . . . ?
C5 C6 F12 K1 94.9(2) . . . . ?
O3 C9 C12 F25 164.8(2) . . . . ?
C10 C9 C12 F25 -76.2(3) . . . . ?
C11 C9 C12 F25 42.5(3) . . . . ?
O3 C9 C12 F26 43.5(3) . . . . ?
C10 C9 C12 F26 162.6(2) . . . . ?
C11 C9 C12 F26 -78.8(3) . . . . ?
O3 C9 C12 F27 -75.2(3) . . . . ?
C10 C9 C12 F27 43.9(3) . . . . ?
C11 C9 C12 F27 162.5(2) . . . . ?
O3 C9 C11 F23 39.5(3) . . . . ?
C10 C9 C11 F23 -79.3(3) . . . . ?
C12 C9 C11 F23 161.7(2) . . . . ?
O3 C9 C11 F24 -79.7(3) . . . . ?
C10 C9 C11 F24 161.5(2) . . . . ?
C12 C9 C11 F24 42.5(3) . . . . ?
O3 C9 C11 F22 159.5(2) . . . . ?
C10 C9 C11 F22 40.7(3) . . . . ?
C12 C9 C11 F22 -78.2(3) . . . . ?
Al1 O4 C13 C14 13.2(4) . . . . ?
Al1 O4 C13 C16 133.7(3) . . . . ?
Al1 O4 C13 C15 -108.0(3) . . . . ?
F13 C7 F14 K1 75.2(4) . . . . ?
F15 C7 F14 K1 -168.8(2) . . . . ?
C5 C7 F14 K1 -47.0(4) . . . . ?
O4 C13 C14 F30 41.1(3) . . . . ?
C16 C13 C14 F30 -78.9(3) . . . . ?
C15 C13 C14 F30 162.3(2) . . . . ?
O4 C13 C14 F29 -79.8(3) . . . . ?
C16 C13 C14 F29 160.3(2) . . . . ?
C15 C13 C14 F29 41.4(3) . . . . ?
O4 C13 C14 F28 160.4(2) . . . . ?
C16 C13 C14 F28 40.4(3) . . . . ?
C15 C13 C14 F28 -78.5(3) . . . . ?
O4 C13 C15 F33 -70.4(3) . . . . ?
C14 C13 C15 F33 166.2(2) . . . . ?
C16 C13 C15 F33 47.4(3) . . . . ?
O4 C13 C15 F31 166.8(2) . . . . ?
C14 C13 C15 F31 43.4(3) . . . . ?
C16 C13 C15 F31 -75.4(3) . . . . ?
O4 C13 C15 F32 47.4(3) . . . . ?
C14 C13 C15 F32 -76.1(3) . . . . ?
C16 C13 C15 F32 165.1(2) . . . . ?
O4 C13 C16 F34 44.6(3) . . . . ?
C14 C13 C16 F34 167.4(2) . . . . ?
C15 C13 C16 F34 -73.7(3) . . . . ?
O4 C13 C16 F35 -75.5(3) . . . . ?
C14 C13 C16 F35 47.4(3) . . . . ?
C15 C13 C16 F35 166.3(2) . . . . ?
O4 C13 C16 F36 165.0(2) . . . . ?
C14 C13 C16 F36 -72.2(3) . . . . ?
C15 C13 C16 F36 46.7(3) . . . . ?
F16 C8 F18 K2 -54.5(3) . . . . ?
F17 C8 F18 K2 61.1(4) . . . . ?
C5 C8 F18 K2 -175.97(17) . . . . ?
Al03 O5 C17 C20 61.7(4) . . . . ?
Al03 O5 C17 C18 -178.8(2) . . . . ?
Al03 O5 C17 C19 -58.8(4) . . . . ?
F38 C18 C17 O5 44.9(3) . . . . ?
F37 C18 C17 O5 -75.8(3) . . . . ?
F39 C18 C17 O5 164.1(2) . . . . ?
F38 C18 C17 C20 165.4(2) . . . . ?
F37 C18 C17 C20 44.8(3) . . . . ?
F39 C18 C17 C20 -75.4(3) . . . . ?
F38 C18 C17 C19 -75.9(3) . . . . ?
F37 C18 C17 C19 163.5(2) . . . . ?
F39 C18 C17 C19 43.3(3) . . . . ?
O5 C17 C19 F40 -74.8(3) . . . . ?
C20 C17 C19 F40 163.4(2) . . . . ?
C18 C17 C19 F40 44.3(3) . . . . ?
O5 C17 C19 F41 46.3(3) . . . . ?
C20 C17 C19 F41 -75.5(3) . . . . ?
C18 C17 C19 F41 165.4(2) . . . . ?
O5 C17 C19 F42 165.8(2) . . . . ?
C20 C17 C19 F42 44.0(3) . . . . ?
C18 C17 C19 F42 -75.0(3) . . . . ?
Al03 O8 C29 C31 177.5(2) . . . . ?
Al03 O8 C29 C32 57.8(4) . . . . ?
Al03 O8 C29 C30 -63.7(3) . . . . ?
F30 C14 F28 K1 115.1(3) . . . 1_565 ?
F29 C14 F28 K1 -128.8(3) . . . 1_565 ?
C13 C14 F28 K1 -5.9(5) . . . 1_565 ?
Al03 O7 C25 C28 -114.1(4) . . . . ?
Al03 O7 C25 C27 127.0(3) . . . . ?
Al03 O7 C25 C26 6.1(5) . . . . ?
F63 C28 C25 O7 50.1(3) . . . . ?
F62 C28 C25 O7 -70.2(3) . . . . ?
F61 C28 C25 O7 170.4(2) . . . . ?
F63 C28 C25 C27 168.5(2) . . . . ?
F62 C28 C25 C27 48.3(3) . . . . ?
F61 C28 C25 C27 -71.1(3) . . . . ?
F63 C28 C25 C26 -72.3(3) . . . . ?
F62 C28 C25 C26 167.4(2) . . . . ?
F61 C28 C25 C26 48.0(3) . . . . ?
F58 C27 C25 O7 -79.1(3) . . . . ?
F60 C27 C25 O7 40.9(3) . . . . ?
F59 C27 C25 O7 160.5(2) . . . . ?
F58 C27 C25 C28 162.7(2) . . . . ?
F60 C27 C25 C28 -77.3(3) . . . . ?
F59 C27 C25 C28 42.2(3) . . . . ?
F58 C27 C25 C26 43.7(3) . . . . ?
F60 C27 C25 C26 163.7(2) . . . . ?
F59 C27 C25 C26 -76.7(3) . . . . ?
F57 C26 C25 O7 162.6(2) . . . . ?
F56 C26 C25 O7 -75.7(3) . . . . ?
F55 C26 C25 O7 42.8(3) . . . . ?
F57 C26 C25 C28 -77.3(3) . . . . ?
F56 C26 C25 C28 44.3(3) . . . . ?
F55 C26 C25 C28 162.8(2) . . . . ?
F57 C26 C25 C27 41.9(3) . . . . ?
F56 C26 C25 C27 163.6(2) . . . . ?
F55 C26 C25 C27 -77.9(3) . . . . ?
F20 C10 F21 K2 143.9(4) . . . . ?
F19 C10 F21 K2 28.4(6) . . . . ?
C9 C10 F21 K2 -91.8(5) . . . . ?
Al03 O6 C21 C22 88.6(4) . . . . ?
Al03 O6 C21 C24 -32.4(4) . . . . ?
Al03 O6 C21 C23 -153.0(3) . . . . ?
F48 C22 C21 O6 -45.8(3) . . . . ?
F46 C22 C21 O6 73.3(3) . . . . ?
F47 C22 C21 O6 -167.9(2) . . . . ?
F48 C22 C21 C24 76.2(3) . . . . ?
F46 C22 C21 C24 -164.7(2) . . . . ?
F47 C22 C21 C24 -45.9(3) . . . . ?
F48 C22 C21 C23 -163.4(3) . . . . ?
F46 C22 C21 C23 -44.3(3) . . . . ?
F47 C22 C21 C23 74.5(3) . . . . ?
F54 C24 C21 O6 -42.8(3) . . . . ?
F53 C24 C21 O6 78.3(3) . . . . ?
F52 C24 C21 O6 -163.9(2) . . . . ?
F54 C24 C21 C22 -163.9(2) . . . . ?
F53 C24 C21 C22 -42.8(3) . . . . ?
F52 C24 C21 C22 75.0(3) . . . . ?
F54 C24 C21 C23 76.4(3) . . . . ?
F53 C24 C21 C23 -162.5(2) . . . . ?
F52 C24 C21 C23 -44.7(3) . . . . ?
F50 C23 C21 O6 -44.8(3) . . . . ?
F51 C23 C21 O6 74.9(3) . . . . ?
F49 C23 C21 O6 -166.9(2) . . . . ?
F50 C23 C21 C22 73.9(3) . . . . ?
F51 C23 C21 C22 -166.3(2) . . . . ?
F49 C23 C21 C22 -48.2(3) . . . . ?
F50 C23 C21 C24 -166.0(2) . . . . ?
F51 C23 C21 C24 -46.3(3) . . . . ?
F49 C23 C21 C24 71.8(3) . . . . ?
O5 C17 C20 F43 -78.5(3) . . . . ?
C18 C17 C20 F43 162.6(2) . . . . ?
C19 C17 C20 F43 43.3(3) . . . . ?
O5 C17 C20 F44 159.7(2) . . . . ?
C18 C17 C20 F44 40.8(3) . . . . ?
C19 C17 C20 F44 -78.6(3) . . . . ?
O5 C17 C20 F45 40.4(3) . . . . ?
C18 C17 C20 F45 -78.4(3) . . . . ?
C19 C17 C20 F45 162.2(2) . . . . ?
F33 C15 F32 K2 -50.8(5) . . . . ?
F31 C15 F32 K2 65.6(5) . . . . ?
C13 C15 F32 K2 -171.4(3) . . . . ?
O8 C29 C32 F70 -44.7(3) . . . . ?
C31 C29 C32 F70 -163.4(2) . . . . ?
C30 C29 C32 F70 78.8(3) . . . . ?
O8 C29 C32 F72 73.1(3) . . . . ?
C31 C29 C32 F72 -45.7(3) . . . . ?
C30 C29 C32 F72 -163.5(2) . . . . ?
O8 C29 C32 F71 -166.2(2) . . . . ?
C31 C29 C32 F71 75.0(3) . . . . ?
C30 C29 C32 F71 -42.7(3) . . . . ?
O8 C29 C31 F67 -162.3(2) . . . . ?
C32 C29 C31 F67 -41.4(3) . . . . ?
C30 C29 C31 F67 76.5(3) . . . . ?
O8 C29 C31 F69 75.7(3) . . . . ?
C32 C29 C31 F69 -163.4(2) . . . . ?
C30 C29 C31 F69 -45.5(3) . . . . ?
O8 C29 C31 F68 -42.2(3) . . . . ?
C32 C29 C31 F68 78.7(3) . . . . ?
C30 C29 C31 F68 -163.4(2) . . . . ?
O8 C29 C30 F66 -38.2(3) . . . . ?
C31 C29 C30 F66 80.3(3) . . . . ?
C32 C29 C30 F66 -161.2(2) . . . . ?
O8 C29 C30 F64 -159.6(2) . . . . ?
C31 C29 C30 F64 -41.1(3) . . . . ?
C32 C29 C30 F64 77.4(3) . . . . ?
O8 C29 C30 F65 80.4(3) . . . . ?
C31 C29 C30 F65 -161.1(2) . . . . ?
C32 C29 C30 F65 -42.6(3) . . . . ?
F34 C16 F36 K1 -158.29(16) . . . 1_565 ?
F35 C16 F36 K1 -43.2(3) . . . 1_565 ?
C13 C16 F36 K1 78.9(3) . . . 1_565 ?
F38 C18 F39 K2 92.3(4) . . . 4_576 ?
F37 C18 F39 K2 -152.8(3) . . . 4_576 ?
C17 C18 F39 K2 -29.8(5) . . . 4_576 ?
F40 C19 F42 K2 -37.0(3) . . . 4_576 ?
F41 C19 F42 K2 -153.75(15) . . . 4_576 ?
C17 C19 F42 K2 84.8(3) . . . 4_576 ?
F43 C20 F45 K1 -32.6(5) . . . . ?
F44 C20 F45 K1 82.9(4) . . . . ?
C17 C20 F45 K1 -154.5(3) . . . . ?
F48 C22 F47 K2 -148.60(18) . . . 3_666 ?
F46 C22 F47 K2 96.5(3) . . . 3_666 ?
C21 C22 F47 K2 -25.1(4) . . . 3_666 ?
F50 C23 F49 K2 -165.90(16) . . . 3_666 ?
F51 C23 F49 K2 78.8(3) . . . 3_666 ?
C21 C23 F49 K2 -41.5(4) . . . 3_666 ?
F54 C24 F52 K2 -149.8(2) . . . 3_666 ?
F53 C24 F52 K2 94.5(3) . . . 3_666 ?
C21 C24 F52 K2 -26.1(4) . . . 3_666 ?
F57 C26 F55 K1 43.1(4) . . . . ?
F56 C26 F55 K1 -73.6(4) . . . . ?
C25 C26 F55 K1 165.3(2) . . . . ?
F58 C27 F59 K2 -156.7(2) . . . 4_566 ?
F60 C27 F59 K2 87.6(3) . . . 4_566 ?
C25 C27 F59 K2 -34.5(4) . . . 4_566 ?
F63 C28 F61 K2 -143.46(16) . . . 4_566 ?
F62 C28 F61 K2 -27.2(3) . . . 4_566 ?
C25 C28 F61 K2 93.4(2) . . . 4_566 ?
F67 C31 F68 K1 -150.1(6) . . . . ?
F69 C31 F68 K1 -33.9(8) . . . . ?
C29 C31 F68 K1 86.6(7) . . . . ?

_refine_diff_density_max         0.816
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.069

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_N2H7PF_100K
_database_code_depnum_ccdc_archive 'CCDC 1960204'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
_vrf_PLAT771_N2H7PF_100K         
;
PROBLEM: Suspect N-H Bond in CIF: N1       --H3        ..       1.60 Ang.
RESPONSE: This is bond between NH4+ and NH3 fragments in complex N2H7+ cation.
The length is in agreement with DFT calculations
;
_vrf_PLAT088_N2H7PF_100K         
;
PROBLEM: Poor Data / Parameter Ratio ....................       7.76 Note  
RESPONSE: The ratio is the result of disorder in C(CF3)3 groups. However,
there are many restraints and constraints applied which make the structure
reasonable.
;
_vrf_PLAT230_N2H7PF_100K         
;
PROBLEM: Hirshfeld Test Diff for    F5_21    --C3_21    .        7.5 s.u.  
RESPONSE: This is the result of disorder in C(CF3)3
;
_vrf_PLAT353_N2H7PF_100K         
;
PROBLEM: Long   N-H (N0.87,N1.01A)  N2       - H3       .       1.09 Ang.  
RESPONSE: The distance is in agreement with DFT calculations
;
_vrf_PLAT417_N2H7PF_100K         
;
PROBLEM: Short Inter D-H..H-D       H1A      ..H3       .       2.09 Ang.  
RESPONSE: Such short distance is a feature of N2H7+ cation
;
_vrf_PLAT434_N2H7PF_100K         
;
PROBLEM: Short Inter HL..HL Contact F3_20    ..F1_16            2.36 Ang.  
RESPONSE: Such short distance is a feature of N2H7+ cation
;
# end Validation Reply Form
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H7 Al F36 N2 O4'
_chemical_formula_weight         1002.22

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'
N N 0.0061 0.0033 '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'

_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                   17.4972(8)
_cell_length_b                   17.5074(7)
_cell_length_c                   20.3760(9)
_cell_angle_alpha                91.583(2)
_cell_angle_beta                 91.488(2)
_cell_angle_gamma                105.979(2)
_cell_volume                     5994.7(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9138
_cell_measurement_theta_min      2.2985
_cell_measurement_theta_max      21.023

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.221
_exptl_crystal_F_000             3888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.326
_shelx_estimated_absorpt_T_min   0.926
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7125
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            191512
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.000
_diffrn_reflns_theta_max         26.097
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             23800
_reflns_number_gt                21619
_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       'APEX2 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0843P)²+6.4548P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         23800
_refine_ls_number_parameters     3067
_refine_ls_number_restraints     99786
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.1336
_refine_ls_wR_factor_gt          0.1290
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      2.288
_refine_ls_shift/su_max          0.080
_refine_ls_shift/su_mean         0.001

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
O1_25 O 0.38028(14) 0.61350(14) 0.85109(11) 0.0143(5) Uani 1 1 d D U . . .
C1_25 C 0.41914(19) 0.67388(19) 0.89301(16) 0.0148(7) Uani 1 1 d D U . . .
C2_25 C 0.5099(2) 0.6870(2) 0.88428(18) 0.0207(8) Uani 1 1 d D U . . .
F1_25 F 0.53480(15) 0.62890(16) 0.91065(14) 0.0354(6) Uani 1 1 d D U . . .
F2_25 F 0.55368(14) 0.75565(15) 0.91233(13) 0.0348(6) Uani 1 1 d D U . . .
F3_25 F 0.52775(14) 0.68753(16) 0.82091(12) 0.0309(6) Uani 1 1 d D U . . .
C3_25 C 0.3959(2) 0.75086(19) 0.87595(18) 0.0208(7) Uani 1 1 d D U . . .
F4_25 F 0.31903(14) 0.73609(14) 0.86623(15) 0.0357(6) Uani 1 1 d D U . . .
F5_25 F 0.43161(16) 0.78197(14) 0.82133(12) 0.0320(6) Uani 1 1 d D U . . .
F6_25 F 0.41887(17) 0.80750(14) 0.92341(13) 0.0366(6) Uani 1 1 d D U . . .
C4_25 C 0.3997(2) 0.6551(2) 0.96550(17) 0.0212(7) Uani 1 1 d D U . . .
F7_25 F 0.32810(15) 0.66193(17) 0.97917(12) 0.0349(6) Uani 1 1 d D U . . .
F8_25 F 0.45075(17) 0.70141(16) 1.00876(12) 0.0408(7) Uani 1 1 d D U . . .
F9_25 F 0.39862(18) 0.58011(15) 0.97614(12) 0.0368(6) Uani 1 1 d D U . . .
O1_24 O 0.23728(16) -0.03459(15) 0.74388(11) 0.0194(5) Uani 1 1 d D U . . .
C1_24 C 0.2131(2) -0.0455(2) 0.80625(16) 0.0183(7) Uani 1 1 d D U . . .
C2_24 C 0.1614(2) 0.0110(2) 0.82549(19) 0.0268(8) Uani 1 1 d D U . . .
F1_24 F 0.20908(18) 0.08557(14) 0.83595(14) 0.0429(7) Uani 1 1 d D U . . .
F2_24 F 0.12173(16) -0.00924(16) 0.87985(12) 0.0361(6) Uani 1 1 d D U . . .
F3_24 F 0.11003(15) 0.01177(17) 0.77704(12) 0.0388(6) Uani 1 1 d D U . . .
C3_24 C 0.1635(3) -0.1328(2) 0.81600(19) 0.0322(10) Uani 1 1 d D U . . .
F4_24 F 0.1935(2) -0.18328(15) 0.78271(14) 0.0459(8) Uani 1 1 d D U . . .
F5_24 F 0.08824(17) -0.14403(16) 0.79312(14) 0.0452(7) Uani 1 1 d D U . . .
F6_24 F 0.1604(2) -0.15039(16) 0.87912(12) 0.0501(8) Uani 1 1 d D U . . .
C4_24 C 0.2887(3) -0.0266(3) 0.8517(2) 0.0352(10) Uani 1 1 d D U . . .
F7_24 F 0.3205(2) -0.0880(2) 0.85142(14) 0.0526(8) Uani 1 1 d D U . . .
F8_24 F 0.27498(18) -0.00970(19) 0.91349(12) 0.0445(7) Uani 1 1 d D U . . .
F9_24 F 0.34361(16) 0.03507(19) 0.83087(13) 0.0465(7) Uani 1 1 d D U . . .
O1_23 O 0.22204(15) -0.04230(16) 0.24423(11) 0.0195(5) Uani 1 1 d D U . . .
C1_23 C 0.2030(2) -0.0273(2) 0.30618(16) 0.0183(7) Uani 1 1 d D U . . .
C2_23 C 0.2560(2) -0.0587(3) 0.35411(19) 0.0308(9) Uani 1 1 d D U . . .
F1_23 F 0.26063(18) -0.12940(18) 0.33344(14) 0.0452(7) Uani 1 1 d D U . . .
F2_23 F 0.22829(18) -0.0642(2) 0.41462(12) 0.0507(8) Uani 1 1 d D U . . .
F3_23 F 0.32982(15) -0.01044(18) 0.35763(12) 0.0397(6) Uani 1 1 d D U . . .
C3_23 C 0.2186(2) 0.0644(2) 0.31971(19) 0.0301(9) Uani 1 1 d D U . . .
F4_23 F 0.16123(16) 0.09077(16) 0.29420(13) 0.0370(6) Uani 1 1 d D U . . .
F5_23 F 0.28649(15) 0.10383(15) 0.29175(13) 0.0376(6) Uani 1 1 d D U . . .
F6_23 F 0.22705(18) 0.08537(18) 0.38338(12) 0.0435(7) Uani 1 1 d D U . . .
C4_23 C 0.1144(2) -0.0675(3) 0.31870(19) 0.0292(9) Uani 1 1 d D U . . .
F7_23 F 0.06779(14) -0.05675(18) 0.27005(13) 0.0374(6) Uani 1 1 d D U . . .
F8_23 F 0.09057(15) -0.04034(19) 0.37431(12) 0.0438(7) Uani 1 1 d D U . . .
F9_23 F 0.10135(17) -0.14582(17) 0.32288(16) 0.0481(7) Uani 1 1 d D U . . .
O1_21 O 0.28468(14) -0.05350(15) 0.12094(12) 0.0154(5) Uani 1 1 d D U . . .
C1_21 C 0.3621(2) -0.05151(19) 0.12039(16) 0.0143(7) Uani 1 1 d D U . . .
C2_21 C 0.3756(2) -0.1011(2) 0.05919(18) 0.0218(8) Uani 1 1 d D U . . .
F1_21 F 0.34860(18) -0.17845(14) 0.06825(13) 0.0386(6) Uani 1 1 d D U . . .
F2_21 F 0.45272(15) -0.08652(17) 0.04581(13) 0.0364(6) Uani 1 1 d D U . . .
F3_21 F 0.33814(15) -0.08487(17) 0.00685(11) 0.0341(6) Uani 1 1 d D U . . .
C3_21 C 0.4156(2) 0.0344(2) 0.1176(2) 0.0322(9) Uani 1 1 d D U . . .
F4_21 F 0.39073(16) 0.08245(14) 0.15874(15) 0.0409(7) Uani 1 1 d D U . . .
F5_21 F 0.41271(18) 0.06159(16) 0.05766(14) 0.0429(7) Uani 1 1 d D U . . .
F6_21 F 0.49170(15) 0.04023(17) 0.13367(16) 0.0469(8) Uani 1 1 d D U . . .
C4_21 C 0.3857(2) -0.0891(3) 0.18348(19) 0.0306(9) Uani 1 1 d D U . . .
F7_21 F 0.39823(16) -0.03663(18) 0.23493(12) 0.0394(6) Uani 1 1 d D U . . .
F8_21 F 0.45292(18) -0.1111(2) 0.17650(14) 0.0494(8) Uani 1 1 d D U . . .
F9_21 F 0.32830(17) -0.15223(15) 0.19927(13) 0.0383(6) Uani 1 1 d D U . . .
Al1 Al 0.28312(6) 0.54993(6) 0.33652(5) 0.00989(19) Uani 1 1 d D . . . .
Al2 Al 0.29580(6) 0.53530(6) 0.83741(5) 0.00813(18) Uani 1 1 d D . . . .
Al3 Al 0.21184(6) -0.04458(6) 0.66149(5) 0.00926(19) Uani 1 1 d D . . . .
Al4 Al 0.20606(6) -0.03341(6) 0.16147(5) 0.00871(19) Uani 1 1 d D . . . .
H1 H 0.5635(5) -0.1978(10) 0.1565(6) 0.025 Uiso 1 1 d D U . . .
H2 H 0.4374(5) 0.1837(5) 0.3402(5) 0.025 Uiso 1 1 d D U . . .
H3 H 0.0798(6) 0.3192(4) 0.6103(5) 0.025 Uiso 1 1 d D U . . .
H4 H 0.0777(4) 0.3248(3) 0.1153(5) 0.025 Uiso 1 1 d D U . . .
N1 N 0.0547(3) 0.2937(2) 0.6834(2) 0.0473(11) Uani 1 1 d . . . . .
H1A H 0.0988 0.3048 0.7104 0.057 Uiso 1 1 calc DR U . . .
H1B H 0.0300 0.2407 0.6832 0.057 Uiso 1 1 calc DR U . . .
H1C H 0.0209 0.3212 0.6981 0.057 Uiso 1 1 calc DR U . . .
N2 N 0.0878(2) 0.3386(2) 0.5598(2) 0.0330(8) Uani 1 1 d D . . . .
H2A H 0.0798 0.3876 0.5570 0.040 Uiso 1 1 calc DR U . . .
H2B H 0.0521 0.3034 0.5325 0.040 Uiso 1 1 calc DR U . . .
H2C H 0.1381 0.3408 0.5478 0.040 Uiso 1 1 calc DR U . . .
N3 N 0.0468(2) 0.3054(2) 0.1871(2) 0.0448(10) Uani 1 1 d . . . . .
H3A H 0.0104 0.3323 0.1963 0.054 Uiso 1 1 calc DR U . . .
H3B H 0.0885 0.3205 0.2167 0.054 Uiso 1 1 calc DR U . . .
H3C H 0.0237 0.2522 0.1894 0.054 Uiso 1 1 calc DR U . . .
N4 N 0.0992(2) 0.3383(2) 0.06539(19) 0.0313(8) Uani 1 1 d D . . . .
H4A H 0.0594 0.3468 0.0395 0.038 Uiso 1 1 calc DR U . . .
H4B H 0.1146 0.2965 0.0483 0.038 Uiso 1 1 calc DR U . . .
H4C H 0.1413 0.3826 0.0672 0.038 Uiso 1 1 calc DR U . . .
N5 N 0.5649(3) -0.1969(2) 0.2106(2) 0.0394(9) Uani 1 1 d D . . . .
H5A H 0.5709 -0.2438 0.2247 0.047 Uiso 1 1 calc DR U . . .
H5B H 0.5185 -0.1899 0.2253 0.047 Uiso 1 1 calc DR U . . .
H5C H 0.6063 -0.1563 0.2265 0.047 Uiso 1 1 calc DR U . . .
N6 N 0.5807(2) -0.1712(2) 0.08094(19) 0.0332(8) Uani 1 1 d . . . . .
H6A H 0.5464 -0.1434 0.0679 0.040 Uiso 1 1 calc DR U . . .
H6B H 0.5737 -0.2153 0.0542 0.040 Uiso 1 1 calc DR U . . .
H6C H 0.6316 -0.1401 0.0786 0.040 Uiso 1 1 calc DR U . . .
N8 N 0.4169(2) 0.1651(2) 0.41423(19) 0.0354(9) Uani 1 1 d . . . . .
H8A H 0.4609 0.1600 0.4365 0.043 Uiso 1 1 calc DR U . . .
H8B H 0.3772 0.1190 0.4158 0.043 Uiso 1 1 calc DR U . . .
H8C H 0.4008 0.2056 0.4330 0.043 Uiso 1 1 calc DR U . . .
N7 N 0.4511(2) 0.1881(2) 0.28797(19) 0.0341(8) Uani 1 1 d D . . . .
H7A H 0.4107 0.2086 0.2639 0.041 Uiso 1 1 calc DR U . . .
H7B H 0.4500 0.1344 0.2693 0.041 Uiso 1 1 calc DR U . . .
H7C H 0.5052 0.2254 0.2831 0.041 Uiso 1 1 calc DR U . . .
O1_1 O 0.1309(3) -0.1283(4) 0.6520(3) 0.0103(11) Uani 0.703(5) 1 d D U P A 1
C1_1 C 0.0703(4) -0.1680(4) 0.6104(3) 0.0163(14) Uani 0.703(5) 1 d D U P A 1
C2_1 C -0.0068(4) -0.1523(4) 0.6351(3) 0.0281(15) Uani 0.703(5) 1 d D U P A 1
F1_1 F -0.0675(5) -0.1724(4) 0.5900(5) 0.0336(17) Uani 0.703(5) 1 d D U P A 1
F2_1 F -0.0312(2) -0.1910(3) 0.68860(19) 0.0401(10) Uani 0.703(5) 1 d D U P A 1
F3_1 F 0.0062(2) -0.0755(2) 0.6501(2) 0.0409(11) Uani 0.703(5) 1 d D U P A 1
C3_1 C 0.0828(4) -0.1426(4) 0.5389(3) 0.0293(15) Uani 0.703(5) 1 d D U P A 1
F4_1 F 0.0664(3) -0.0742(2) 0.52937(18) 0.0427(12) Uani 0.703(5) 1 d D U P A 1
F5_1 F 0.1564(2) -0.1355(4) 0.52087(18) 0.0542(16) Uani 0.703(5) 1 d D U P A 1
F6_1 F 0.0348(6) -0.1951(6) 0.4949(6) 0.0354(13) Uani 0.703(5) 1 d D U P A 1
C4_1 C 0.0643(4) -0.2583(4) 0.6133(3) 0.0261(16) Uani 0.703(5) 1 d D U P A 1
F7_1 F 0.1208(2) -0.2772(2) 0.5800(3) 0.0436(11) Uani 0.703(5) 1 d D U P A 1
F8_1 F 0.0687(3) -0.2804(2) 0.67476(19) 0.0354(10) Uani 0.703(5) 1 d D U P A 1
F9_1 F -0.0064(4) -0.3025(5) 0.5871(4) 0.0330(17) Uani 0.703(5) 1 d D U P A 1
O1_2 O 0.1407(9) -0.1301(10) 0.6390(8) 0.0103(11) Uani 0.297(5) 1 d D U P A 2
C1_2 C 0.0747(8) -0.1700(7) 0.6039(6) 0.013(3) Uani 0.297(5) 1 d D U P A 2
C2_2 C 0.0007(7) -0.1406(7) 0.6158(6) 0.028(3) Uani 0.297(5) 1 d D U P A 2
F1_2 F -0.0124(5) -0.1281(7) 0.6784(5) 0.046(3) Uani 0.297(5) 1 d D U P A 2
F2_2 F -0.0641(11) -0.1925(9) 0.5875(11) 0.031(4) Uani 0.297(5) 1 d D U P A 2
F3_2 F 0.0077(5) -0.0703(4) 0.5889(5) 0.035(2) Uani 0.297(5) 1 d D U P A 2
C3_2 C 0.0971(7) -0.1588(6) 0.5310(6) 0.021(3) Uani 0.297(5) 1 d D U P A 2
F4_2 F 0.1317(6) -0.0833(4) 0.5215(4) 0.032(2) Uani 0.297(5) 1 d D U P A 2
F5_2 F 0.1474(5) -0.2002(5) 0.5160(4) 0.033(2) Uani 0.297(5) 1 d D U P A 2
F6_2 F 0.0342(13) -0.1850(15) 0.4899(14) 0.0354(13) Uani 0.297(5) 1 d D U P A 2
C4_2 C 0.0549(7) -0.2592(7) 0.6199(6) 0.025(3) Uani 0.297(5) 1 d D U P A 2
F7_2 F 0.1205(5) -0.2814(5) 0.6283(6) 0.041(3) Uani 0.297(5) 1 d D U P A 2
F8_2 F 0.0161(7) -0.2723(5) 0.6760(4) 0.042(2) Uani 0.297(5) 1 d D U P A 2
F9_2 F 0.0116(8) -0.3079(10) 0.5729(7) 0.020(3) Uani 0.297(5) 1 d D U P A 2
O1_4 O 0.1169(9) -0.0973(9) 0.1332(11) 0.0198(7) Uani 0.520(6) 1 d D U P B 2
C1_4 C 0.0765(6) -0.1680(6) 0.1049(5) 0.015(2) Uani 0.520(6) 1 d D U P B 2
C2_4 C 0.0904(5) -0.1666(6) 0.0298(4) 0.022(2) Uani 0.520(6) 1 d D U P B 2
F1_4 F 0.0540(4) -0.1187(3) 0.0009(3) 0.0440(16) Uani 0.520(6) 1 d D U P B 2
F2_4 F 0.0612(9) -0.2393(7) 0.0010(8) 0.043(3) Uani 0.520(6) 1 d D U P B 2
F3_4 F 0.1661(3) -0.1399(4) 0.0166(2) 0.0348(15) Uani 0.520(6) 1 d D U P B 2
C3_4 C 0.1029(5) -0.2380(6) 0.1335(4) 0.030(2) Uani 0.520(6) 1 d D U P B 2
F4_4 F 0.1118(5) -0.2280(3) 0.1985(3) 0.054(2) Uani 0.520(6) 1 d D U P B 2
F5_4 F 0.1729(3) -0.2392(3) 0.1109(4) 0.0440(16) Uani 0.520(6) 1 d D U P B 2
F6_4 F 0.0513(6) -0.3080(6) 0.1194(7) 0.045(3) Uani 0.520(6) 1 d D U P B 2
C4_4 C -0.0134(5) -0.1808(5) 0.1165(4) 0.026(2) Uani 0.520(6) 1 d D U P B 2
F7_4 F -0.0304(3) -0.2005(4) 0.1775(3) 0.0426(16) Uani 0.520(6) 1 d D U P B 2
F8_4 F -0.0609(12) -0.2361(7) 0.0753(8) 0.0367(19) Uani 0.520(6) 1 d D U P B 2
F9_4 F -0.0339(3) -0.1136(3) 0.1082(3) 0.0324(14) Uani 0.520(6) 1 d D U P B 2
O1_3 O 0.1180(9) -0.0961(10) 0.1314(12) 0.0198(7) Uani 0.480(6) 1 d D U P B 1
C1_3 C 0.0781(6) -0.1671(7) 0.1032(5) 0.017(2) Uani 0.480(6) 1 d D U P B 1
C2_3 C 0.1045(6) -0.1722(6) 0.0314(5) 0.033(3) Uani 0.480(6) 1 d D U P B 1
F1_3 F 0.1128(6) -0.1049(4) 0.0018(3) 0.059(2) Uani 0.480(6) 1 d D U P B 1
F2_3 F 0.1721(3) -0.1911(5) 0.0303(3) 0.0469(18) Uani 0.480(6) 1 d D U P B 1
F3_3 F 0.0536(9) -0.2283(8) -0.0070(8) 0.041(3) Uani 0.480(6) 1 d D U P B 1
C3_3 C 0.0909(6) -0.2377(7) 0.1415(5) 0.034(3) Uani 0.480(6) 1 d D U P B 1
F4_3 F 0.1676(4) -0.2222(4) 0.1601(4) 0.049(2) Uani 0.480(6) 1 d D U P B 1
F5_3 F 0.0718(7) -0.3053(7) 0.1054(7) 0.042(3) Uani 0.480(6) 1 d D U P B 1
F6_3 F 0.0487(5) -0.2479(4) 0.1961(3) 0.057(2) Uani 0.480(6) 1 d D U P B 1
C4_3 C -0.0117(6) -0.1704(6) 0.1019(5) 0.029(2) Uani 0.480(6) 1 d D U P B 1
F7_3 F -0.0332(3) -0.1498(4) 0.1596(3) 0.047(2) Uani 0.480(6) 1 d D U P B 1
F8_3 F -0.0577(13) -0.2442(7) 0.0863(9) 0.0367(19) Uani 0.480(6) 1 d D U P B 1
F9_3 F -0.0280(4) -0.1218(4) 0.0584(4) 0.052(2) Uani 0.480(6) 1 d D U P B 1
O1_5 O 0.2154(3) 0.5638(4) 0.8667(4) 0.0130(6) Uani 0.807(5) 1 d D U P C 1
C1_5 C 0.1389(3) 0.5421(3) 0.8847(2) 0.0130(10) Uani 0.807(5) 1 d D U P C 1
C2_5 C 0.1268(3) 0.4750(3) 0.9353(2) 0.0246(10) Uani 0.807(5) 1 d D U P C 1
F1_5 F 0.1203(3) 0.4057(2) 0.9064(2) 0.0274(9) Uani 0.807(5) 1 d D U P C 1
F2_5 F 0.1871(4) 0.4903(5) 0.9789(4) 0.0369(16) Uani 0.807(5) 1 d D U P C 1
F3_5 F 0.0599(3) 0.4664(3) 0.9687(3) 0.0417(12) Uani 0.807(5) 1 d D U P C 1
C3_5 C 0.1210(3) 0.6156(3) 0.9191(2) 0.0247(11) Uani 0.807(5) 1 d D U P C 1
F4_5 F 0.1541(3) 0.6315(3) 0.9781(2) 0.0404(10) Uani 0.807(5) 1 d D U P C 1
F5_5 F 0.1472(5) 0.6786(3) 0.8821(4) 0.0444(11) Uani 0.807(5) 1 d D U P C 1
F6_5 F 0.0424(2) 0.6059(2) 0.9251(2) 0.0344(9) Uani 0.807(5) 1 d D U P C 1
C4_5 C 0.0806(3) 0.5117(3) 0.8254(2) 0.0245(10) Uani 0.807(5) 1 d D U P C 1
F7_5 F 0.0076(2) 0.4737(3) 0.8439(3) 0.0362(11) Uani 0.807(5) 1 d D U P C 1
F8_5 F 0.0742(3) 0.5705(3) 0.78894(19) 0.0340(10) Uani 0.807(5) 1 d D U P C 1
F9_5 F 0.1075(6) 0.4607(5) 0.7879(3) 0.0394(8) Uani 0.807(5) 1 d D U P C 1
O1_6 O 0.2140(11) 0.5635(17) 0.8618(16) 0.0130(6) Uani 0.193(5) 1 d D U P C 2
C1_6 C 0.1387(9) 0.5437(8) 0.8826(7) 0.019(3) Uani 0.193(5) 1 d D U P C 2
C2_6 C 0.1403(8) 0.5395(9) 0.9585(6) 0.030(3) Uani 0.193(5) 1 d D U P C 2
F1_6 F 0.1937(15) 0.5022(17) 0.9777(14) 0.032(5) Uani 0.193(5) 1 d D U P C 2
F2_6 F 0.0708(8) 0.5004(11) 0.9820(8) 0.031(4) Uani 0.193(5) 1 d D U P C 2
F3_6 F 0.1641(13) 0.6108(9) 0.9882(10) 0.0404(10) Uani 0.193(5) 1 d D U P C 2
C3_6 C 0.0976(8) 0.6070(8) 0.8597(8) 0.033(3) Uani 0.193(5) 1 d D U P C 2
F4_6 F 0.0836(15) 0.6013(11) 0.7954(8) 0.047(5) Uani 0.193(5) 1 d D U P C 2
F5_6 F 0.1445(19) 0.6801(12) 0.8731(17) 0.0444(11) Uani 0.193(5) 1 d D U P C 2
F6_6 F 0.0298(9) 0.5987(12) 0.8908(11) 0.054(5) Uani 0.193(5) 1 d D U P C 2
C4_6 C 0.0912(9) 0.4616(8) 0.8521(8) 0.031(3) Uani 0.193(5) 1 d D U P C 2
F7_6 F 0.109(3) 0.456(2) 0.7889(10) 0.0394(8) Uani 0.193(5) 1 d D U P C 2
F8_6 F 0.0130(9) 0.4503(14) 0.8549(15) 0.048(6) Uani 0.193(5) 1 d D U P C 2
F9_6 F 0.1097(11) 0.4028(9) 0.8804(9) 0.034(4) Uani 0.193(5) 1 d D U P C 2
O1_7 O 0.18578(16) 0.55467(16) 0.34833(14) 0.0133(6) Uani 0.852(3) 1 d D U P D
1
C1_7 C 0.1350(2) 0.5755(3) 0.3893(2) 0.0137(7) Uani 0.852(3) 1 d D U P D 1
C2_7 C 0.1471(3) 0.6668(3) 0.3908(2) 0.0215(10) Uani 0.852(3) 1 d D U P D 1
F1_7 F 0.2099(3) 0.7043(3) 0.4285(2) 0.0307(11) Uani 0.852(3) 1 d D U P D 1
F2_7 F 0.1588(2) 0.69413(16) 0.33127(14) 0.0329(7) Uani 0.852(3) 1 d D U P D 1
F3_7 F 0.08369(16) 0.68695(16) 0.41345(16) 0.0291(7) Uani 0.852(3) 1 d D U P D
1
C3_7 C 0.0490(2) 0.5327(2) 0.3630(2) 0.0194(8) Uani 0.852(3) 1 d D U P D 1
F4_7 F 0.02939(17) 0.56784(18) 0.31086(14) 0.0278(6) Uani 0.852(3) 1 d D U P D
1
F5_7 F -0.00593(16) 0.53288(18) 0.40825(15) 0.0334(7) Uani 0.852(3) 1 d D U P D
1
F6_7 F 0.04184(18) 0.45778(16) 0.34514(17) 0.0278(7) Uani 0.852(3) 1 d D U P D
1
C4_7 C 0.1462(3) 0.5492(3) 0.4607(2) 0.0249(9) Uani 0.852(3) 1 d D U P D 1
F7_7 F 0.10995(19) 0.58328(19) 0.50509(13) 0.0363(7) Uani 0.852(3) 1 d D U P D
1
F8_7 F 0.1161(2) 0.47052(17) 0.46426(14) 0.0374(8) Uani 0.852(3) 1 d D U P D 1
F9_7 F 0.22248(17) 0.56662(19) 0.47746(13) 0.0345(7) Uani 0.852(3) 1 d D U P D
1
O1_8 O 0.2033(7) 0.5457(9) 0.3816(8) 0.0133(6) Uani 0.148(3) 1 d D U P D 2
C1_8 C 0.1397(8) 0.5741(8) 0.3880(6) 0.0137(7) Uani 0.148(3) 1 d D U P D 2
C2_8 C 0.1650(9) 0.6663(8) 0.3868(8) 0.020(3) Uani 0.148(3) 1 d D U P D 2
F1_8 F 0.2018(17) 0.6958(18) 0.4434(9) 0.026(5) Uani 0.148(3) 1 d D U P D 2
F2_8 F 0.1037(8) 0.6956(9) 0.3760(9) 0.0291(7) Uani 0.148(3) 1 d D U P D 2
F3_8 F 0.2145(8) 0.6906(8) 0.3387(7) 0.022(3) Uani 0.148(3) 1 d D U P D 2
C3_8 C 0.0769(8) 0.5392(8) 0.3323(7) 0.024(3) Uani 0.148(3) 1 d D U P D 2
F4_8 F 0.0719(9) 0.4631(7) 0.3186(8) 0.021(3) Uani 0.148(3) 1 d D U P D 2
F5_8 F 0.0963(9) 0.5774(8) 0.2767(6) 0.030(3) Uani 0.148(3) 1 d D U P D 2
F6_8 F 0.0057(7) 0.5467(8) 0.3470(8) 0.020(3) Uani 0.148(3) 1 d D U P D 2
C4_8 C 0.1035(8) 0.5496(8) 0.4555(6) 0.024(3) Uani 0.148(3) 1 d D U P D 2
F7_8 F 0.0646(8) 0.4728(7) 0.4537(7) 0.019(3) Uani 0.148(3) 1 d D U P D 2
F8_8 F 0.0529(7) 0.5895(8) 0.4743(7) 0.023(3) Uani 0.148(3) 1 d D U P D 2
F9_8 F 0.1596(7) 0.5611(10) 0.5027(7) 0.029(3) Uani 0.148(3) 1 d D U P D 2
O1_9 O 0.28962(18) 0.53642(19) 0.25246(15) 0.0131(6) Uani 0.855(3) 1 d D U P D
1
C1_9 C 0.2715(2) 0.5566(2) 0.1925(2) 0.0137(7) Uani 0.855(3) 1 d D U P D 1
C2_9 C 0.1795(2) 0.5375(2) 0.18084(18) 0.0180(8) Uani 0.855(3) 1 d D U P D 1
F1_9 F 0.14291(15) 0.46977(17) 0.20767(13) 0.0277(6) Uani 0.855(3) 1 d D U P D
1
F2_9 F 0.15196(16) 0.59426(17) 0.20770(12) 0.0268(6) Uani 0.855(3) 1 d D U P D
1
F3_9 F 0.15783(16) 0.53053(18) 0.11686(12) 0.0289(6) Uani 0.855(3) 1 d D U P D
1
C3_9 C 0.3090(3) 0.6470(2) 0.1825(2) 0.0250(10) Uani 0.855(3) 1 d D U P D 1
F4_9 F 0.2974(3) 0.6888(2) 0.23570(16) 0.0303(8) Uani 0.855(3) 1 d D U P D 1
F5_9 F 0.2783(2) 0.67285(17) 0.13057(13) 0.0356(7) Uani 0.855(3) 1 d D U P D 1
F6_9 F 0.38764(18) 0.66295(17) 0.17452(16) 0.0354(7) Uani 0.855(3) 1 d D U P D
1
C4_9 C 0.3052(2) 0.5080(2) 0.14069(19) 0.0203(8) Uani 0.855(3) 1 d D U P D 1
F7_9 F 0.25940(18) 0.43285(15) 0.13529(13) 0.0256(6) Uani 0.855(3) 1 d D U P D
1
F8_9 F 0.30816(17) 0.53808(17) 0.08134(12) 0.0297(6) Uani 0.855(3) 1 d D U P D
1
F9_9 F 0.37762(17) 0.50549(18) 0.15861(15) 0.0286(6) Uani 0.855(3) 1 d D U P D
1
O1_10 O 0.2643(11) 0.5409(13) 0.2562(7) 0.0131(6) Uani 0.145(3) 1 d D U P D 2
C1_10 C 0.2894(7) 0.5543(8) 0.1942(7) 0.0137(7) Uani 0.145(3) 1 d D U P D 2
C2_10 C 0.2146(8) 0.5384(8) 0.1481(7) 0.028(3) Uani 0.145(3) 1 d D U P D 2
F1_10 F 0.1599(8) 0.4748(8) 0.1669(8) 0.0277(6) Uani 0.145(3) 1 d D U P D 2
F2_10 F 0.2289(10) 0.5237(13) 0.0862(6) 0.050(4) Uani 0.145(3) 1 d D U P D 2
F3_10 F 0.1832(11) 0.6000(10) 0.1520(8) 0.044(4) Uani 0.145(3) 1 d D U P D 2
C3_10 C 0.3412(9) 0.6415(8) 0.1881(8) 0.027(3) Uani 0.145(3) 1 d D U P D 2
F4_10 F 0.4139(7) 0.6498(9) 0.2134(7) 0.026(3) Uani 0.145(3) 1 d D U P D 2
F5_10 F 0.3091(17) 0.6910(15) 0.2208(12) 0.0303(8) Uani 0.145(3) 1 d D U P D 2
F6_10 F 0.3481(11) 0.6636(10) 0.1260(7) 0.040(4) Uani 0.145(3) 1 d D U P D 2
C4_10 C 0.3414(8) 0.4993(8) 0.1733(7) 0.016(2) Uani 0.145(3) 1 d D U P D 2
F7_10 F 0.3936(7) 0.4977(8) 0.2215(5) 0.016(2) Uani 0.145(3) 1 d D U P D 2
F8_10 F 0.3832(8) 0.5249(9) 0.1203(7) 0.023(3) Uani 0.145(3) 1 d D U P D 2
F9_10 F 0.2981(9) 0.4250(7) 0.1611(8) 0.025(3) Uani 0.145(3) 1 d D U P D 2
O1_11 O 0.1836(4) 0.0354(3) 0.6324(4) 0.0161(7) Uani 0.819(3) 1 d D U P A 1
C1_11 C 0.2060(3) 0.1093(3) 0.6099(2) 0.0147(8) Uani 0.819(3) 1 d D U P A 1
C2_11 C 0.1342(3) 0.1228(3) 0.5715(3) 0.0394(15) Uani 0.819(3) 1 d D U P A 1
F1_11 F 0.1248(3) 0.0864(2) 0.5130(2) 0.0600(12) Uani 0.819(3) 1 d D U P A 1
F2_11 F 0.0690(2) 0.0979(3) 0.6042(3) 0.0716(16) Uani 0.819(3) 1 d D U P A 1
F3_11 F 0.1431(2) 0.20087(19) 0.5621(2) 0.0406(10) Uani 0.819(3) 1 d D U P A 1
C3_11 C 0.2304(3) 0.1708(3) 0.6677(2) 0.0335(12) Uani 0.819(3) 1 d D U P A 1
F4_11 F 0.1674(3) 0.1743(2) 0.7028(2) 0.0615(13) Uani 0.819(3) 1 d D U P A 1
F5_11 F 0.2679(3) 0.24389(18) 0.64920(19) 0.0493(11) Uani 0.819(3) 1 d D U P A
1
F6_11 F 0.2806(3) 0.14905(19) 0.70933(17) 0.0506(10) Uani 0.819(3) 1 d D U P A
1
C4_11 C 0.2764(3) 0.1218(3) 0.5632(3) 0.0343(13) Uani 0.819(3) 1 d D U P A 1
F7_11 F 0.2674(3) 0.0608(2) 0.52087(15) 0.0481(10) Uani 0.819(3) 1 d D U P A 1
F8_11 F 0.34445(18) 0.12873(19) 0.5974(2) 0.0516(11) Uani 0.819(3) 1 d D U P A
1
F9_11 F 0.2865(3) 0.1867(2) 0.5281(2) 0.0586(12) Uani 0.819(3) 1 d D U P A 1
O1_12 O 0.1876(19) 0.0364(10) 0.6290(17) 0.0161(7) Uani 0.181(3) 1 d D U P A 2
C1_12 C 0.1944(8) 0.1132(9) 0.6186(7) 0.0147(8) Uani 0.181(3) 1 d D U P A 2
C2_12 C 0.1470(9) 0.1226(9) 0.5553(7) 0.034(3) Uani 0.181(3) 1 d D U P A 2
F1_12 F 0.1621(13) 0.0757(11) 0.5076(8) 0.0600(12) Uani 0.181(3) 1 d D U P A 2
F2_12 F 0.1672(10) 0.1970(8) 0.5342(9) 0.0406(10) Uani 0.181(3) 1 d D U P A 2
F3_12 F 0.0701(9) 0.1004(13) 0.5669(13) 0.0716(16) Uani 0.181(3) 1 d D U P A 2
C3_12 C 0.1617(10) 0.1517(11) 0.6779(7) 0.061(5) Uani 0.181(3) 1 d D U P A 2
F4_12 F 0.2120(12) 0.1574(12) 0.7281(8) 0.071(5) Uani 0.181(3) 1 d D U P A 2
F5_12 F 0.0899(10) 0.1084(13) 0.6909(9) 0.083(6) Uani 0.181(3) 1 d D U P A 2
F6_12 F 0.1522(15) 0.2214(10) 0.6621(9) 0.090(6) Uani 0.181(3) 1 d D U P A 2
C4_12 C 0.2822(8) 0.1617(8) 0.6132(7) 0.031(3) Uani 0.181(3) 1 d D U P A 2
F7_12 F 0.3288(10) 0.1420(8) 0.6584(7) 0.0506(10) Uani 0.181(3) 1 d D U P A 2
F8_12 F 0.2883(12) 0.2390(7) 0.6174(8) 0.0493(11) Uani 0.181(3) 1 d D U P A 2
F9_12 F 0.3083(10) 0.1432(13) 0.5566(7) 0.058(5) Uani 0.181(3) 1 d D U P A 2
O1_13 O 0.34715(18) 0.6375(2) 0.36717(16) 0.0130(7) Uani 0.841(4) 1 d D U P D 1
C1_13 C 0.4204(3) 0.6768(3) 0.3914(2) 0.0185(8) Uani 0.841(4) 1 d D U P D 1
C2_13 C 0.4258(3) 0.6625(3) 0.4664(2) 0.0307(12) Uani 0.841(4) 1 d D U P D 1
F1_13 F 0.3963(3) 0.5859(2) 0.4780(2) 0.0342(10) Uani 0.841(4) 1 d D U P D 1
F2_13 F 0.3839(2) 0.70183(18) 0.50005(13) 0.0381(8) Uani 0.841(4) 1 d D U P D 1
F3_13 F 0.5016(2) 0.6862(2) 0.48988(18) 0.0466(9) Uani 0.841(4) 1 d D U P D 1
C3_13 C 0.4320(3) 0.7671(3) 0.3824(3) 0.0220(11) Uani 0.841(4) 1 d D U P D 1
F4_13 F 0.3685(2) 0.7887(2) 0.3967(2) 0.0301(9) Uani 0.841(4) 1 d D U P D 1
F5_13 F 0.4925(3) 0.8127(3) 0.4185(4) 0.0349(13) Uani 0.841(4) 1 d D U P D 1
F6_13 F 0.4473(5) 0.7839(4) 0.3187(3) 0.0391(14) Uani 0.841(4) 1 d D U P D 1
C4_13 C 0.4859(3) 0.6498(3) 0.3555(3) 0.0309(11) Uani 0.841(4) 1 d D U P D 1
F7_13 F 0.55807(18) 0.7017(2) 0.3641(2) 0.0484(10) Uani 0.841(4) 1 d D U P D 1
F8_13 F 0.47027(19) 0.64152(19) 0.29078(15) 0.0390(8) Uani 0.841(4) 1 d D U P D
1
F9_13 F 0.4922(5) 0.5803(3) 0.3766(4) 0.0439(17) Uani 0.841(4) 1 d D U P D 1
O1_14 O 0.3663(10) 0.6303(12) 0.3538(9) 0.0130(7) Uani 0.159(4) 1 d D U P D 2
C1_14 C 0.4271(9) 0.6696(10) 0.3953(7) 0.0185(8) Uani 0.159(4) 1 d D U P D 2
C2_14 C 0.4111(9) 0.6450(11) 0.4675(7) 0.031(4) Uani 0.159(4) 1 d D U P D 2
F1_14 F 0.3375(8) 0.6418(13) 0.4842(8) 0.052(5) Uani 0.159(4) 1 d D U P D 2
F2_14 F 0.4579(11) 0.6969(10) 0.5113(9) 0.0466(9) Uani 0.159(4) 1 d D U P D 2
F3_14 F 0.4247(11) 0.5756(10) 0.4791(10) 0.031(4) Uani 0.159(4) 1 d D U P D 2
C3_14 C 0.5054(9) 0.6515(10) 0.3746(8) 0.034(4) Uani 0.159(4) 1 d D U P D 2
F4_14 F 0.5328(12) 0.6878(12) 0.3203(9) 0.056(5) Uani 0.159(4) 1 d D U P D 2
F5_14 F 0.4909(19) 0.5735(10) 0.3633(14) 0.020(4) Uani 0.159(4) 1 d D U P D 2
F6_14 F 0.5647(8) 0.6759(11) 0.4195(9) 0.0484(10) Uani 0.159(4) 1 d D U P D 2
C4_14 C 0.4378(13) 0.7604(10) 0.3917(11) 0.029(4) Uani 0.159(4) 1 d D U P D 2
F7_14 F 0.437(2) 0.7867(19) 0.3311(11) 0.028(5) Uani 0.159(4) 1 d D U P D 2
F8_14 F 0.5054(14) 0.8001(17) 0.4228(19) 0.031(6) Uani 0.159(4) 1 d D U P D 2
F9_14 F 0.3789(13) 0.7790(14) 0.4222(11) 0.039(5) Uani 0.159(4) 1 d D U P D 2
O1_15 O 0.3015(2) 0.4711(2) 0.37383(19) 0.0164(8) Uani 0.862(3) 1 d D U P D 1
C1_15 C 0.3042(2) 0.3946(2) 0.3692(2) 0.0160(8) Uani 0.862(3) 1 d D U P D 1
C2_15 C 0.2189(3) 0.3380(2) 0.3712(2) 0.0257(9) Uani 0.862(3) 1 d D U P D 1
F1_15 F 0.1916(2) 0.33655(19) 0.43184(16) 0.0406(8) Uani 0.862(3) 1 d D U P D 1
F2_15 F 0.16914(16) 0.36096(17) 0.33234(16) 0.0352(7) Uani 0.862(3) 1 d D U P D
1
F3_15 F 0.2152(3) 0.26347(19) 0.3527(3) 0.0415(11) Uani 0.862(3) 1 d D U P D 1
C3_15 C 0.3434(3) 0.3778(3) 0.3047(2) 0.0243(9) Uani 0.862(3) 1 d D U P D 1
F4_15 F 0.29140(18) 0.36398(16) 0.25396(13) 0.0309(6) Uani 0.862(3) 1 d D U P D
1
F5_15 F 0.3699(2) 0.31266(19) 0.30909(16) 0.0402(8) Uani 0.862(3) 1 d D U P D 1
F6_15 F 0.40378(15) 0.43806(17) 0.29056(14) 0.0306(6) Uani 0.862(3) 1 d D U P D
1
C4_15 C 0.3562(3) 0.3825(3) 0.4287(2) 0.0275(10) Uani 0.862(3) 1 d D U P D 1
F7_15 F 0.43258(17) 0.4148(2) 0.41931(17) 0.0382(7) Uani 0.862(3) 1 d D U P D 1
F8_15 F 0.3369(2) 0.4127(2) 0.48371(14) 0.0387(8) Uani 0.862(3) 1 d D U P D 1
F9_15 F 0.3461(3) 0.3042(2) 0.43855(18) 0.0420(9) Uani 0.862(3) 1 d D U P D 1
O1_16 O 0.3144(17) 0.4633(11) 0.3632(13) 0.0164(8) Uani 0.138(3) 1 d D U P D 2
C1_16 C 0.2952(8) 0.3873(10) 0.3820(7) 0.0160(8) Uani 0.138(3) 1 d D U P D 2
C2_16 C 0.2247(9) 0.3715(10) 0.4293(8) 0.036(4) Uani 0.138(3) 1 d D U P D 2
F1_16 F 0.2331(11) 0.4299(10) 0.4739(8) 0.047(4) Uani 0.138(3) 1 d D U P D 2
F2_16 F 0.2189(11) 0.3060(10) 0.4623(10) 0.050(5) Uani 0.138(3) 1 d D U P D 2
F3_16 F 0.1567(8) 0.3635(11) 0.3957(10) 0.045(4) Uani 0.138(3) 1 d D U P D 2
C3_16 C 0.2716(10) 0.3298(10) 0.3206(7) 0.035(3) Uani 0.138(3) 1 d D U P D 2
F4_16 F 0.3368(11) 0.3260(14) 0.2894(11) 0.049(5) Uani 0.138(3) 1 d D U P D 2
F5_16 F 0.2248(10) 0.3562(9) 0.2793(7) 0.0309(6) Uani 0.138(3) 1 d D U P D 2
F6_16 F 0.2345(15) 0.2568(10) 0.3378(13) 0.039(6) Uani 0.138(3) 1 d D U P D 2
C4_16 C 0.3678(9) 0.3700(11) 0.4183(8) 0.031(3) Uani 0.138(3) 1 d D U P D 2
F7_16 F 0.4323(9) 0.3992(12) 0.3844(10) 0.0382(7) Uani 0.138(3) 1 d D U P D 2
F8_16 F 0.3560(17) 0.2915(10) 0.4195(12) 0.0420(9) Uani 0.138(3) 1 d D U P D 2
F9_16 F 0.3764(13) 0.3987(13) 0.4796(8) 0.045(4) Uani 0.138(3) 1 d D U P D 2
O1_17 O 0.29547(17) -0.0487(2) 0.61943(14) 0.0136(7) Uani 0.879(4) 1 d D U P A
1
C1_17 C 0.3593(2) -0.0780(3) 0.6178(2) 0.0156(7) Uani 0.879(4) 1 d D U P A 1
C2_17 C 0.3979(3) -0.0589(3) 0.5504(2) 0.0271(10) Uani 0.879(4) 1 d D U P A 1
F1_17 F 0.3431(2) -0.0738(2) 0.50219(15) 0.0359(8) Uani 0.879(4) 1 d D U P A 1
F2_17 F 0.43723(19) 0.01751(17) 0.54957(17) 0.0400(8) Uani 0.879(4) 1 d D U P A
1
F3_17 F 0.4493(3) -0.1004(3) 0.5359(3) 0.0354(11) Uani 0.879(4) 1 d D U P A 1
C3_17 C 0.4222(3) -0.0409(3) 0.6731(2) 0.0265(10) Uani 0.879(4) 1 d D U P A 1
F4_17 F 0.4284(2) 0.03700(18) 0.68269(17) 0.0337(8) Uani 0.879(4) 1 d D U P A 1
F5_17 F 0.4943(3) -0.0472(3) 0.6593(3) 0.0369(7) Uani 0.879(4) 1 d D U P A 1
F6_17 F 0.40347(18) -0.07532(19) 0.73016(13) 0.0359(7) Uani 0.879(4) 1 d D U P
A 1
C4_17 C 0.3339(2) -0.1702(2) 0.6242(2) 0.0216(9) Uani 0.879(4) 1 d D U P A 1
F7_17 F 0.3956(3) -0.1990(4) 0.6354(3) 0.0319(7) Uani 0.879(4) 1 d D U P A 1
F8_17 F 0.2838(2) -0.1903(2) 0.67365(18) 0.0326(8) Uani 0.879(4) 1 d D U P A 1
F9_17 F 0.29640(17) -0.20598(17) 0.56947(14) 0.0314(7) Uani 0.879(4) 1 d D U P
A 1
O1_18 O 0.3048(11) -0.0470(16) 0.6370(12) 0.0136(7) Uani 0.121(4) 1 d D U P A 2
C1_18 C 0.3633(10) -0.0797(10) 0.6202(7) 0.0156(7) Uani 0.121(4) 1 d D U P A 2
C2_18 C 0.3673(10) -0.0997(11) 0.5463(7) 0.028(4) Uani 0.121(4) 1 d D U P A 2
F1_18 F 0.3101(10) -0.1634(10) 0.5264(11) 0.040(5) Uani 0.121(4) 1 d D U P A 2
F2_18 F 0.4366(13) -0.114(2) 0.5339(19) 0.032(7) Uani 0.121(4) 1 d D U P A 2
F3_18 F 0.3639(16) -0.0387(12) 0.5093(11) 0.041(6) Uani 0.121(4) 1 d D U P A 2
C3_18 C 0.4424(10) -0.0186(10) 0.6442(9) 0.027(3) Uani 0.121(4) 1 d D U P A 2
F4_18 F 0.4287(18) 0.0172(15) 0.6997(9) 0.0337(8) Uani 0.121(4) 1 d D U P A 2
F5_18 F 0.4639(11) 0.0378(11) 0.6005(10) 0.036(4) Uani 0.121(4) 1 d D U P A 2
F6_18 F 0.5004(19) -0.052(2) 0.656(2) 0.0369(7) Uani 0.121(4) 1 d D U P A 2
C4_18 C 0.3494(11) -0.1579(10) 0.6586(9) 0.031(4) Uani 0.121(4) 1 d D U P A 2
F7_18 F 0.3605(12) -0.1381(12) 0.7224(8) 0.037(4) Uani 0.121(4) 1 d D U P A 2
F8_18 F 0.396(2) -0.202(2) 0.641(2) 0.0319(7) Uani 0.121(4) 1 d D U P A 2
F9_18 F 0.2737(12) -0.1987(15) 0.6485(13) 0.031(6) Uani 0.121(4) 1 d D U P A 2
O1_19 O 0.29860(15) 0.45198(14) 0.87883(13) 0.0163(5) Uani 1 1 d D U . . .
C1_19 C 0.32729(19) 0.38846(19) 0.88421(16) 0.0144(7) Uani 1 1 d D U . . .
C2_19 C 0.3062(2) 0.3535(2) 0.95222(18) 0.0246(8) Uani 1 1 d D U . . .
F1_19 F 0.32151(18) 0.40904(15) 0.99913(12) 0.0363(6) Uani 1 1 d D U . . .
F2_19 F 0.22857(15) 0.31534(16) 0.95307(14) 0.0354(6) Uani 1 1 d D U . . .
F3_19 F 0.34667(16) 0.30035(15) 0.96728(13) 0.0337(6) Uani 1 1 d D U . . .
C3_19 C 0.2892(2) 0.3245(2) 0.82955(19) 0.0260(8) Uani 1 1 d D U . . .
F4_19 F 0.29411(16) 0.25247(14) 0.84334(14) 0.0349(6) Uani 1 1 d D U . . .
F5_19 F 0.32468(17) 0.34251(16) 0.77203(12) 0.0362(6) Uani 1 1 d D U . . .
F6_19 F 0.21269(14) 0.31967(16) 0.81981(14) 0.0364(6) Uani 1 1 d D U . . .
C4_19 C 0.4194(2) 0.4123(2) 0.87775(19) 0.0209(8) Uani 1 1 d D U . . .
F7_19 F 0.44709(14) 0.34887(14) 0.86517(14) 0.0343(6) Uani 1 1 d D U . . .
F8_19 F 0.44162(14) 0.46175(15) 0.82885(13) 0.0325(6) Uani 1 1 d D U . . .
F9_19 F 0.45669(14) 0.44915(15) 0.93167(13) 0.0313(6) Uani 1 1 d D U . . .
O1_20 O 0.28800(15) 0.50965(15) 0.75486(11) 0.0166(5) Uani 1 1 d D U . . .
C1_20 C 0.2982(2) 0.5343(2) 0.69272(16) 0.0163(7) Uani 1 1 d D U . . .
C2_20 C 0.2787(3) 0.4602(2) 0.64585(19) 0.0314(9) Uani 1 1 d D U . . .
F1_20 F 0.21467(18) 0.40587(16) 0.66505(13) 0.0416(7) Uani 1 1 d D U . . .
F2_20 F 0.3376(2) 0.42646(19) 0.64483(14) 0.0499(8) Uani 1 1 d D U . . .
F3_20 F 0.2628(2) 0.47674(17) 0.58378(11) 0.0439(7) Uani 1 1 d D U . . .
C3_20 C 0.3859(2) 0.5828(3) 0.68251(19) 0.0319(9) Uani 1 1 d D U . . .
F4_20 F 0.40337(17) 0.5878(2) 0.61941(13) 0.0556(9) Uani 1 1 d D U . . .
F5_20 F 0.39923(16) 0.65790(16) 0.70742(13) 0.0426(7) Uani 1 1 d D U . . .
F6_20 F 0.43580(15) 0.55195(19) 0.71379(14) 0.0430(7) Uani 1 1 d D U . . .
C4_20 C 0.2417(2) 0.5866(2) 0.67554(18) 0.0262(8) Uani 1 1 d D U . . .
F7_20 F 0.26195(17) 0.62749(16) 0.62264(12) 0.0365(6) Uani 1 1 d D U . . .
F8_20 F 0.24054(18) 0.63688(15) 0.72588(12) 0.0370(6) Uani 1 1 d D U . . .
F9_20 F 0.16708(14) 0.54033(18) 0.66556(14) 0.0402(7) Uani 1 1 d D U . . .
O1_22 O 0.20357(15) 0.06372(14) 0.15241(13) 0.0192(5) Uani 1 1 d D U . . .
C1_22 C 0.18214(19) 0.1169(2) 0.11462(17) 0.0161(7) Uani 1 1 d D U . . .
C2_22 C 0.0905(2) 0.1014(2) 0.1130(2) 0.0245(8) Uani 1 1 d D U . . .
F1_22 F 0.06114(15) 0.08265(19) 0.17084(13) 0.0426(7) Uani 1 1 d D U . . .
F2_22 F 0.06928(15) 0.16657(15) 0.09527(17) 0.0451(7) Uani 1 1 d D U . . .
F3_22 F 0.05554(14) 0.04361(13) 0.06978(12) 0.0293(5) Uani 1 1 d D U . . .
C3_22 C 0.2228(2) 0.2008(2) 0.1467(2) 0.0285(9) Uani 1 1 d D U . . .
F4_22 F 0.29631(14) 0.20729(14) 0.16745(14) 0.0337(6) Uani 1 1 d D U . . .
F5_22 F 0.18311(16) 0.21509(15) 0.19876(15) 0.0409(6) Uani 1 1 d D U . . .
F6_22 F 0.22425(17) 0.25948(14) 0.10530(16) 0.0449(7) Uani 1 1 d D U . . .
C4_22 C 0.2128(2) 0.1141(2) 0.04422(19) 0.0293(8) Uani 1 1 d D U . . .
F7_22 F 0.17871(17) 0.15109(17) 0.00161(13) 0.0430(7) Uani 1 1 d D U . . .
F8_22 F 0.19795(16) 0.03840(15) 0.02280(12) 0.0353(6) Uani 1 1 d D U . . .
F9_22 F 0.29124(15) 0.14603(18) 0.04317(13) 0.0407(6) Uani 1 1 d D U . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_25 C1_25 1.354(4) . ?
O1_25 Al2 1.726(2) . ?
C1_25 C4_25 1.548(4) . ?
C1_25 C2_25 1.556(5) . ?
C1_25 C3_25 1.557(4) . ?
C2_25 F1_25 1.333(4) . ?
C2_25 F3_25 1.336(4) . ?
C2_25 F2_25 1.338(4) . ?
C3_25 F4_25 1.306(4) . ?
C3_25 F6_25 1.337(4) . ?
C3_25 F5_25 1.345(4) . ?
C4_25 F8_25 1.324(4) . ?
C4_25 F7_25 1.327(4) . ?
C4_25 F9_25 1.331(4) . ?
O1_24 C1_24 1.352(4) . ?
O1_24 Al3 1.717(2) . ?
C1_24 C4_24 1.548(5) . ?
C1_24 C3_24 1.557(5) . ?
C1_24 C2_24 1.562(5) . ?
C2_24 F3_24 1.321(5) . ?
C2_24 F2_24 1.327(4) . ?
C2_24 F1_24 1.349(4) . ?
C3_24 F4_24 1.327(5) . ?
C3_24 F6_24 1.330(5) . ?
C3_24 F5_24 1.345(5) . ?
C4_24 F9_24 1.321(5) . ?
C4_24 F8_24 1.328(5) . ?
C4_24 F7_24 1.340(5) . ?
O1_23 C1_23 1.351(4) . ?
O1_23 Al4 1.720(2) . ?
C1_23 C2_23 1.542(5) . ?
C1_23 C4_23 1.547(5) . ?
C1_23 C3_23 1.569(5) . ?
C2_23 F1_23 1.320(5) . ?
C2_23 F2_23 1.333(5) . ?
C2_23 F3_23 1.334(5) . ?
C3_23 F4_23 1.316(5) . ?
C3_23 F6_23 1.332(4) . ?
C3_23 F5_23 1.347(4) . ?
C4_23 F7_23 1.318(5) . ?
C4_23 F9_23 1.332(5) . ?
C4_23 F8_23 1.338(5) . ?
O1_21 C1_21 1.345(4) . ?
O1_21 Al4 1.734(3) . ?
C1_21 C3_21 1.541(5) . ?
C1_21 C4_21 1.557(5) . ?
C1_21 C2_21 1.560(4) . ?
C2_21 F3_21 1.315(4) . ?
C2_21 F1_21 1.326(4) . ?
C2_21 F2_21 1.339(4) . ?
C3_21 F5_21 1.328(5) . ?
C3_21 F4_21 1.334(5) . ?
C3_21 F6_21 1.338(5) . ?
C4_21 F9_21 1.326(5) . ?
C4_21 F8_21 1.345(5) . ?
C4_21 F7_21 1.347(5) . ?
Al1 O1_10 1.655(16) . ?
Al1 O1_8 1.678(11) . ?
Al1 O1_15 1.696(4) . ?
Al1 O1_13 1.721(3) . ?
Al1 O1_9 1.734(3) . ?
Al1 O1_14 1.744(17) . ?
Al1 O1_7 1.750(3) . ?
Al1 O1_16 1.84(2) . ?
Al2 O1_19 1.717(2) . ?
Al2 O1_6 1.718(14) . ?
Al2 O1_20 1.721(2) . ?
Al2 O1_5 1.732(4) . ?
Al3 O1_2 1.705(12) . ?
Al3 O1_11 1.723(4) . ?
Al3 O1_18 1.725(15) . ?
Al3 O1_12 1.731(14) . ?
Al3 O1_17 1.732(3) . ?
Al3 O1_1 1.738(5) . ?
Al4 O1_3 1.714(10) . ?
Al4 O1_4 1.723(9) . ?
Al4 O1_22 1.728(3) . ?
N1 H3 1.604(12) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N2 H3 1.094(10) . ?
N2 H3 1.094(10) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
N3 N4 2.688(6) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
N4 H4 1.102(10) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 H4C 0.9100 . ?
N5 H1 1.101(10) . ?
N5 H1 1.101(10) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N5 H5C 0.9100 . ?
N6 H1 1.633(12) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N6 H6C 0.9100 . ?
N8 H2 1.581(12) . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
N8 H8C 0.9100 . ?
N7 H2 1.098(10) . ?
N7 H2 1.098(10) . ?
N7 H7A 1.0001 . ?
N7 H7B 1.0001 . ?
N7 H7C 1.0001 . ?
O1_1 C1_1 1.356(7) . ?
C1_1 C3_1 1.540(7) . ?
C1_1 C2_1 1.543(7) . ?
C1_1 C4_1 1.558(7) . ?
C2_1 F2_1 1.318(7) . ?
C2_1 F3_1 1.326(7) . ?
C2_1 F1_1 1.350(7) . ?
C3_1 F5_1 1.323(7) . ?
C3_1 F4_1 1.324(7) . ?
C3_1 F6_1 1.357(7) . ?
C4_1 F7_1 1.324(7) . ?
C4_1 F8_1 1.327(7) . ?
C4_1 F9_1 1.352(7) . ?
O1_2 C1_2 1.347(12) . ?
C1_2 C2_2 1.542(10) . ?
C1_2 C4_2 1.549(10) . ?
C1_2 C3_2 1.551(10) . ?
C2_2 F1_2 1.325(10) . ?
C2_2 F3_2 1.337(10) . ?
C2_2 F2_2 1.345(11) . ?
C3_2 F4_2 1.315(10) . ?
C3_2 F5_2 1.322(10) . ?
C3_2 F6_2 1.333(11) . ?
C4_2 F7_2 1.318(11) . ?
C4_2 F9_2 1.334(11) . ?
C4_2 F8_2 1.338(11) . ?
O1_4 C1_4 1.350(9) . ?
C1_4 C3_4 1.547(8) . ?
C1_4 C4_4 1.553(9) . ?
C1_4 C2_4 1.556(8) . ?
C2_4 F3_4 1.316(8) . ?
C2_4 F1_4 1.326(8) . ?
C2_4 F2_4 1.346(9) . ?
C3_4 F6_4 1.325(9) . ?
C3_4 F5_4 1.325(9) . ?
C3_4 F4_4 1.330(9) . ?
C4_4 F7_4 1.318(9) . ?
C4_4 F9_4 1.334(9) . ?
C4_4 F8_4 1.345(9) . ?
O1_3 C1_3 1.351(10) . ?
C1_3 C3_3 1.542(9) . ?
C1_3 C2_3 1.552(9) . ?
C1_3 C4_3 1.556(9) . ?
C2_3 F1_3 1.311(9) . ?
C2_3 F2_3 1.314(10) . ?
C2_3 F3_3 1.345(10) . ?
C3_3 F5_3 1.332(10) . ?
C3_3 F4_3 1.337(9) . ?
C3_3 F6_3 1.340(10) . ?
C4_3 F7_3 1.314(9) . ?
C4_3 F9_3 1.324(9) . ?
C4_3 F8_3 1.345(10) . ?
O1_5 C1_5 1.351(5) . ?
C1_5 C4_5 1.544(6) . ?
C1_5 C3_5 1.558(6) . ?
C1_5 C2_5 1.558(6) . ?
C2_5 F1_5 1.310(6) . ?
C2_5 F2_5 1.325(7) . ?
C2_5 F3_5 1.344(5) . ?
C3_5 F4_5 1.309(6) . ?
C3_5 F5_5 1.335(7) . ?
C3_5 F6_5 1.347(5) . ?
C4_5 F8_5 1.314(6) . ?
C4_5 F7_5 1.337(6) . ?
C4_5 F9_5 1.348(7) . ?
O1_6 C1_6 1.349(13) . ?
C1_6 C4_6 1.551(11) . ?
C1_6 C2_6 1.551(11) . ?
C1_6 C3_6 1.553(11) . ?
C2_6 F3_6 1.326(11) . ?
C2_6 F2_6 1.329(11) . ?
C2_6 F1_6 1.336(11) . ?
C3_6 F4_6 1.323(11) . ?
C3_6 F5_6 1.332(11) . ?
C3_6 F6_6 1.333(11) . ?
C4_6 F9_6 1.305(11) . ?
C4_6 F8_6 1.331(11) . ?
C4_6 F7_6 1.340(11) . ?
O1_7 C1_7 1.349(5) . ?
C1_7 C2_7 1.553(5) . ?
C1_7 C3_7 1.557(5) . ?
C1_7 C4_7 1.562(6) . ?
C2_7 F2_7 1.317(5) . ?
C2_7 F1_7 1.326(5) . ?
C2_7 F3_7 1.343(5) . ?
C3_7 F6_7 1.322(5) . ?
C3_7 F4_7 1.327(5) . ?
C3_7 F5_7 1.349(5) . ?
C4_7 F9_7 1.319(5) . ?
C4_7 F7_7 1.336(5) . ?
C4_7 F8_7 1.337(5) . ?
O1_8 C1_8 1.346(12) . ?
C1_8 C3_8 1.548(11) . ?
C1_8 C4_8 1.551(11) . ?
C1_8 C2_8 1.553(11) . ?
C2_8 F1_8 1.325(11) . ?
C2_8 F2_8 1.326(11) . ?
C2_8 F3_8 1.327(11) . ?
C3_8 F6_8 1.330(11) . ?
C3_8 F4_8 1.332(11) . ?
C3_8 F5_8 1.335(11) . ?
C4_8 F8_8 1.326(11) . ?
C4_8 F9_8 1.327(11) . ?
C4_8 F7_8 1.328(11) . ?
O1_9 C1_9 1.335(5) . ?
C1_9 C3_9 1.559(5) . ?
C1_9 C2_9 1.562(5) . ?
C1_9 C4_9 1.563(5) . ?
C2_9 F1_9 1.324(5) . ?
C2_9 F2_9 1.329(5) . ?
C2_9 F3_9 1.341(4) . ?
C3_9 F5_9 1.321(5) . ?
C3_9 F4_9 1.342(5) . ?
C3_9 F6_9 1.342(5) . ?
C4_9 F9_9 1.322(5) . ?
C4_9 F8_9 1.329(5) . ?
C4_9 F7_9 1.339(5) . ?
O1_10 C1_10 1.353(13) . ?
C1_10 C2_10 1.548(11) . ?
C1_10 C4_10 1.554(11) . ?
C1_10 C3_10 1.557(11) . ?
C2_10 F2_10 1.324(11) . ?
C2_10 F1_10 1.326(11) . ?
C2_10 F3_10 1.338(11) . ?
C3_10 F4_10 1.329(11) . ?
C3_10 F5_10 1.329(11) . ?
C3_10 F6_10 1.331(11) . ?
C4_10 F9_10 1.327(11) . ?
C4_10 F7_10 1.330(11) . ?
C4_10 F8_10 1.339(11) . ?
O1_11 C1_11 1.342(5) . ?
C1_11 C2_11 1.539(6) . ?
C1_11 C3_11 1.541(6) . ?
C1_11 C4_11 1.549(6) . ?
C2_11 F2_11 1.311(7) . ?
C2_11 F1_11 1.320(7) . ?
C2_11 F3_11 1.353(6) . ?
C3_11 F5_11 1.337(5) . ?
C3_11 F6_11 1.341(6) . ?
C3_11 F4_11 1.344(6) . ?
C4_11 F7_11 1.326(6) . ?
C4_11 F9_11 1.331(6) . ?
C4_11 F8_11 1.337(6) . ?
O1_12 C1_12 1.341(12) . ?
C1_12 C4_12 1.545(11) . ?
C1_12 C2_12 1.551(11) . ?
C1_12 C3_12 1.562(11) . ?
C2_12 F3_12 1.324(11) . ?
C2_12 F1_12 1.332(11) . ?
C2_12 F2_12 1.339(11) . ?
C3_12 F5_12 1.314(11) . ?
C3_12 F4_12 1.316(11) . ?
C3_12 F6_12 1.324(12) . ?
C4_12 F9_12 1.316(11) . ?
C4_12 F8_12 1.328(11) . ?
C4_12 F7_12 1.329(11) . ?
O1_13 C1_13 1.350(5) . ?
C1_13 C4_13 1.548(6) . ?
C1_13 C3_13 1.554(6) . ?
C1_13 C2_13 1.560(6) . ?
C2_13 F2_13 1.326(6) . ?
C2_13 F1_13 1.327(6) . ?
C2_13 F3_13 1.347(6) . ?
C3_13 F4_13 1.305(5) . ?
C3_13 F5_13 1.327(5) . ?
C3_13 F6_13 1.357(6) . ?
C4_13 F9_13 1.333(7) . ?
C4_13 F8_13 1.335(6) . ?
C4_13 F7_13 1.341(5) . ?
O1_14 C1_14 1.355(13) . ?
C1_14 C4_14 1.552(11) . ?
C1_14 C3_14 1.554(11) . ?
C1_14 C2_14 1.555(11) . ?
C2_14 F1_14 1.327(11) . ?
C2_14 F3_14 1.327(12) . ?
C2_14 F2_14 1.341(11) . ?
C3_14 F4_14 1.326(11) . ?
C3_14 F5_14 1.330(11) . ?
C3_14 F6_14 1.335(11) . ?
C4_14 F9_14 1.329(12) . ?
C4_14 F8_14 1.329(12) . ?
C4_14 F7_14 1.332(11) . ?
O1_15 C1_15 1.353(5) . ?
C1_15 C2_15 1.550(5) . ?
C1_15 C4_15 1.551(6) . ?
C1_15 C3_15 1.556(5) . ?
C2_15 F2_15 1.311(5) . ?
C2_15 F3_15 1.332(5) . ?
C2_15 F1_15 1.336(5) . ?
C3_15 F6_15 1.316(5) . ?
C3_15 F4_15 1.331(5) . ?
C3_15 F5_15 1.348(5) . ?
C4_15 F8_15 1.317(5) . ?
C4_15 F7_15 1.321(5) . ?
C4_15 F9_15 1.354(5) . ?
O1_16 C1_16 1.348(13) . ?
C1_16 C2_16 1.556(11) . ?
C1_16 C3_16 1.557(11) . ?
C1_16 C4_16 1.558(11) . ?
C2_16 F1_16 1.324(11) . ?
C2_16 F2_16 1.326(11) . ?
C2_16 F3_16 1.327(11) . ?
C3_16 F6_16 1.324(11) . ?
C3_16 F5_16 1.336(11) . ?
C3_16 F4_16 1.337(11) . ?
C4_16 F9_16 1.322(11) . ?
C4_16 F7_16 1.325(11) . ?
C4_16 F8_16 1.334(12) . ?
O1_17 C1_17 1.352(5) . ?
C1_17 C2_17 1.549(5) . ?
C1_17 C3_17 1.551(5) . ?
C1_17 C4_17 1.563(5) . ?
C2_17 F1_17 1.324(5) . ?
C2_17 F2_17 1.327(5) . ?
C2_17 F3_17 1.337(5) . ?
C3_17 F6_17 1.331(5) . ?
C3_17 F5_17 1.331(6) . ?
C3_17 F4_17 1.346(5) . ?
C4_17 F9_17 1.327(5) . ?
C4_17 F7_17 1.328(6) . ?
C4_17 F8_17 1.343(5) . ?
O1_18 C1_18 1.350(13) . ?
C1_18 C2_18 1.545(11) . ?
C1_18 C3_18 1.555(11) . ?
C1_18 C4_18 1.560(11) . ?
C2_18 F1_18 1.323(11) . ?
C2_18 F3_18 1.336(12) . ?
C2_18 F2_18 1.337(12) . ?
C3_18 F6_18 1.320(12) . ?
C3_18 F5_18 1.331(11) . ?
C3_18 F4_18 1.337(12) . ?
C4_18 F8_18 1.319(12) . ?
C4_18 F9_18 1.328(12) . ?
C4_18 F7_18 1.332(12) . ?
O1_19 C1_19 1.346(4) . ?
C1_19 C2_19 1.543(5) . ?
C1_19 C3_19 1.556(5) . ?
C1_19 C4_19 1.560(4) . ?
C2_19 F1_19 1.313(4) . ?
C2_19 F2_19 1.340(4) . ?
C2_19 F3_19 1.352(4) . ?
C3_19 F4_19 1.324(4) . ?
C3_19 F6_19 1.328(4) . ?
C3_19 F5_19 1.345(5) . ?
C4_19 F9_19 1.319(4) . ?
C4_19 F8_19 1.332(4) . ?
C4_19 F7_19 1.349(4) . ?
O1_20 C1_20 1.350(4) . ?
C1_20 C2_20 1.544(5) . ?
C1_20 C3_20 1.558(5) . ?
C1_20 C4_20 1.560(5) . ?
C2_20 F2_20 1.323(5) . ?
C2_20 F1_20 1.330(5) . ?
C2_20 F3_20 1.344(4) . ?
C3_20 F6_20 1.308(5) . ?
C3_20 F4_20 1.329(4) . ?
C3_20 F5_20 1.352(5) . ?
C4_20 F7_20 1.313(4) . ?
C4_20 F8_20 1.337(5) . ?
C4_20 F9_20 1.341(4) . ?
O1_22 C1_22 1.348(4) . ?
C1_22 C4_22 1.548(5) . ?
C1_22 C2_22 1.551(5) . ?
C1_22 C3_22 1.562(4) . ?
C2_22 F1_22 1.311(5) . ?
C2_22 F3_22 1.325(4) . ?
C2_22 F2_22 1.349(4) . ?
C3_22 F4_22 1.318(4) . ?
C3_22 F5_22 1.337(5) . ?
C3_22 F6_22 1.342(5) . ?
C4_22 F7_22 1.321(5) . ?
C4_22 F9_22 1.333(5) . ?
C4_22 F8_22 1.338(5) . ?

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_25 O1_25 Al2 145.5(2) . . ?
O1_25 C1_25 C4_25 112.1(3) . . ?
O1_25 C1_25 C2_25 107.5(3) . . ?
C4_25 C1_25 C2_25 109.1(3) . . ?
O1_25 C1_25 C3_25 109.7(3) . . ?
C4_25 C1_25 C3_25 108.8(3) . . ?
C2_25 C1_25 C3_25 109.7(3) . . ?
F1_25 C2_25 F3_25 106.5(3) . . ?
F1_25 C2_25 F2_25 107.3(3) . . ?
F3_25 C2_25 F2_25 107.2(3) . . ?
F1_25 C2_25 C1_25 111.2(3) . . ?
F3_25 C2_25 C1_25 111.7(3) . . ?
F2_25 C2_25 C1_25 112.6(3) . . ?
F4_25 C3_25 F6_25 108.2(3) . . ?
F4_25 C3_25 F5_25 108.4(3) . . ?
F6_25 C3_25 F5_25 106.3(3) . . ?
F4_25 C3_25 C1_25 111.0(3) . . ?
F6_25 C3_25 C1_25 112.2(3) . . ?
F5_25 C3_25 C1_25 110.6(3) . . ?
F8_25 C4_25 F7_25 107.0(3) . . ?
F8_25 C4_25 F9_25 107.9(3) . . ?
F7_25 C4_25 F9_25 106.7(3) . . ?
F8_25 C4_25 C1_25 114.1(3) . . ?
F7_25 C4_25 C1_25 111.2(3) . . ?
F9_25 C4_25 C1_25 109.6(3) . . ?
C1_24 O1_24 Al3 147.7(2) . . ?
O1_24 C1_24 C4_24 107.3(3) . . ?
O1_24 C1_24 C3_24 111.6(3) . . ?
C4_24 C1_24 C3_24 109.0(3) . . ?
O1_24 C1_24 C2_24 111.1(3) . . ?
C4_24 C1_24 C2_24 109.4(3) . . ?
C3_24 C1_24 C2_24 108.4(3) . . ?
F3_24 C2_24 F2_24 108.7(3) . . ?
F3_24 C2_24 F1_24 108.4(3) . . ?
F2_24 C2_24 F1_24 107.3(3) . . ?
F3_24 C2_24 C1_24 109.8(3) . . ?
F2_24 C2_24 C1_24 113.3(3) . . ?
F1_24 C2_24 C1_24 109.3(3) . . ?
F4_24 C3_24 F6_24 109.5(3) . . ?
F4_24 C3_24 F5_24 107.1(3) . . ?
F6_24 C3_24 F5_24 107.5(4) . . ?
F4_24 C3_24 C1_24 110.6(3) . . ?
F6_24 C3_24 C1_24 111.6(3) . . ?
F5_24 C3_24 C1_24 110.4(3) . . ?
F9_24 C4_24 F8_24 107.3(4) . . ?
F9_24 C4_24 F7_24 106.8(4) . . ?
F8_24 C4_24 F7_24 108.2(3) . . ?
F9_24 C4_24 C1_24 110.7(3) . . ?
F8_24 C4_24 C1_24 113.0(3) . . ?
F7_24 C4_24 C1_24 110.6(4) . . ?
C1_23 O1_23 Al4 147.5(3) . . ?
O1_23 C1_23 C2_23 108.3(3) . . ?
O1_23 C1_23 C4_23 111.8(3) . . ?
C2_23 C1_23 C4_23 109.6(3) . . ?
O1_23 C1_23 C3_23 110.5(3) . . ?
C2_23 C1_23 C3_23 108.9(3) . . ?
C4_23 C1_23 C3_23 107.8(3) . . ?
F1_23 C2_23 F2_23 108.9(3) . . ?
F1_23 C2_23 F3_23 107.3(3) . . ?
F2_23 C2_23 F3_23 107.7(3) . . ?
F1_23 C2_23 C1_23 110.3(3) . . ?
F2_23 C2_23 C1_23 111.8(3) . . ?
F3_23 C2_23 C1_23 110.7(3) . . ?
F4_23 C3_23 F6_23 108.2(3) . . ?
F4_23 C3_23 F5_23 107.0(3) . . ?
F6_23 C3_23 F5_23 106.7(3) . . ?
F4_23 C3_23 C1_23 111.7(3) . . ?
F6_23 C3_23 C1_23 113.2(3) . . ?
F5_23 C3_23 C1_23 109.7(3) . . ?
F7_23 C4_23 F9_23 106.4(3) . . ?
F7_23 C4_23 F8_23 107.9(3) . . ?
F9_23 C4_23 F8_23 107.6(3) . . ?
F7_23 C4_23 C1_23 111.5(3) . . ?
F9_23 C4_23 C1_23 110.7(3) . . ?
F8_23 C4_23 C1_23 112.5(3) . . ?
C1_21 O1_21 Al4 149.4(2) . . ?
O1_21 C1_21 C3_21 111.4(3) . . ?
O1_21 C1_21 C4_21 110.0(3) . . ?
C3_21 C1_21 C4_21 108.5(3) . . ?
O1_21 C1_21 C2_21 108.6(3) . . ?
C3_21 C1_21 C2_21 109.6(3) . . ?
C4_21 C1_21 C2_21 108.7(3) . . ?
F3_21 C2_21 F1_21 107.7(3) . . ?
F3_21 C2_21 F2_21 107.8(3) . . ?
F1_21 C2_21 F2_21 107.0(3) . . ?
F3_21 C2_21 C1_21 110.6(3) . . ?
F1_21 C2_21 C1_21 111.3(3) . . ?
F2_21 C2_21 C1_21 112.3(3) . . ?
F5_21 C3_21 F4_21 107.3(3) . . ?
F5_21 C3_21 F6_21 108.0(3) . . ?
F4_21 C3_21 F6_21 108.0(3) . . ?
F5_21 C3_21 C1_21 110.5(3) . . ?
F4_21 C3_21 C1_21 110.5(3) . . ?
F6_21 C3_21 C1_21 112.4(3) . . ?
F9_21 C4_21 F8_21 108.4(3) . . ?
F9_21 C4_21 F7_21 107.2(3) . . ?
F8_21 C4_21 F7_21 107.2(3) . . ?
F9_21 C4_21 C1_21 111.2(3) . . ?
F8_21 C4_21 C1_21 112.1(3) . . ?
F7_21 C4_21 C1_21 110.6(3) . . ?
O1_10 Al1 O1_8 114.5(8) . . ?
O1_15 Al1 O1_13 110.60(19) . . ?
O1_15 Al1 O1_9 108.30(17) . . ?
O1_13 Al1 O1_9 112.80(16) . . ?
O1_10 Al1 O1_14 109.4(9) . . ?
O1_8 Al1 O1_14 116.4(8) . . ?
O1_15 Al1 O1_7 111.63(17) . . ?
O1_13 Al1 O1_7 107.96(15) . . ?
O1_9 Al1 O1_7 105.48(15) . . ?
O1_10 Al1 O1_16 108.8(11) . . ?
O1_8 Al1 O1_16 102.7(9) . . ?
O1_14 Al1 O1_16 104.1(11) . . ?
O1_19 Al2 O1_6 108.0(10) . . ?
O1_19 Al2 O1_20 107.16(13) . . ?
O1_6 Al2 O1_20 110.9(12) . . ?
O1_19 Al2 O1_25 113.20(13) . . ?
O1_6 Al2 O1_25 109.6(10) . . ?
O1_20 Al2 O1_25 108.00(12) . . ?
O1_19 Al2 O1_5 106.1(3) . . ?
O1_20 Al2 O1_5 114.2(3) . . ?
O1_25 Al2 O1_5 108.4(3) . . ?
O1_2 Al3 O1_24 114.4(6) . . ?
O1_24 Al3 O1_11 112.9(3) . . ?
O1_2 Al3 O1_18 111.8(11) . . ?
O1_24 Al3 O1_18 94.9(9) . . ?
O1_2 Al3 O1_12 110.1(12) . . ?
O1_24 Al3 O1_12 114.7(11) . . ?
O1_18 Al3 O1_12 110.0(15) . . ?
O1_24 Al3 O1_17 107.78(14) . . ?
O1_11 Al3 O1_17 106.5(3) . . ?
O1_24 Al3 O1_1 106.2(2) . . ?
O1_11 Al3 O1_1 108.1(4) . . ?
O1_17 Al3 O1_1 115.5(2) . . ?
O1_3 Al4 O1_23 113.1(9) . . ?
O1_23 Al4 O1_4 111.6(8) . . ?
O1_3 Al4 O1_22 109.0(8) . . ?
O1_23 Al4 O1_22 105.57(14) . . ?
O1_4 Al4 O1_22 109.6(7) . . ?
O1_3 Al4 O1_21 109.7(7) . . ?
O1_23 Al4 O1_21 107.73(13) . . ?
O1_4 Al4 O1_21 110.5(7) . . ?
O1_22 Al4 O1_21 111.76(13) . . ?
H3 N1 H1A 109.5 . . ?
H3 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
H3 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
H3 N2 H3 0.0(12) . . ?
H3 N2 H2A 109.5 . . ?
H3 N2 H2A 109.5 . . ?
H3 N2 H2B 109.5 . . ?
H3 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
H3 N2 H2C 109.5 . . ?
H3 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
N4 N3 H3A 109.5 . . ?
N4 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
N4 N3 H3C 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
N3 N4 H4 0.0(3) . . ?
N3 N4 H4A 109.5 . . ?
H4 N4 H4A 109.5 . . ?
N3 N4 H4B 109.5 . . ?
H4 N4 H4B 109.4 . . ?
H4A N4 H4B 109.5 . . ?
N3 N4 H4C 109.5 . . ?
H4 N4 H4C 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
H1 N5 H1 0.0 . . ?
H1 N5 H5A 109.5 . . ?
H1 N5 H5A 109.5 . . ?
H1 N5 H5B 109.5 . . ?
H1 N5 H5B 109.5 . . ?
H5A N5 H5B 109.5 . . ?
H1 N5 H5C 109.5 . . ?
H1 N5 H5C 109.5 . . ?
H5A N5 H5C 109.5 . . ?
H5B N5 H5C 109.5 . . ?
H1 N6 H6A 109.5 . . ?
H1 N6 H6B 109.5 . . ?
H6A N6 H6B 109.5 . . ?
H1 N6 H6C 109.5 . . ?
H6A N6 H6C 109.5 . . ?
H6B N6 H6C 109.5 . . ?
H2 N8 H8A 109.5 . . ?
H2 N8 H8B 109.5 . . ?
H8A N8 H8B 109.5 . . ?
H2 N8 H8C 109.5 . . ?
H8A N8 H8C 109.5 . . ?
H8B N8 H8C 109.5 . . ?
H2 N7 H2 0.0(7) . . ?
H2 N7 H7A 109.5 . . ?
H2 N7 H7A 109.5 . . ?
H2 N7 H7B 109.5 . . ?
H2 N7 H7B 109.5 . . ?
H7A N7 H7B 109.5 . . ?
H2 N7 H7C 109.5 . . ?
H2 N7 H7C 109.5 . . ?
H7A N7 H7C 109.5 . . ?
H7B N7 H7C 109.5 . . ?
C1_1 O1_1 Al3 144.1(5) . . ?
O1_1 C1_1 C3_1 113.0(5) . . ?
O1_1 C1_1 C2_1 107.7(5) . . ?
C3_1 C1_1 C2_1 109.8(5) . . ?
O1_1 C1_1 C4_1 107.7(5) . . ?
C3_1 C1_1 C4_1 108.8(5) . . ?
C2_1 C1_1 C4_1 109.8(5) . . ?
F2_1 C2_1 F3_1 107.0(6) . . ?
F2_1 C2_1 F1_1 107.5(6) . . ?
F3_1 C2_1 F1_1 107.2(6) . . ?
F2_1 C2_1 C1_1 112.0(5) . . ?
F3_1 C2_1 C1_1 109.6(5) . . ?
F1_1 C2_1 C1_1 113.2(6) . . ?
F5_1 C3_1 F4_1 108.3(5) . . ?
F5_1 C3_1 F6_1 106.1(7) . . ?
F4_1 C3_1 F6_1 105.1(6) . . ?
F5_1 C3_1 C1_1 112.1(5) . . ?
F4_1 C3_1 C1_1 111.8(5) . . ?
F6_1 C3_1 C1_1 113.1(7) . . ?
F7_1 C4_1 F8_1 108.5(6) . . ?
F7_1 C4_1 F9_1 107.4(6) . . ?
F8_1 C4_1 F9_1 106.8(6) . . ?
F7_1 C4_1 C1_1 111.8(5) . . ?
F8_1 C4_1 C1_1 111.5(5) . . ?
F9_1 C4_1 C1_1 110.6(6) . . ?
C1_2 O1_2 Al3 151.5(15) . . ?
O1_2 C1_2 C2_2 115.0(11) . . ?
O1_2 C1_2 C4_2 108.8(10) . . ?
C2_2 C1_2 C4_2 108.7(8) . . ?
O1_2 C1_2 C3_2 105.2(10) . . ?
C2_2 C1_2 C3_2 109.1(9) . . ?
C4_2 C1_2 C3_2 109.9(9) . . ?
F1_2 C2_2 F3_2 104.2(10) . . ?
F1_2 C2_2 F2_2 109.5(13) . . ?
F3_2 C2_2 F2_2 107.3(12) . . ?
F1_2 C2_2 C1_2 114.7(10) . . ?
F3_2 C2_2 C1_2 111.1(9) . . ?
F2_2 C2_2 C1_2 109.8(11) . . ?
F4_2 C3_2 F5_2 108.5(10) . . ?
F4_2 C3_2 F6_2 110.0(14) . . ?
F5_2 C3_2 F6_2 106.4(14) . . ?
F4_2 C3_2 C1_2 109.7(9) . . ?
F5_2 C3_2 C1_2 109.8(9) . . ?
F6_2 C3_2 C1_2 112.3(15) . . ?
F7_2 C4_2 F9_2 106.2(11) . . ?
F7_2 C4_2 F8_2 106.9(11) . . ?
F9_2 C4_2 F8_2 108.4(11) . . ?
F7_2 C4_2 C1_2 110.8(9) . . ?
F9_2 C4_2 C1_2 114.0(12) . . ?
F8_2 C4_2 C1_2 110.3(9) . . ?
C1_4 O1_4 Al4 149.2(14) . . ?
O1_4 C1_4 C3_4 112.3(11) . . ?
O1_4 C1_4 C4_4 108.3(9) . . ?
C3_4 C1_4 C4_4 109.0(7) . . ?
O1_4 C1_4 C2_4 109.3(11) . . ?
C3_4 C1_4 C2_4 108.6(7) . . ?
C4_4 C1_4 C2_4 109.3(7) . . ?
F3_4 C2_4 F1_4 106.2(7) . . ?
F3_4 C2_4 F2_4 108.8(10) . . ?
F1_4 C2_4 F2_4 107.2(9) . . ?
F3_4 C2_4 C1_4 112.4(7) . . ?
F1_4 C2_4 C1_4 110.6(7) . . ?
F2_4 C2_4 C1_4 111.4(9) . . ?
F6_4 C3_4 F5_4 108.5(8) . . ?
F6_4 C3_4 F4_4 108.6(9) . . ?
F5_4 C3_4 F4_4 107.1(8) . . ?
F6_4 C3_4 C1_4 112.8(9) . . ?
F5_4 C3_4 C1_4 110.2(7) . . ?
F4_4 C3_4 C1_4 109.4(7) . . ?
F7_4 C4_4 F9_4 105.9(7) . . ?
F7_4 C4_4 F8_4 109.0(10) . . ?
F9_4 C4_4 F8_4 106.6(10) . . ?
F7_4 C4_4 C1_4 111.0(7) . . ?
F9_4 C4_4 C1_4 110.7(7) . . ?
F8_4 C4_4 C1_4 113.3(11) . . ?
C1_3 O1_3 Al4 148.8(15) . . ?
O1_3 C1_3 C3_3 112.4(12) . . ?
O1_3 C1_3 C2_3 109.5(11) . . ?
C3_3 C1_3 C2_3 109.9(8) . . ?
O1_3 C1_3 C4_3 106.8(9) . . ?
C3_3 C1_3 C4_3 109.4(7) . . ?
C2_3 C1_3 C4_3 108.7(7) . . ?
F1_3 C2_3 F2_3 109.0(9) . . ?
F1_3 C2_3 F3_3 106.1(10) . . ?
F2_3 C2_3 F3_3 105.0(10) . . ?
F1_3 C2_3 C1_3 111.8(8) . . ?
F2_3 C2_3 C1_3 110.4(8) . . ?
F3_3 C2_3 C1_3 114.2(10) . . ?
F5_3 C3_3 F4_3 107.6(10) . . ?
F5_3 C3_3 F6_3 109.3(9) . . ?
F4_3 C3_3 F6_3 107.3(8) . . ?
F5_3 C3_3 C1_3 112.4(10) . . ?
F4_3 C3_3 C1_3 109.2(8) . . ?
F6_3 C3_3 C1_3 110.9(8) . . ?
F7_3 C4_3 F9_3 107.6(8) . . ?
F7_3 C4_3 F8_3 107.2(11) . . ?
F9_3 C4_3 F8_3 107.9(10) . . ?
F7_3 C4_3 C1_3 111.3(8) . . ?
F9_3 C4_3 C1_3 111.4(8) . . ?
F8_3 C4_3 C1_3 111.3(12) . . ?
C1_5 O1_5 Al2 148.1(5) . . ?
O1_5 C1_5 C4_5 112.0(5) . . ?
O1_5 C1_5 C3_5 108.0(4) . . ?
C4_5 C1_5 C3_5 110.3(4) . . ?
O1_5 C1_5 C2_5 109.8(5) . . ?
C4_5 C1_5 C2_5 108.6(4) . . ?
C3_5 C1_5 C2_5 108.0(4) . . ?
F1_5 C2_5 F2_5 108.7(5) . . ?
F1_5 C2_5 F3_5 105.7(4) . . ?
F2_5 C2_5 F3_5 107.4(5) . . ?
F1_5 C2_5 C1_5 111.6(4) . . ?
F2_5 C2_5 C1_5 110.8(5) . . ?
F3_5 C2_5 C1_5 112.5(4) . . ?
F4_5 C3_5 F5_5 109.4(5) . . ?
F4_5 C3_5 F6_5 107.1(4) . . ?
F5_5 C3_5 F6_5 106.4(5) . . ?
F4_5 C3_5 C1_5 112.7(4) . . ?
F5_5 C3_5 C1_5 108.8(5) . . ?
F6_5 C3_5 C1_5 112.2(4) . . ?
F8_5 C4_5 F7_5 107.5(4) . . ?
F8_5 C4_5 F9_5 108.3(5) . . ?
F7_5 C4_5 F9_5 108.0(5) . . ?
F8_5 C4_5 C1_5 111.3(4) . . ?
F7_5 C4_5 C1_5 112.2(4) . . ?
F9_5 C4_5 C1_5 109.4(5) . . ?
C1_6 O1_6 Al2 150(2) . . ?
O1_6 C1_6 C4_6 110.3(14) . . ?
O1_6 C1_6 C2_6 109.2(15) . . ?
C4_6 C1_6 C2_6 109.2(10) . . ?
O1_6 C1_6 C3_6 108.8(13) . . ?
C4_6 C1_6 C3_6 108.4(10) . . ?
C2_6 C1_6 C3_6 111.0(10) . . ?
F3_6 C2_6 F2_6 108.7(13) . . ?
F3_6 C2_6 F1_6 104.9(15) . . ?
F2_6 C2_6 F1_6 107.3(15) . . ?
F3_6 C2_6 C1_6 112.5(13) . . ?
F2_6 C2_6 C1_6 113.3(12) . . ?
F1_6 C2_6 C1_6 109.5(14) . . ?
F4_6 C3_6 F5_6 106.5(15) . . ?
F4_6 C3_6 F6_6 110.1(14) . . ?
F5_6 C3_6 F6_6 108.5(16) . . ?
F4_6 C3_6 C1_6 111.1(12) . . ?
F5_6 C3_6 C1_6 110.6(17) . . ?
F6_6 C3_6 C1_6 109.9(12) . . ?
F9_6 C4_6 F8_6 108.5(14) . . ?
F9_6 C4_6 F7_6 105.6(15) . . ?
F8_6 C4_6 F7_6 108.1(16) . . ?
F9_6 C4_6 C1_6 112.3(11) . . ?
F8_6 C4_6 C1_6 112.1(13) . . ?
F7_6 C4_6 C1_6 110.0(17) . . ?
C1_7 O1_7 Al1 146.8(3) . . ?
O1_7 C1_7 C2_7 110.9(3) . . ?
O1_7 C1_7 C3_7 107.4(3) . . ?
C2_7 C1_7 C3_7 109.3(3) . . ?
O1_7 C1_7 C4_7 111.3(4) . . ?
C2_7 C1_7 C4_7 108.8(3) . . ?
C3_7 C1_7 C4_7 109.1(3) . . ?
F2_7 C2_7 F1_7 107.8(4) . . ?
F2_7 C2_7 F3_7 107.2(4) . . ?
F1_7 C2_7 F3_7 107.8(4) . . ?
F2_7 C2_7 C1_7 110.4(4) . . ?
F1_7 C2_7 C1_7 111.2(4) . . ?
F3_7 C2_7 C1_7 112.2(4) . . ?
F6_7 C3_7 F4_7 107.2(3) . . ?
F6_7 C3_7 F5_7 107.6(3) . . ?
F4_7 C3_7 F5_7 106.8(4) . . ?
F6_7 C3_7 C1_7 111.5(4) . . ?
F4_7 C3_7 C1_7 111.2(3) . . ?
F5_7 C3_7 C1_7 112.2(3) . . ?
F9_7 C4_7 F7_7 108.5(4) . . ?
F9_7 C4_7 F8_7 107.6(4) . . ?
F7_7 C4_7 F8_7 107.3(4) . . ?
F9_7 C4_7 C1_7 110.2(3) . . ?
F7_7 C4_7 C1_7 112.9(4) . . ?
F8_7 C4_7 C1_7 110.2(4) . . ?
C1_8 O1_8 Al1 143.9(12) . . ?
O1_8 C1_8 C3_8 110.3(11) . . ?
O1_8 C1_8 C4_8 108.1(10) . . ?
C3_8 C1_8 C4_8 109.7(10) . . ?
O1_8 C1_8 C2_8 110.5(11) . . ?
C3_8 C1_8 C2_8 110.0(10) . . ?
C4_8 C1_8 C2_8 108.2(9) . . ?
F1_8 C2_8 F2_8 110.0(16) . . ?
F1_8 C2_8 F3_8 108.6(15) . . ?
F2_8 C2_8 F3_8 106.4(13) . . ?
F1_8 C2_8 C1_8 109.2(15) . . ?
F2_8 C2_8 C1_8 112.4(12) . . ?
F3_8 C2_8 C1_8 110.2(11) . . ?
F6_8 C3_8 F4_8 109.8(12) . . ?
F6_8 C3_8 F5_8 106.3(12) . . ?
F4_8 C3_8 F5_8 106.4(12) . . ?
F6_8 C3_8 C1_8 111.6(11) . . ?
F4_8 C3_8 C1_8 111.4(11) . . ?
F5_8 C3_8 C1_8 111.0(11) . . ?
F8_8 C4_8 F9_8 106.8(11) . . ?
F8_8 C4_8 F7_8 107.4(11) . . ?
F9_8 C4_8 F7_8 107.1(12) . . ?
F8_8 C4_8 C1_8 113.4(11) . . ?
F9_8 C4_8 C1_8 111.3(11) . . ?
F7_8 C4_8 C1_8 110.4(10) . . ?
C1_9 O1_9 Al1 147.0(3) . . ?
O1_9 C1_9 C3_9 111.0(3) . . ?
O1_9 C1_9 C2_9 111.0(3) . . ?
C3_9 C1_9 C2_9 108.4(3) . . ?
O1_9 C1_9 C4_9 108.5(3) . . ?
C3_9 C1_9 C4_9 108.8(3) . . ?
C2_9 C1_9 C4_9 109.0(3) . . ?
F1_9 C2_9 F2_9 107.6(3) . . ?
F1_9 C2_9 F3_9 107.3(3) . . ?
F2_9 C2_9 F3_9 107.6(3) . . ?
F1_9 C2_9 C1_9 110.6(3) . . ?
F2_9 C2_9 C1_9 111.0(3) . . ?
F3_9 C2_9 C1_9 112.5(3) . . ?
F5_9 C3_9 F4_9 108.3(4) . . ?
F5_9 C3_9 F6_9 107.2(4) . . ?
F4_9 C3_9 F6_9 108.1(4) . . ?
F5_9 C3_9 C1_9 112.7(3) . . ?
F4_9 C3_9 C1_9 109.6(3) . . ?
F6_9 C3_9 C1_9 110.9(4) . . ?
F9_9 C4_9 F8_9 108.2(3) . . ?
F9_9 C4_9 F7_9 107.2(3) . . ?
F8_9 C4_9 F7_9 107.5(3) . . ?
F9_9 C4_9 C1_9 110.9(3) . . ?
F8_9 C4_9 C1_9 112.4(3) . . ?
F7_9 C4_9 C1_9 110.3(3) . . ?
C1_10 O1_10 Al1 149.9(15) . . ?
O1_10 C1_10 C2_10 107.4(11) . . ?
O1_10 C1_10 C4_10 111.6(11) . . ?
C2_10 C1_10 C4_10 110.0(10) . . ?
O1_10 C1_10 C3_10 111.1(12) . . ?
C2_10 C1_10 C3_10 109.8(10) . . ?
C4_10 C1_10 C3_10 107.0(10) . . ?
F2_10 C2_10 F1_10 106.4(13) . . ?
F2_10 C2_10 F3_10 110.0(13) . . ?
F1_10 C2_10 F3_10 107.5(13) . . ?
F2_10 C2_10 C1_10 113.0(11) . . ?
F1_10 C2_10 C1_10 109.7(11) . . ?
F3_10 C2_10 C1_10 110.0(11) . . ?
F4_10 C3_10 F5_10 108.3(15) . . ?
F4_10 C3_10 F6_10 108.0(13) . . ?
F5_10 C3_10 F6_10 107.9(14) . . ?
F4_10 C3_10 C1_10 110.0(11) . . ?
F5_10 C3_10 C1_10 109.9(15) . . ?
F6_10 C3_10 C1_10 112.6(12) . . ?
F9_10 C4_10 F7_10 107.0(12) . . ?
F9_10 C4_10 F8_10 108.5(12) . . ?
F7_10 C4_10 F8_10 106.9(12) . . ?
F9_10 C4_10 C1_10 112.0(11) . . ?
F7_10 C4_10 C1_10 109.9(10) . . ?
F8_10 C4_10 C1_10 112.2(11) . . ?
C1_11 O1_11 Al3 147.7(6) . . ?
O1_11 C1_11 C2_11 107.4(4) . . ?
O1_11 C1_11 C3_11 110.3(5) . . ?
C2_11 C1_11 C3_11 109.7(4) . . ?
O1_11 C1_11 C4_11 112.6(5) . . ?
C2_11 C1_11 C4_11 108.3(4) . . ?
C3_11 C1_11 C4_11 108.5(4) . . ?
F2_11 C2_11 F1_11 109.7(5) . . ?
F2_11 C2_11 F3_11 105.9(5) . . ?
F1_11 C2_11 F3_11 107.4(5) . . ?
F2_11 C2_11 C1_11 110.8(4) . . ?
F1_11 C2_11 C1_11 111.2(5) . . ?
F3_11 C2_11 C1_11 111.7(4) . . ?
F5_11 C3_11 F6_11 106.6(4) . . ?
F5_11 C3_11 F4_11 109.0(4) . . ?
F6_11 C3_11 F4_11 106.1(4) . . ?
F5_11 C3_11 C1_11 113.5(4) . . ?
F6_11 C3_11 C1_11 109.8(4) . . ?
F4_11 C3_11 C1_11 111.5(4) . . ?
F7_11 C4_11 F9_11 107.0(5) . . ?
F7_11 C4_11 F8_11 106.7(5) . . ?
F9_11 C4_11 F8_11 107.2(5) . . ?
F7_11 C4_11 C1_11 111.9(4) . . ?
F9_11 C4_11 C1_11 113.2(4) . . ?
F8_11 C4_11 C1_11 110.4(4) . . ?
C1_12 O1_12 Al3 157(2) . . ?
O1_12 C1_12 C4_12 111.8(15) . . ?
O1_12 C1_12 C2_12 110.9(13) . . ?
C4_12 C1_12 C2_12 109.2(10) . . ?
O1_12 C1_12 C3_12 110.2(15) . . ?
C4_12 C1_12 C3_12 106.1(10) . . ?
C2_12 C1_12 C3_12 108.5(10) . . ?
F3_12 C2_12 F1_12 109.3(14) . . ?
F3_12 C2_12 F2_12 109.5(13) . . ?
F1_12 C2_12 F2_12 107.4(13) . . ?
F3_12 C2_12 C1_12 108.9(13) . . ?
F1_12 C2_12 C1_12 108.8(12) . . ?
F2_12 C2_12 C1_12 112.9(12) . . ?
F5_12 C3_12 F4_12 111.8(14) . . ?
F5_12 C3_12 F6_12 104.6(14) . . ?
F4_12 C3_12 F6_12 112.4(15) . . ?
F5_12 C3_12 C1_12 110.2(12) . . ?
F4_12 C3_12 C1_12 107.5(12) . . ?
F6_12 C3_12 C1_12 110.3(12) . . ?
F9_12 C4_12 F8_12 110.1(14) . . ?
F9_12 C4_12 F7_12 104.9(13) . . ?
F8_12 C4_12 F7_12 111.0(12) . . ?
F9_12 C4_12 C1_12 108.9(12) . . ?
F8_12 C4_12 C1_12 110.1(12) . . ?
F7_12 C4_12 C1_12 111.7(12) . . ?
C1_13 O1_13 Al1 148.3(3) . . ?
O1_13 C1_13 C4_13 111.4(4) . . ?
O1_13 C1_13 C3_13 107.9(4) . . ?
C4_13 C1_13 C3_13 109.8(4) . . ?
O1_13 C1_13 C2_13 109.3(4) . . ?
C4_13 C1_13 C2_13 110.1(4) . . ?
C3_13 C1_13 C2_13 108.2(4) . . ?
F2_13 C2_13 F1_13 107.2(5) . . ?
F2_13 C2_13 F3_13 108.2(4) . . ?
F1_13 C2_13 F3_13 108.5(4) . . ?
F2_13 C2_13 C1_13 111.0(4) . . ?
F1_13 C2_13 C1_13 110.5(4) . . ?
F3_13 C2_13 C1_13 111.3(4) . . ?
F4_13 C3_13 F5_13 107.7(4) . . ?
F4_13 C3_13 F6_13 107.4(5) . . ?
F5_13 C3_13 F6_13 107.0(5) . . ?
F4_13 C3_13 C1_13 112.1(4) . . ?
F5_13 C3_13 C1_13 113.2(4) . . ?
F6_13 C3_13 C1_13 109.2(4) . . ?
F9_13 C4_13 F8_13 107.8(5) . . ?
F9_13 C4_13 F7_13 106.8(5) . . ?
F8_13 C4_13 F7_13 106.6(4) . . ?
F9_13 C4_13 C1_13 111.4(5) . . ?
F8_13 C4_13 C1_13 111.1(4) . . ?
F7_13 C4_13 C1_13 112.8(4) . . ?
C1_14 O1_14 Al1 149.9(15) . . ?
O1_14 C1_14 C4_14 109.2(12) . . ?
O1_14 C1_14 C3_14 109.7(11) . . ?
C4_14 C1_14 C3_14 108.8(11) . . ?
O1_14 C1_14 C2_14 111.7(12) . . ?
C4_14 C1_14 C2_14 108.7(11) . . ?
C3_14 C1_14 C2_14 108.8(10) . . ?
F1_14 C2_14 F3_14 108.8(14) . . ?
F1_14 C2_14 F2_14 104.8(13) . . ?
F3_14 C2_14 F2_14 105.3(13) . . ?
F1_14 C2_14 C1_14 112.3(12) . . ?
F3_14 C2_14 C1_14 112.3(13) . . ?
F2_14 C2_14 C1_14 112.8(13) . . ?
F4_14 C3_14 F5_14 108.2(15) . . ?
F4_14 C3_14 F6_14 105.2(14) . . ?
F5_14 C3_14 F6_14 109.4(15) . . ?
F4_14 C3_14 C1_14 111.8(13) . . ?
F5_14 C3_14 C1_14 108.7(15) . . ?
F6_14 C3_14 C1_14 113.3(12) . . ?
F9_14 C4_14 F8_14 107.3(16) . . ?
F9_14 C4_14 F7_14 106.6(15) . . ?
F8_14 C4_14 F7_14 108.7(16) . . ?
F9_14 C4_14 C1_14 109.3(14) . . ?
F8_14 C4_14 C1_14 109.9(15) . . ?
F7_14 C4_14 C1_14 114.7(16) . . ?
C1_15 O1_15 Al1 148.3(3) . . ?
O1_15 C1_15 C2_15 109.8(4) . . ?
O1_15 C1_15 C4_15 106.5(4) . . ?
C2_15 C1_15 C4_15 111.0(3) . . ?
O1_15 C1_15 C3_15 111.2(3) . . ?
C2_15 C1_15 C3_15 109.5(3) . . ?
C4_15 C1_15 C3_15 108.9(3) . . ?
F2_15 C2_15 F3_15 107.0(4) . . ?
F2_15 C2_15 F1_15 107.3(4) . . ?
F3_15 C2_15 F1_15 107.3(4) . . ?
F2_15 C2_15 C1_15 111.5(3) . . ?
F3_15 C2_15 C1_15 112.8(4) . . ?
F1_15 C2_15 C1_15 110.7(4) . . ?
F6_15 C3_15 F4_15 107.8(3) . . ?
F6_15 C3_15 F5_15 108.2(4) . . ?
F4_15 C3_15 F5_15 106.5(4) . . ?
F6_15 C3_15 C1_15 111.6(3) . . ?
F4_15 C3_15 C1_15 111.2(3) . . ?
F5_15 C3_15 C1_15 111.3(3) . . ?
F8_15 C4_15 F7_15 108.9(4) . . ?
F8_15 C4_15 F9_15 106.1(4) . . ?
F7_15 C4_15 F9_15 107.5(4) . . ?
F8_15 C4_15 C1_15 111.8(4) . . ?
F7_15 C4_15 C1_15 111.3(4) . . ?
F9_15 C4_15 C1_15 111.0(4) . . ?
C1_16 O1_16 Al1 149.6(19) . . ?
O1_16 C1_16 C2_16 110.4(13) . . ?
O1_16 C1_16 C3_16 109.9(13) . . ?
C2_16 C1_16 C3_16 109.3(10) . . ?
O1_16 C1_16 C4_16 110.1(13) . . ?
C2_16 C1_16 C4_16 108.5(10) . . ?
C3_16 C1_16 C4_16 108.5(10) . . ?
F1_16 C2_16 F2_16 106.3(13) . . ?
F1_16 C2_16 F3_16 108.2(14) . . ?
F2_16 C2_16 F3_16 108.5(14) . . ?
F1_16 C2_16 C1_16 112.1(13) . . ?
F2_16 C2_16 C1_16 111.4(12) . . ?
F3_16 C2_16 C1_16 110.2(12) . . ?
F6_16 C3_16 F5_16 109.8(14) . . ?
F6_16 C3_16 F4_16 107.4(14) . . ?
F5_16 C3_16 F4_16 108.7(14) . . ?
F6_16 C3_16 C1_16 111.1(14) . . ?
F5_16 C3_16 C1_16 109.9(11) . . ?
F4_16 C3_16 C1_16 109.9(13) . . ?
F9_16 C4_16 F7_16 112.0(14) . . ?
F9_16 C4_16 F8_16 108.2(14) . . ?
F7_16 C4_16 F8_16 107.3(15) . . ?
F9_16 C4_16 C1_16 111.6(13) . . ?
F7_16 C4_16 C1_16 108.9(12) . . ?
F8_16 C4_16 C1_16 108.8(14) . . ?
C1_17 O1_17 Al3 146.1(3) . . ?
O1_17 C1_17 C2_17 107.9(3) . . ?
O1_17 C1_17 C3_17 112.4(3) . . ?
C2_17 C1_17 C3_17 108.9(3) . . ?
O1_17 C1_17 C4_17 110.9(3) . . ?
C2_17 C1_17 C4_17 108.2(3) . . ?
C3_17 C1_17 C4_17 108.4(3) . . ?
F1_17 C2_17 F2_17 107.7(4) . . ?
F1_17 C2_17 F3_17 106.9(4) . . ?
F2_17 C2_17 F3_17 107.2(4) . . ?
F1_17 C2_17 C1_17 111.0(4) . . ?
F2_17 C2_17 C1_17 109.9(4) . . ?
F3_17 C2_17 C1_17 113.9(4) . . ?
F6_17 C3_17 F5_17 106.9(4) . . ?
F6_17 C3_17 F4_17 107.3(4) . . ?
F5_17 C3_17 F4_17 107.3(4) . . ?
F6_17 C3_17 C1_17 112.0(4) . . ?
F5_17 C3_17 C1_17 112.4(4) . . ?
F4_17 C3_17 C1_17 110.7(4) . . ?
F9_17 C4_17 F7_17 107.5(4) . . ?
F9_17 C4_17 F8_17 107.8(4) . . ?
F7_17 C4_17 F8_17 108.4(4) . . ?
F9_17 C4_17 C1_17 110.7(3) . . ?
F7_17 C4_17 C1_17 112.4(4) . . ?
F8_17 C4_17 C1_17 109.9(4) . . ?
C1_18 O1_18 Al3 157.3(19) . . ?
O1_18 C1_18 C2_18 115.9(14) . . ?
O1_18 C1_18 C3_18 105.8(12) . . ?
C2_18 C1_18 C3_18 109.5(11) . . ?
O1_18 C1_18 C4_18 106.2(13) . . ?
C2_18 C1_18 C4_18 108.7(11) . . ?
C3_18 C1_18 C4_18 110.6(11) . . ?
F1_18 C2_18 F3_18 109.2(14) . . ?
F1_18 C2_18 F2_18 107.3(16) . . ?
F3_18 C2_18 F2_18 106.0(16) . . ?
F1_18 C2_18 C1_18 112.1(13) . . ?
F3_18 C2_18 C1_18 111.8(14) . . ?
F2_18 C2_18 C1_18 110.1(17) . . ?
F6_18 C3_18 F5_18 110.6(17) . . ?
F6_18 C3_18 F4_18 108.8(17) . . ?
F5_18 C3_18 F4_18 106.6(14) . . ?
F6_18 C3_18 C1_18 113.0(18) . . ?
F5_18 C3_18 C1_18 109.6(12) . . ?
F4_18 C3_18 C1_18 108.1(14) . . ?
F8_18 C4_18 F9_18 109.9(17) . . ?
F8_18 C4_18 F7_18 110.4(17) . . ?
F9_18 C4_18 F7_18 107.6(14) . . ?
F8_18 C4_18 C1_18 113.3(19) . . ?
F9_18 C4_18 C1_18 107.6(14) . . ?
F7_18 C4_18 C1_18 107.9(12) . . ?
C1_19 O1_19 Al2 148.7(2) . . ?
O1_19 C1_19 C2_19 108.1(3) . . ?
O1_19 C1_19 C3_19 110.3(3) . . ?
C2_19 C1_19 C3_19 109.5(3) . . ?
O1_19 C1_19 C4_19 111.1(3) . . ?
C2_19 C1_19 C4_19 109.3(3) . . ?
C3_19 C1_19 C4_19 108.5(3) . . ?
F1_19 C2_19 F2_19 107.6(3) . . ?
F1_19 C2_19 F3_19 107.9(3) . . ?
F2_19 C2_19 F3_19 107.2(3) . . ?
F1_19 C2_19 C1_19 111.8(3) . . ?
F2_19 C2_19 C1_19 110.1(3) . . ?
F3_19 C2_19 C1_19 111.9(3) . . ?
F4_19 C3_19 F6_19 107.3(3) . . ?
F4_19 C3_19 F5_19 106.7(3) . . ?
F6_19 C3_19 F5_19 107.4(3) . . ?
F4_19 C3_19 C1_19 113.3(3) . . ?
F6_19 C3_19 C1_19 110.6(3) . . ?
F5_19 C3_19 C1_19 111.2(3) . . ?
F9_19 C4_19 F8_19 106.9(3) . . ?
F9_19 C4_19 F7_19 107.7(3) . . ?
F8_19 C4_19 F7_19 106.9(3) . . ?
F9_19 C4_19 C1_19 111.7(3) . . ?
F8_19 C4_19 C1_19 111.1(3) . . ?
F7_19 C4_19 C1_19 112.3(3) . . ?
C1_20 O1_20 Al2 147.4(2) . . ?
O1_20 C1_20 C2_20 108.2(3) . . ?
O1_20 C1_20 C3_20 111.3(3) . . ?
C2_20 C1_20 C3_20 108.1(3) . . ?
O1_20 C1_20 C4_20 110.6(3) . . ?
C2_20 C1_20 C4_20 109.4(3) . . ?
C3_20 C1_20 C4_20 109.2(3) . . ?
F2_20 C2_20 F1_20 107.2(4) . . ?
F2_20 C2_20 F3_20 107.9(3) . . ?
F1_20 C2_20 F3_20 106.7(3) . . ?
F2_20 C2_20 C1_20 111.7(3) . . ?
F1_20 C2_20 C1_20 110.5(3) . . ?
F3_20 C2_20 C1_20 112.6(3) . . ?
F6_20 C3_20 F4_20 109.2(4) . . ?
F6_20 C3_20 F5_20 106.2(3) . . ?
F4_20 C3_20 F5_20 107.2(4) . . ?
F6_20 C3_20 C1_20 111.1(3) . . ?
F4_20 C3_20 C1_20 112.3(3) . . ?
F5_20 C3_20 C1_20 110.4(3) . . ?
F7_20 C4_20 F8_20 108.9(3) . . ?
F7_20 C4_20 F9_20 107.9(3) . . ?
F8_20 C4_20 F9_20 106.9(3) . . ?
F7_20 C4_20 C1_20 112.9(3) . . ?
F8_20 C4_20 C1_20 110.2(3) . . ?
F9_20 C4_20 C1_20 109.8(3) . . ?
C1_22 O1_22 Al4 147.6(2) . . ?
O1_22 C1_22 C4_22 111.0(3) . . ?
O1_22 C1_22 C2_22 110.1(3) . . ?
C4_22 C1_22 C2_22 110.8(3) . . ?
O1_22 C1_22 C3_22 106.6(3) . . ?
C4_22 C1_22 C3_22 108.3(3) . . ?
C2_22 C1_22 C3_22 109.9(3) . . ?
F1_22 C2_22 F3_22 108.8(3) . . ?
F1_22 C2_22 F2_22 107.0(3) . . ?
F3_22 C2_22 F2_22 106.8(3) . . ?
F1_22 C2_22 C1_22 111.6(3) . . ?
F3_22 C2_22 C1_22 111.3(3) . . ?
F2_22 C2_22 C1_22 111.1(3) . . ?
F4_22 C3_22 F5_22 107.1(3) . . ?
F4_22 C3_22 F6_22 108.2(3) . . ?
F5_22 C3_22 F6_22 106.3(3) . . ?
F4_22 C3_22 C1_22 111.8(3) . . ?
F5_22 C3_22 C1_22 110.9(3) . . ?
F6_22 C3_22 C1_22 112.3(3) . . ?
F7_22 C4_22 F9_22 108.1(3) . . ?
F7_22 C4_22 F8_22 107.5(3) . . ?
F9_22 C4_22 F8_22 107.1(3) . . ?
F7_22 C4_22 C1_22 113.2(3) . . ?
F9_22 C4_22 C1_22 111.3(3) . . ?
F8_22 C4_22 C1_22 109.4(3) . . ?

_refine_diff_density_max         0.837
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.093

####################################################################### 
# 
# 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_CuPFFPF_a
_database_code_depnum_ccdc_archive 'CCDC 1960199'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT307_CuPFFPF_a           
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)        Ag3 Check 
RESPONSE: The atom is from slight impurity of Ag compound
;
_vrf_PLAT088_CuPFFPF_a           
;
PROBLEM: Poor Data / Parameter Ratio ....................       6.44 Note  
RESPONSE: This is the result of highly disordered -OC(CF3)3 groups. However,
there are many restraints and constraints on its geometry.
;
# end Validation Reply Form 
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 Ag0.04 Al2 Cu0.95 F55 O6'
_chemical_formula_weight         1548.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.5661(5)
_cell_length_b                   10.7463(4)
_cell_length_c                   22.2844(8)
_cell_angle_alpha                82.600(3)
_cell_angle_beta                 87.100(3)
_cell_angle_gamma                61.460(4)
_cell_volume                     2204.15(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11550
_cell_measurement_theta_min      3.9380
_cell_measurement_theta_max      68.0310

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.333
_exptl_crystal_F_000             1485
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.877
_shelx_estimated_absorpt_T_min   0.594
_shelx_estimated_absorpt_T_max   0.830
_exptl_absorpt_correction_T_min  0.54773
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38987
_diffrn_reflns_av_unetI/netI     0.0800
_diffrn_reflns_av_R_equivalents  0.1353
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.999
_diffrn_reflns_theta_max         68.252
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8052
_reflns_number_gt                6291
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.1287P)²+2.6269P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8052
_refine_ls_number_parameters     1250
_refine_ls_number_restraints     16636
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0719
_refine_ls_wR_factor_ref         0.2131
_refine_ls_wR_factor_gt          0.1946
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      0.691
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1_10 O 0.939(6) 0.608(6) 0.317(3) 0.0469(10) Uani 0.029(3) 1 d D U P A 2
C1_10 C 1.055(4) 0.496(4) 0.3470(18) 0.0289(9) Uani 0.029(3) 1 d D U P A 2
C2_10 C 1.160(5) 0.401(5) 0.3013(19) 0.039(5) Uani 0.029(3) 1 d D U P A 2
F1_10 F 1.094(8) 0.377(9) 0.259(3) 0.040(9) Uani 0.029(3) 1 d D U P A 2
F2_10 F 1.261(7) 0.278(6) 0.328(3) 0.034(9) Uani 0.029(3) 1 d D U P A 2
F3_10 F 1.228(9) 0.471(8) 0.274(3) 0.0679(11) Uani 0.029(3) 1 d D U P A 2
C3_10 C 1.136(5) 0.560(5) 0.379(2) 0.043(6) Uani 0.029(3) 1 d D U P A 2
F4_10 F 1.046(7) 0.658(7) 0.413(3) 0.045(10) Uani 0.029(3) 1 d D U P A 2
F5_10 F 1.193(9) 0.618(8) 0.338(3) 0.048(10) Uani 0.029(3) 1 d D U P A 2
F6_10 F 1.240(7) 0.458(7) 0.415(3) 0.045(10) Uani 0.029(3) 1 d D U P A 2
C4_10 C 1.005(5) 0.416(5) 0.396(2) 0.0418(11) Uani 0.029(3) 1 d D U P A 2
F7_10 F 0.946(8) 0.501(7) 0.440(2) 0.028(7) Uani 0.029(3) 1 d D U P A 2
F8_10 F 1.112(7) 0.295(6) 0.422(3) 0.035(8) Uani 0.029(3) 1 d D U P A 2
F9_10 F 0.904(7) 0.389(8) 0.378(3) 0.040(8) Uani 0.029(3) 1 d D U P A 2
O1_8 O 0.882(5) 0.765(5) 0.1584(17) 0.0261(8) Uani 0.080(5) 1 d D U P A 2
C1_8 C 0.956(3) 0.782(3) 0.1083(12) 0.0271(9) Uani 0.080(5) 1 d D U P A 2
C2_8 C 1.017(3) 0.882(3) 0.1191(12) 0.028(5) Uani 0.080(5) 1 d D U P A 2
F1_8 F 0.918(4) 1.002(4) 0.138(2) 0.035(8) Uani 0.080(5) 1 d D U P A 2
F2_8 F 1.076(4) 0.910(4) 0.0684(13) 0.030(7) Uani 0.080(5) 1 d D U P A 2
F3_8 F 1.123(3) 0.815(4) 0.1603(13) 0.037(7) Uani 0.080(5) 1 d D U P A 2
C3_8 C 1.086(3) 0.635(2) 0.0987(12) 0.036(5) Uani 0.080(5) 1 d D U P A 2
F4_8 F 1.045(4) 0.556(4) 0.0725(17) 0.041(7) Uani 0.080(5) 1 d D U P A 2
F5_8 F 1.150(6) 0.566(5) 0.1514(15) 0.034(8) Uani 0.080(5) 1 d D U P A 2
F6_8 F 1.182(4) 0.652(4) 0.0629(18) 0.041(8) Uani 0.080(5) 1 d D U P A 2
C4_8 C 0.854(3) 0.844(3) 0.0524(15) 0.033(5) Uani 0.080(5) 1 d D U P A 2
F7_8 F 0.762(6) 0.793(6) 0.056(4) 0.032(9) Uani 0.080(5) 1 d D U P A 2
F8_8 F 0.925(6) 0.814(7) 0.0005(17) 0.035(9) Uani 0.080(5) 1 d D U P A 2
F9_8 F 0.779(3) 0.986(3) 0.0497(14) 0.034(6) Uani 0.080(5) 1 d D U P A 2
O1_9 O 0.9135(4) 0.5685(4) 0.34772(18) 0.0469(10) Uani 0.971(3) 1 d D U P A 1
C1_9 C 1.0305(5) 0.4401(5) 0.34729(19) 0.0289(9) Uani 0.971(3) 1 d D U P A 1
C2_9 C 1.1688(6) 0.4564(6) 0.3378(2) 0.0425(12) Uani 0.971(3) 1 d D U P A 1
F1_9 F 1.1436(5) 0.5632(5) 0.29445(18) 0.0679(11) Uani 0.971(3) 1 d D U P A 1
F2_9 F 1.2796(4) 0.3398(5) 0.3232(2) 0.0689(12) Uani 0.971(3) 1 d D U P A 1
F3_9 F 1.2019(4) 0.4910(5) 0.38766(17) 0.0588(10) Uani 0.971(3) 1 d D U P A 1
C3_9 C 1.0375(6) 0.3542(6) 0.4099(2) 0.0418(11) Uani 0.971(3) 1 d D U P A 1
F4_9 F 0.9403(5) 0.3082(5) 0.41342(16) 0.0608(10) Uani 0.971(3) 1 d D U P A 1
F5_9 F 1.0164(5) 0.4307(4) 0.45430(15) 0.0534(9) Uani 0.971(3) 1 d D U P A 1
F6_9 F 1.1648(5) 0.2385(4) 0.41959(17) 0.0623(11) Uani 0.971(3) 1 d D U P A 1
C4_9 C 1.0145(5) 0.3638(5) 0.2960(2) 0.0350(10) Uani 0.971(3) 1 d D U P A 1
F7_9 F 0.8832(4) 0.3790(5) 0.29629(16) 0.0592(10) Uani 0.971(3) 1 d D U P A 1
F8_9 F 1.1068(4) 0.2266(3) 0.30212(15) 0.0529(9) Uani 0.971(3) 1 d D U P A 1
F9_9 F 1.0329(4) 0.4220(4) 0.24231(13) 0.0452(8) Uani 0.971(3) 1 d D U P A 1
O1_7 O 0.8685(5) 0.7847(5) 0.16098(19) 0.0261(8) Uani 0.920(5) 1 d D U P A 1
C1_7 C 0.9535(5) 0.7920(5) 0.1116(2) 0.0271(9) Uani 0.920(5) 1 d D U P A 1
C2_7 C 0.9254(5) 0.9493(5) 0.0994(2) 0.0323(11) Uani 0.920(5) 1 d D U P A 1
F1_7 F 0.8000(4) 1.0302(3) 0.07256(16) 0.0419(8) Uani 0.920(5) 1 d D U P A 1
F2_7 F 1.0266(5) 0.9612(5) 0.06572(17) 0.0412(10) Uani 0.920(5) 1 d D U P A 1
F3_7 F 0.9240(5) 0.9993(5) 0.1520(2) 0.0421(11) Uani 0.920(5) 1 d D U P A 1
C3_7 C 1.1128(5) 0.6907(6) 0.1301(2) 0.0404(12) Uani 0.920(5) 1 d D U P A 1
F4_7 F 1.1315(7) 0.5618(6) 0.1528(2) 0.0564(15) Uani 0.920(5) 1 d D U P A 1
F5_7 F 1.1517(4) 0.7414(5) 0.17366(17) 0.0478(9) Uani 0.920(5) 1 d D U P A 1
F6_7 F 1.1998(4) 0.6766(5) 0.0840(2) 0.0577(12) Uani 0.920(5) 1 d D U P A 1
C4_7 C 0.9130(5) 0.7495(5) 0.0551(2) 0.0336(11) Uani 0.920(5) 1 d D U P A 1
F7_7 F 0.9761(5) 0.6095(4) 0.05512(17) 0.0451(9) Uani 0.920(5) 1 d D U P A 1
F8_7 F 0.9511(6) 0.8056(7) 0.00459(19) 0.0439(13) Uani 0.920(5) 1 d D U P A 1
F9_7 F 0.7719(6) 0.7984(6) 0.0530(3) 0.0370(11) Uani 0.920(5) 1 d D U P A 1
O1_6 O 0.5617(4) 0.9038(4) 0.15134(15) 0.0383(8) Uani 1 1 d D U . . .
C1_6 C 0.4392(4) 1.0286(5) 0.15582(19) 0.0311(9) Uani 1 1 d D U . . .
C2_6 C 0.4066(5) 1.1243(6) 0.0944(2) 0.0460(12) Uani 1 1 d D U . . .
F1_6 F 0.4935(4) 1.1816(5) 0.08633(17) 0.0660(10) Uani 1 1 d D U . . .
F2_6 F 0.2713(4) 1.2294(4) 0.09049(16) 0.0596(10) Uani 1 1 d D U . . .
F3_6 F 0.4237(4) 1.0463(4) 0.04967(14) 0.0631(11) Uani 1 1 d D U . . .
C3_6 C 0.3125(5) 0.9964(6) 0.1732(2) 0.0428(11) Uani 1 1 d D U . . .
F4_6 F 0.3540(5) 0.8880(4) 0.21750(16) 0.0603(9) Uani 1 1 d D U . . .
F5_6 F 0.2728(4) 0.9583(4) 0.12605(16) 0.0577(9) Uani 1 1 d D U . . .
F6_6 F 0.1991(4) 1.1079(4) 0.19194(17) 0.0591(9) Uani 1 1 d D U . . .
C4_6 C 0.4604(5) 1.1055(5) 0.2056(2) 0.0401(11) Uani 1 1 d D U . . .
F7_6 F 0.4546(4) 1.0426(4) 0.26021(13) 0.0467(7) Uani 1 1 d D U . . .
F8_6 F 0.3640(4) 1.2430(3) 0.20218(17) 0.0560(9) Uani 1 1 d D U . . .
F9_6 F 0.5912(3) 1.0973(4) 0.20051(16) 0.0494(8) Uani 1 1 d D U . . .
O1_5 O 0.7445(3) 0.5984(3) 0.15340(14) 0.0294(7) Uani 1 1 d D U . . .
C1_5 C 0.6977(5) 0.5146(5) 0.1308(2) 0.0301(9) Uani 1 1 d D U . . .
C2_5 C 0.8297(5) 0.3659(5) 0.1270(2) 0.0378(11) Uani 1 1 d D U . . .
F1_5 F 0.9450(4) 0.3774(3) 0.10519(16) 0.0492(8) Uani 1 1 d D U . . .
F2_5 F 0.8046(4) 0.2910(3) 0.09072(15) 0.0517(8) Uani 1 1 d D U . . .
F3_5 F 0.8692(3) 0.2898(3) 0.18112(14) 0.0439(7) Uani 1 1 d D U . . .
C3_5 C 0.5864(5) 0.4985(5) 0.1750(2) 0.0399(11) Uani 1 1 d D U . . .
F4_5 F 0.4609(3) 0.6172(4) 0.16784(19) 0.0591(9) Uani 1 1 d D U . . .
F5_5 F 0.6289(4) 0.4753(4) 0.23189(14) 0.0474(7) Uani 1 1 d D U . . .
F6_5 F 0.5653(4) 0.3908(4) 0.16375(18) 0.0599(9) Uani 1 1 d D U . . .
C4_5 C 0.6296(6) 0.5800(6) 0.0671(2) 0.0451(12) Uani 1 1 d D U . . .
F7_5 F 0.5454(4) 0.7203(3) 0.06531(15) 0.0514(8) Uani 1 1 d D U . . .
F8_5 F 0.5500(4) 0.5233(4) 0.05150(16) 0.0583(9) Uani 1 1 d D U . . .
F9_5 F 0.7321(4) 0.5593(4) 0.02565(14) 0.0545(9) Uani 1 1 d D U . . .
O1_4 O 0.640(2) 0.7420(19) 0.3741(10) 0.0294(12) Uani 0.259(8) 1 d D U P A 2
C1_4 C 0.5294(18) 0.7344(15) 0.4065(7) 0.0296(9) Uani 0.259(8) 1 d D U P A 2
C2_4 C 0.5894(17) 0.6569(16) 0.4706(7) 0.043(4) Uani 0.259(8) 1 d D U P A 2
F1_4 F 0.6786(14) 0.5203(14) 0.4681(6) 0.059(4) Uani 0.259(8) 1 d D U P A 2
F2_4 F 0.483(2) 0.673(3) 0.5078(11) 0.049(6) Uani 0.259(8) 1 d D U P A 2
F3_4 F 0.6635(17) 0.7113(19) 0.4935(5) 0.054(4) Uani 0.259(8) 1 d D U P A 2
C3_4 C 0.3997(18) 0.8823(16) 0.4115(7) 0.048(4) Uani 0.259(8) 1 d D U P A 2
F4_4 F 0.356(2) 0.9668(19) 0.3596(6) 0.079(5) Uani 0.259(8) 1 d D U P A 2
F5_4 F 0.4262(19) 0.9504(18) 0.4508(8) 0.066(4) Uani 0.259(8) 1 d D U P A 2
F6_4 F 0.284(3) 0.870(3) 0.4322(11) 0.060(6) Uani 0.259(8) 1 d D U P A 2
C4_4 C 0.4835(18) 0.6439(17) 0.3726(7) 0.041(4) Uani 0.259(8) 1 d D U P A 2
F7_4 F 0.4020(17) 0.7225(17) 0.3248(6) 0.047(3) Uani 0.259(8) 1 d D U P A 2
F8_4 F 0.413(2) 0.588(2) 0.4055(11) 0.042(5) Uani 0.259(8) 1 d D U P A 2
F9_4 F 0.6042(16) 0.5406(19) 0.3537(9) 0.068(4) Uani 0.259(8) 1 d D U P A 2
O1_3 O 0.6161(6) 0.7858(6) 0.3714(3) 0.0294(12) Uani 0.741(8) 1 d D U P A 1
C1_3 C 0.5256(8) 0.7468(7) 0.4055(3) 0.0296(9) Uani 0.741(8) 1 d D U P A 1
C2_3 C 0.5032(8) 0.6338(8) 0.3775(3) 0.0374(17) Uani 0.741(8) 1 d D U P A 1
F1_3 F 0.4875(8) 0.6659(6) 0.3179(2) 0.0529(14) Uani 0.741(8) 1 d D U P A 1
F2_3 F 0.3868(9) 0.6271(9) 0.4004(5) 0.049(2) Uani 0.741(8) 1 d D U P A 1
F3_3 F 0.6167(5) 0.5047(5) 0.3898(3) 0.0559(14) Uani 0.741(8) 1 d D U P A 1
C3_3 C 0.5837(8) 0.6904(8) 0.4712(3) 0.0380(16) Uani 0.741(8) 1 d D U P A 1
F4_3 F 0.5740(6) 0.7958(6) 0.5002(2) 0.0507(13) Uani 0.741(8) 1 d D U P A 1
F5_3 F 0.7212(5) 0.5944(5) 0.4717(2) 0.0527(14) Uani 0.741(8) 1 d D U P A 1
F6_3 F 0.5108(9) 0.6325(10) 0.5032(4) 0.0497(19) Uani 0.741(8) 1 d D U P A 1
C4_3 C 0.3798(8) 0.8882(8) 0.4051(4) 0.0420(18) Uani 0.741(8) 1 d D U P A 1
F7_3 F 0.4056(5) 0.9935(5) 0.4142(3) 0.0567(15) Uani 0.741(8) 1 d D U P A 1
F8_3 F 0.2912(9) 0.8782(11) 0.4474(4) 0.0484(18) Uani 0.741(8) 1 d D U P A 1
F9_3 F 0.3156(5) 0.9214(6) 0.3511(2) 0.0488(13) Uani 0.741(8) 1 d D U P A 1
O1_2 O 0.793(4) 0.880(4) 0.3239(15) 0.0263(10) Uani 0.153(6) 1 d D U P A 2
C1_2 C 0.8370(18) 0.957(2) 0.3546(8) 0.0289(9) Uani 0.153(6) 1 d D U P A 2
C2_2 C 0.917(2) 0.865(2) 0.4139(8) 0.049(4) Uani 0.153(6) 1 d D U P A 2
F1_2 F 0.844(4) 0.802(4) 0.4412(15) 0.054(7) Uani 0.153(6) 1 d D U P A 2
F2_2 F 0.931(4) 0.946(3) 0.4507(13) 0.052(7) Uani 0.153(6) 1 d D U P A 2
F3_2 F 1.049(2) 0.767(3) 0.4028(12) 0.063(6) Uani 0.153(6) 1 d D U P A 2
C3_2 C 0.944(2) 0.990(2) 0.3148(9) 0.054(5) Uani 0.153(6) 1 d D U P A 2
F4_2 F 0.877(3) 1.092(3) 0.2703(10) 0.073(6) Uani 0.153(6) 1 d D U P A 2
F5_2 F 1.037(3) 0.872(3) 0.2918(13) 0.056(6) Uani 0.153(6) 1 d D U P A 2
F6_2 F 1.019(3) 1.032(4) 0.3450(12) 0.071(8) Uani 0.153(6) 1 d D U P A 2
C4_2 C 0.701(2) 1.094(2) 0.3699(10) 0.057(5) Uani 0.153(6) 1 d D U P A 2
F7_2 F 0.615(3) 1.158(3) 0.3220(12) 0.052(7) Uani 0.153(6) 1 d D U P A 2
F8_2 F 0.730(4) 1.185(4) 0.3928(16) 0.062(8) Uani 0.153(6) 1 d D U P A 2
F9_2 F 0.630(3) 1.053(3) 0.4121(12) 0.076(6) Uani 0.153(6) 1 d D U P A 2
O1_1 O 0.8209(5) 0.8675(6) 0.3197(3) 0.0263(10) Uani 0.847(6) 1 d D U P A 1
C1_1 C 0.8411(6) 0.9522(6) 0.3568(2) 0.0289(9) Uani 0.847(6) 1 d D U P A 1
C2_1 C 0.9988(6) 0.9271(6) 0.3481(3) 0.0369(13) Uani 0.847(6) 1 d D U P A 1
F1_1 F 1.0901(4) 0.8014(4) 0.3758(2) 0.0499(11) Uani 0.847(6) 1 d D U P A 1
F2_1 F 1.0155(5) 1.0290(5) 0.3692(2) 0.0442(11) Uani 0.847(6) 1 d D U P A 1
F3_1 F 1.0327(6) 0.9281(6) 0.2899(2) 0.0488(12) Uani 0.847(6) 1 d D U P A 1
C3_1 C 0.7325(6) 1.1102(6) 0.3368(3) 0.0430(14) Uani 0.847(6) 1 d D U P A 1
F4_1 F 0.6011(6) 1.1256(7) 0.3335(3) 0.0592(17) Uani 0.847(6) 1 d D U P A 1
F5_1 F 0.7690(5) 1.1522(4) 0.28255(18) 0.0524(11) Uani 0.847(6) 1 d D U P A 1
F6_1 F 0.7345(8) 1.1953(6) 0.3743(3) 0.0582(17) Uani 0.847(6) 1 d D U P A 1
C4_1 C 0.8208(7) 0.9118(6) 0.4246(3) 0.0398(13) Uani 0.847(6) 1 d D U P A 1
F7_1 F 0.6833(5) 0.9750(5) 0.4395(2) 0.0507(11) Uani 0.847(6) 1 d D U P A 1
F8_1 F 0.8924(7) 0.9456(7) 0.4605(3) 0.0504(14) Uani 0.847(6) 1 d D U P A 1
F9_1 F 0.8715(7) 0.7685(6) 0.4341(3) 0.0485(14) Uani 0.847(6) 1 d D U P A 1
Al1 Al 0.71536(12) 0.75692(13) 0.17239(5) 0.0207(3) Uani 1 1 d . . . . .
Al2 Al 0.77097(13) 0.72977(13) 0.33066(5) 0.0213(3) Uani 1 1 d . . . . .
F1 F 0.7237(3) 0.7386(3) 0.25350(10) 0.0262(5) Uani 1 1 d . . . . .
Cu1 Cu 0.88819(9) 0.86304(9) 0.23528(3) 0.0328(3) Uani 0.879(2) 1 d . . P A 1
Cu2 Cu 0.9973(10) 0.6801(11) 0.2367(4) 0.0328(3) Uani 0.0736(17) 1 d . U P A 2
Ag3 Ag 1.0102(9) 0.7426(9) 0.2513(3) 0.0328(3) Uani 0.0446(10) 1 d . U P A 3


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_10 C1_10 1.373(15) . ?
O1_10 Al2 1.67(5) . ?
O1_10 Cu2 2.03(7) . ?
C1_10 C4_10 1.540(13) . ?
C1_10 C2_10 1.544(13) . ?
C1_10 C3_10 1.568(13) . ?
C2_10 F1_10 1.323(14) . ?
C2_10 F2_10 1.324(14) . ?
C2_10 F3_10 1.340(14) . ?
C3_10 F5_10 1.321(14) . ?
C3_10 F4_10 1.324(14) . ?
C3_10 F6_10 1.325(14) . ?
C4_10 F9_10 1.323(14) . ?
C4_10 F8_10 1.327(14) . ?
C4_10 F7_10 1.340(14) . ?
O1_8 C1_8 1.372(14) . ?
O1_8 Al1 1.81(4) . ?
O1_8 Cu2 2.03(5) . ?
C1_8 C4_8 1.544(13) . ?
C1_8 C3_8 1.554(13) . ?
C1_8 C2_8 1.555(13) . ?
C2_8 F1_8 1.319(14) . ?
C2_8 F2_8 1.328(14) . ?
C2_8 F3_8 1.329(14) . ?
C3_8 F4_8 1.320(14) . ?
C3_8 F5_8 1.326(14) . ?
C3_8 F6_8 1.332(14) . ?
C4_8 F9_8 1.328(14) . ?
C4_8 F7_8 1.328(14) . ?
C4_8 F8_8 1.330(14) . ?
O1_9 C1_9 1.343(5) . ?
O1_9 Al2 1.676(4) . ?
C1_9 C4_9 1.550(6) . ?
C1_9 C2_9 1.554(6) . ?
C1_9 C3_9 1.554(7) . ?
C2_9 F2_9 1.307(6) . ?
C2_9 F3_9 1.329(6) . ?
C2_9 F1_9 1.330(7) . ?
C3_9 F5_9 1.311(6) . ?
C3_9 F6_9 1.328(6) . ?
C3_9 F4_9 1.331(7) . ?
C4_9 F8_9 1.316(6) . ?
C4_9 F7_9 1.317(6) . ?
C4_9 F9_9 1.326(6) . ?
O1_7 C1_7 1.403(5) . ?
O1_7 Al1 1.781(4) . ?
O1_7 Cu1 2.014(5) . ?
C1_7 C4_7 1.537(6) . ?
C1_7 C3_7 1.546(6) . ?
C1_7 C2_7 1.559(6) . ?
C2_7 F1_7 1.309(6) . ?
C2_7 F2_7 1.323(6) . ?
C2_7 F3_7 1.348(6) . ?
F3_7 Cu1 2.343(5) . ?
C3_7 F6_7 1.317(6) . ?
C3_7 F4_7 1.335(8) . ?
C3_7 F5_7 1.341(6) . ?
C4_7 F7_7 1.323(6) . ?
C4_7 F9_7 1.324(7) . ?
C4_7 F8_7 1.344(7) . ?
O1_6 C1_6 1.359(5) . ?
O1_6 Al1 1.669(3) . ?
C1_6 C2_6 1.548(6) . ?
C1_6 C4_6 1.550(6) . ?
C1_6 C3_6 1.554(7) . ?
C2_6 F1_6 1.323(7) . ?
C2_6 F2_6 1.331(6) . ?
C2_6 F3_6 1.335(6) . ?
C3_6 F6_6 1.324(6) . ?
C3_6 F5_6 1.330(6) . ?
C3_6 F4_6 1.336(6) . ?
C4_6 F7_6 1.329(6) . ?
C4_6 F8_6 1.329(6) . ?
C4_6 F9_6 1.341(6) . ?
O1_5 C1_5 1.370(5) . ?
O1_5 Al1 1.687(3) . ?
C1_5 C4_5 1.546(6) . ?
C1_5 C2_5 1.549(6) . ?
C1_5 C3_5 1.554(6) . ?
C2_5 F2_5 1.329(5) . ?
C2_5 F3_5 1.330(6) . ?
C2_5 F1_5 1.343(6) . ?
C3_5 F5_5 1.319(6) . ?
C3_5 F4_5 1.328(6) . ?
C3_5 F6_5 1.334(6) . ?
C4_5 F8_5 1.331(6) . ?
C4_5 F7_5 1.332(6) . ?
C4_5 F9_5 1.340(7) . ?
O1_4 C1_4 1.373(13) . ?
O1_4 Al2 1.610(16) . ?
C1_4 C3_4 1.538(12) . ?
C1_4 C2_4 1.555(12) . ?
C1_4 C4_4 1.557(12) . ?
C2_4 F1_4 1.320(13) . ?
C2_4 F2_4 1.320(13) . ?
C2_4 F3_4 1.331(13) . ?
C3_4 F4_4 1.326(13) . ?
C3_4 F5_4 1.329(13) . ?
C3_4 F6_4 1.346(13) . ?
C4_4 F8_4 1.312(13) . ?
C4_4 F9_4 1.322(13) . ?
C4_4 F7_4 1.325(13) . ?
O1_3 C1_3 1.377(7) . ?
O1_3 Al2 1.706(6) . ?
C1_3 C3_3 1.548(8) . ?
C1_3 C2_3 1.551(8) . ?
C1_3 C4_3 1.563(8) . ?
C2_3 F1_3 1.327(8) . ?
C2_3 F3_3 1.336(8) . ?
C2_3 F2_3 1.337(8) . ?
C3_3 F5_3 1.320(8) . ?
C3_3 F6_3 1.334(8) . ?
C3_3 F4_3 1.335(8) . ?
C4_3 F7_3 1.324(8) . ?
C4_3 F8_3 1.325(8) . ?
C4_3 F9_3 1.334(8) . ?
O1_2 C1_2 1.384(14) . ?
O1_2 Al2 1.72(3) . ?
C1_2 C3_2 1.545(13) . ?
C1_2 C4_2 1.548(13) . ?
C1_2 C2_2 1.552(13) . ?
C2_2 F3_2 1.325(14) . ?
C2_2 F1_2 1.327(14) . ?
C2_2 F2_2 1.329(14) . ?
C3_2 F4_2 1.313(13) . ?
C3_2 F6_2 1.328(14) . ?
C3_2 F5_2 1.333(14) . ?
C4_2 F8_2 1.321(14) . ?
C4_2 F7_2 1.322(14) . ?
C4_2 F9_2 1.332(14) . ?
O1_1 C1_1 1.399(6) . ?
O1_1 Al2 1.780(5) . ?
O1_1 Cu1 1.975(6) . ?
C1_1 C3_1 1.547(7) . ?
C1_1 C4_1 1.551(7) . ?
C1_1 C2_1 1.560(7) . ?
C2_1 F1_1 1.317(7) . ?
C2_1 F3_1 1.329(7) . ?
C2_1 F2_1 1.333(6) . ?
F3_1 Cu1 2.394(5) . ?
C3_1 F4_1 1.323(8) . ?
C3_1 F6_1 1.324(7) . ?
C3_1 F5_1 1.338(7) . ?
C4_1 F8_1 1.319(7) . ?
C4_1 F7_1 1.323(7) . ?
C4_1 F9_1 1.357(7) . ?
Al1 F1 1.795(3) . ?
Al2 F1 1.793(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_10 O1_10 Al2 139(4) . . ?
C1_10 O1_10 Cu2 111(3) . . ?
Al2 O1_10 Cu2 107(2) . . ?
O1_10 C1_10 C4_10 110.2(16) . . ?
O1_10 C1_10 C2_10 109.6(16) . . ?
C4_10 C1_10 C2_10 113.9(15) . . ?
O1_10 C1_10 C3_10 107.5(16) . . ?
C4_10 C1_10 C3_10 107.9(14) . . ?
C2_10 C1_10 C3_10 107.5(14) . . ?
F1_10 C2_10 F2_10 109.8(19) . . ?
F1_10 C2_10 F3_10 107.7(18) . . ?
F2_10 C2_10 F3_10 106.8(18) . . ?
F1_10 C2_10 C1_10 113(2) . . ?
F2_10 C2_10 C1_10 112(2) . . ?
F3_10 C2_10 C1_10 107(2) . . ?
F5_10 C3_10 F4_10 109.7(19) . . ?
F5_10 C3_10 F6_10 108.8(19) . . ?
F4_10 C3_10 F6_10 107.9(18) . . ?
F5_10 C3_10 C1_10 109.4(19) . . ?
F4_10 C3_10 C1_10 111(2) . . ?
F6_10 C3_10 C1_10 110(2) . . ?
F3_2 F4_10 C3_10 113(5) . . ?
F9_10 C4_10 F8_10 108.7(18) . . ?
F9_10 C4_10 F7_10 106.8(18) . . ?
F8_10 C4_10 F7_10 106.5(18) . . ?
F9_10 C4_10 C1_10 114(2) . . ?
F8_10 C4_10 C1_10 114(2) . . ?
F7_10 C4_10 C1_10 106.5(19) . . ?
C1_8 O1_8 Al1 136(3) . . ?
C1_8 O1_8 Cu2 116(2) . . ?
Al1 O1_8 Cu2 105.9(14) . . ?
O1_8 C1_8 C4_8 109.9(16) . . ?
O1_8 C1_8 C3_8 109.0(16) . . ?
C4_8 C1_8 C3_8 111.0(14) . . ?
O1_8 C1_8 C2_8 109.8(16) . . ?
C4_8 C1_8 C2_8 109.9(13) . . ?
C3_8 C1_8 C2_8 107.2(13) . . ?
F1_8 C2_8 F2_8 110.7(18) . . ?
F1_8 C2_8 F3_8 109.0(18) . . ?
F2_8 C2_8 F3_8 106.8(17) . . ?
F1_8 C2_8 C1_8 112.0(19) . . ?
F2_8 C2_8 C1_8 109.4(17) . . ?
F3_8 C2_8 C1_8 108.8(17) . . ?
F4_8 C3_8 F5_8 109.8(18) . . ?
F4_8 C3_8 F6_8 107.5(17) . . ?
F5_8 C3_8 F6_8 108.0(18) . . ?
F4_8 C3_8 C1_8 111.3(17) . . ?
F5_8 C3_8 C1_8 109.8(19) . . ?
F6_8 C3_8 C1_8 110.4(17) . . ?
F9_8 C4_8 F7_8 108.0(18) . . ?
F9_8 C4_8 F8_8 107.5(18) . . ?
F7_8 C4_8 F8_8 107.9(18) . . ?
F9_8 C4_8 C1_8 110.5(16) . . ?
F7_8 C4_8 C1_8 110(2) . . ?
F8_8 C4_8 C1_8 113(2) . . ?
C1_9 O1_9 Al2 166.6(4) . . ?
O1_9 C1_9 C4_9 109.4(4) . . ?
O1_9 C1_9 C2_9 110.5(4) . . ?
C4_9 C1_9 C2_9 109.9(4) . . ?
O1_9 C1_9 C3_9 106.7(4) . . ?
C4_9 C1_9 C3_9 110.2(4) . . ?
C2_9 C1_9 C3_9 110.1(4) . . ?
F2_9 C2_9 F3_9 108.5(4) . . ?
F2_9 C2_9 F1_9 109.5(5) . . ?
F3_9 C2_9 F1_9 106.7(5) . . ?
F2_9 C2_9 C1_9 112.4(4) . . ?
F3_9 C2_9 C1_9 110.5(4) . . ?
F1_9 C2_9 C1_9 109.0(4) . . ?
F5_9 C3_9 F6_9 107.3(4) . . ?
F5_9 C3_9 F4_9 108.6(5) . . ?
F6_9 C3_9 F4_9 106.1(5) . . ?
F5_9 C3_9 C1_9 111.6(4) . . ?
F6_9 C3_9 C1_9 111.6(4) . . ?
F4_9 C3_9 C1_9 111.5(4) . . ?
F8_9 C4_9 F7_9 108.4(4) . . ?
F8_9 C4_9 F9_9 108.8(4) . . ?
F7_9 C4_9 F9_9 107.2(4) . . ?
F8_9 C4_9 C1_9 112.2(4) . . ?
F7_9 C4_9 C1_9 109.4(4) . . ?
F9_9 C4_9 C1_9 110.8(4) . . ?
C1_7 O1_7 Al1 136.0(4) . . ?
C1_7 O1_7 Cu1 116.0(3) . . ?
Al1 O1_7 Cu1 106.45(18) . . ?
O1_7 C1_7 C4_7 111.0(4) . . ?
O1_7 C1_7 C3_7 107.5(4) . . ?
C4_7 C1_7 C3_7 110.9(4) . . ?
O1_7 C1_7 C2_7 107.0(4) . . ?
C4_7 C1_7 C2_7 109.9(4) . . ?
C3_7 C1_7 C2_7 110.4(4) . . ?
F1_7 C2_7 F2_7 109.2(4) . . ?
F1_7 C2_7 F3_7 108.1(4) . . ?
F2_7 C2_7 F3_7 107.0(4) . . ?
F1_7 C2_7 C1_7 110.1(4) . . ?
F2_7 C2_7 C1_7 112.2(4) . . ?
F3_7 C2_7 C1_7 110.2(4) . . ?
C2_7 F3_7 Cu1 112.2(3) . . ?
F6_7 C3_7 F4_7 108.7(5) . . ?
F6_7 C3_7 F5_7 108.5(5) . . ?
F4_7 C3_7 F5_7 106.8(5) . . ?
F6_7 C3_7 C1_7 111.8(4) . . ?
F4_7 C3_7 C1_7 110.9(5) . . ?
F5_7 C3_7 C1_7 110.0(4) . . ?
F7_7 C4_7 F9_7 107.9(5) . . ?
F7_7 C4_7 F8_7 108.2(4) . . ?
F9_7 C4_7 F8_7 108.1(5) . . ?
F7_7 C4_7 C1_7 112.1(4) . . ?
F9_7 C4_7 C1_7 109.8(5) . . ?
F8_7 C4_7 C1_7 110.6(4) . . ?
C1_6 O1_6 Al1 159.0(3) . . ?
O1_6 C1_6 C2_6 109.3(4) . . ?
O1_6 C1_6 C4_6 109.2(3) . . ?
C2_6 C1_6 C4_6 109.5(4) . . ?
O1_6 C1_6 C3_6 109.2(4) . . ?
C2_6 C1_6 C3_6 110.1(4) . . ?
C4_6 C1_6 C3_6 109.5(4) . . ?
F1_6 C2_6 F2_6 108.2(5) . . ?
F1_6 C2_6 F3_6 109.6(4) . . ?
F2_6 C2_6 F3_6 106.7(4) . . ?
F1_6 C2_6 C1_6 110.6(4) . . ?
F2_6 C2_6 C1_6 112.1(4) . . ?
F3_6 C2_6 C1_6 109.4(4) . . ?
F6_6 C3_6 F5_6 108.6(4) . . ?
F6_6 C3_6 F4_6 108.2(4) . . ?
F5_6 C3_6 F4_6 107.5(5) . . ?
F6_6 C3_6 C1_6 112.0(4) . . ?
F5_6 C3_6 C1_6 110.3(4) . . ?
F4_6 C3_6 C1_6 110.0(4) . . ?
F7_6 C4_6 F8_6 108.7(4) . . ?
F7_6 C4_6 F9_6 107.1(4) . . ?
F8_6 C4_6 F9_6 107.4(4) . . ?
F7_6 C4_6 C1_6 110.6(4) . . ?
F8_6 C4_6 C1_6 113.2(4) . . ?
F9_6 C4_6 C1_6 109.7(4) . . ?
C1_5 O1_5 Al1 151.3(3) . . ?
O1_5 C1_5 C4_5 110.8(4) . . ?
O1_5 C1_5 C2_5 107.8(3) . . ?
C4_5 C1_5 C2_5 109.5(4) . . ?
O1_5 C1_5 C3_5 108.9(4) . . ?
C4_5 C1_5 C3_5 110.5(4) . . ?
C2_5 C1_5 C3_5 109.2(4) . . ?
F2_5 C2_5 F3_5 108.4(4) . . ?
F2_5 C2_5 F1_5 106.9(4) . . ?
F3_5 C2_5 F1_5 106.1(4) . . ?
F2_5 C2_5 C1_5 112.0(4) . . ?
F3_5 C2_5 C1_5 111.8(4) . . ?
F1_5 C2_5 C1_5 111.3(4) . . ?
F5_5 C3_5 F4_5 108.6(4) . . ?
F5_5 C3_5 F6_5 108.3(4) . . ?
F4_5 C3_5 F6_5 107.8(4) . . ?
F5_5 C3_5 C1_5 111.6(4) . . ?
F4_5 C3_5 C1_5 109.3(4) . . ?
F6_5 C3_5 C1_5 111.1(4) . . ?
F8_5 C4_5 F7_5 108.1(4) . . ?
F8_5 C4_5 F9_5 108.9(4) . . ?
F7_5 C4_5 F9_5 107.2(4) . . ?
F8_5 C4_5 C1_5 111.4(4) . . ?
F7_5 C4_5 C1_5 110.6(4) . . ?
F9_5 C4_5 C1_5 110.6(4) . . ?
C1_4 O1_4 Al2 170.4(16) . . ?
O1_4 C1_4 C3_4 112.5(12) . . ?
O1_4 C1_4 C2_4 107.5(12) . . ?
C3_4 C1_4 C2_4 110.1(10) . . ?
O1_4 C1_4 C4_4 106.6(12) . . ?
C3_4 C1_4 C4_4 109.9(10) . . ?
C2_4 C1_4 C4_4 110.2(10) . . ?
F1_4 C2_4 F2_4 110.5(14) . . ?
F1_4 C2_4 F3_4 107.0(13) . . ?
F2_4 C2_4 F3_4 107.4(14) . . ?
F1_4 C2_4 C1_4 110.6(11) . . ?
F2_4 C2_4 C1_4 110.3(14) . . ?
F3_4 C2_4 C1_4 110.7(12) . . ?
F4_4 C3_4 F5_4 108.6(14) . . ?
F4_4 C3_4 F6_4 104.8(15) . . ?
F5_4 C3_4 F6_4 106.3(15) . . ?
F4_4 C3_4 C1_4 114.8(13) . . ?
F5_4 C3_4 C1_4 111.3(12) . . ?
F6_4 C3_4 C1_4 110.5(16) . . ?
F8_4 C4_4 F9_4 109.2(15) . . ?
F8_4 C4_4 F7_4 107.7(14) . . ?
F9_4 C4_4 F7_4 108.7(14) . . ?
F8_4 C4_4 C1_4 114.9(15) . . ?
F9_4 C4_4 C1_4 105.9(12) . . ?
F7_4 C4_4 C1_4 110.3(12) . . ?
C1_3 O1_3 Al2 146.4(5) . . ?
O1_3 C1_3 C3_3 110.6(6) . . ?
O1_3 C1_3 C2_3 112.0(5) . . ?
C3_3 C1_3 C2_3 110.1(5) . . ?
O1_3 C1_3 C4_3 104.4(5) . . ?
C3_3 C1_3 C4_3 109.6(5) . . ?
C2_3 C1_3 C4_3 109.9(6) . . ?
F1_3 C2_3 F3_3 108.7(6) . . ?
F1_3 C2_3 F2_3 109.2(7) . . ?
F3_3 C2_3 F2_3 107.7(7) . . ?
F1_3 C2_3 C1_3 110.0(6) . . ?
F3_3 C2_3 C1_3 110.3(6) . . ?
F2_3 C2_3 C1_3 110.9(7) . . ?
F5_3 C3_3 F6_3 108.7(7) . . ?
F5_3 C3_3 F4_3 106.8(6) . . ?
F6_3 C3_3 F4_3 107.3(7) . . ?
F5_3 C3_3 C1_3 110.7(6) . . ?
F6_3 C3_3 C1_3 112.3(7) . . ?
F4_3 C3_3 C1_3 110.8(6) . . ?
F7_3 C4_3 F8_3 108.9(7) . . ?
F7_3 C4_3 F9_3 107.7(6) . . ?
F8_3 C4_3 F9_3 109.0(7) . . ?
F7_3 C4_3 C1_3 109.3(6) . . ?
F8_3 C4_3 C1_3 112.2(7) . . ?
F9_3 C4_3 C1_3 109.6(6) . . ?
C1_2 O1_2 Al2 144(2) . . ?
O1_2 C1_2 C3_2 108.9(15) . . ?
O1_2 C1_2 C4_2 108.1(14) . . ?
C3_2 C1_2 C4_2 112.4(12) . . ?
O1_2 C1_2 C2_2 109.2(15) . . ?
C3_2 C1_2 C2_2 108.3(11) . . ?
C4_2 C1_2 C2_2 109.9(12) . . ?
F3_2 C2_2 F1_2 109.5(17) . . ?
F3_2 C2_2 F2_2 106.1(16) . . ?
F1_2 C2_2 F2_2 109.7(17) . . ?
F3_2 C2_2 C1_2 111.3(15) . . ?
F1_2 C2_2 C1_2 109.8(17) . . ?
F2_2 C2_2 C1_2 110.4(16) . . ?
F4_10 F3_2 C2_2 104(4) . . ?
F4_2 C3_2 F6_2 106.9(16) . . ?
F4_2 C3_2 F5_2 109.1(16) . . ?
F6_2 C3_2 F5_2 107.0(16) . . ?
F4_2 C3_2 C1_2 111.6(15) . . ?
F6_2 C3_2 C1_2 113.7(16) . . ?
F5_2 C3_2 C1_2 108.3(15) . . ?
F8_2 C4_2 F7_2 109.7(17) . . ?
F8_2 C4_2 F9_2 106.7(16) . . ?
F7_2 C4_2 F9_2 107.9(17) . . ?
F8_2 C4_2 C1_2 114.0(18) . . ?
F7_2 C4_2 C1_2 111.1(16) . . ?
F9_2 C4_2 C1_2 107.0(15) . . ?
C1_1 O1_1 Al2 135.9(4) . . ?
C1_1 O1_1 Cu1 119.5(4) . . ?
Al2 O1_1 Cu1 103.8(2) . . ?
O1_1 C1_1 C3_1 108.3(5) . . ?
O1_1 C1_1 C4_1 111.9(5) . . ?
C3_1 C1_1 C4_1 110.3(5) . . ?
O1_1 C1_1 C2_1 107.6(4) . . ?
C3_1 C1_1 C2_1 110.3(5) . . ?
C4_1 C1_1 C2_1 108.4(5) . . ?
F1_1 C2_1 F3_1 107.3(5) . . ?
F1_1 C2_1 F2_1 109.8(5) . . ?
F3_1 C2_1 F2_1 107.4(5) . . ?
F1_1 C2_1 C1_1 110.1(5) . . ?
F3_1 C2_1 C1_1 110.9(5) . . ?
F2_1 C2_1 C1_1 111.2(4) . . ?
C2_1 F3_1 Cu1 110.0(3) . . ?
F4_1 C3_1 F6_1 109.8(6) . . ?
F4_1 C3_1 F5_1 109.4(6) . . ?
F6_1 C3_1 F5_1 106.2(5) . . ?
F4_1 C3_1 C1_1 110.0(5) . . ?
F6_1 C3_1 C1_1 111.5(5) . . ?
F5_1 C3_1 C1_1 109.8(5) . . ?
F8_1 C4_1 F7_1 108.5(5) . . ?
F8_1 C4_1 F9_1 108.5(6) . . ?
F7_1 C4_1 F9_1 108.4(5) . . ?
F8_1 C4_1 C1_1 112.0(5) . . ?
F7_1 C4_1 C1_1 111.4(5) . . ?
F9_1 C4_1 C1_1 107.9(5) . . ?
O1_6 Al1 O1_5 119.62(17) . . ?
O1_6 Al1 O1_7 112.5(2) . . ?
O1_5 Al1 O1_7 113.01(19) . . ?
O1_6 Al1 F1 106.55(15) . . ?
O1_5 Al1 F1 106.56(14) . . ?
O1_7 Al1 F1 95.26(17) . . ?
O1_6 Al1 O1_8 117.6(15) . . ?
O1_5 Al1 O1_8 106.5(15) . . ?
F1 Al1 O1_8 97.1(13) . . ?
O1_4 Al2 O1_10 138(2) . . ?
O1_9 Al2 O1_3 121.9(3) . . ?
O1_4 Al2 O1_2 113.0(13) . . ?
O1_10 Al2 O1_2 100(3) . . ?
O1_9 Al2 O1_1 112.0(3) . . ?
O1_3 Al2 O1_1 109.2(3) . . ?
O1_4 Al2 F1 109.8(9) . . ?
O1_10 Al2 F1 88.8(19) . . ?
O1_9 Al2 F1 106.26(16) . . ?
O1_3 Al2 F1 107.2(3) . . ?
O1_2 Al2 F1 98.4(11) . . ?
O1_1 Al2 F1 97.3(2) . . ?
O1_9 Al2 Cu1 101.80(17) . . ?
O1_3 Al2 Cu1 135.82(19) . . ?
O1_1 Al2 Cu1 40.44(17) . . ?
F1 Al2 Cu1 62.01(9) . . ?
O1_4 Al2 Cu2 169.9(8) . . ?
O1_10 Al2 Cu2 40(2) . . ?
O1_2 Al2 Cu2 75.1(11) . . ?
F1 Al2 Cu2 61.9(2) . . ?
F1 Al2 Ag3 72.55(17) . . ?
Al2 F1 Al1 164.91(16) . . ?
O1_1 Cu1 O1_7 136.83(17) . . ?
O1_1 Cu1 F3_7 143.76(19) . . ?
O1_7 Cu1 F3_7 73.49(15) . . ?
O1_1 Cu1 F3_1 73.87(17) . . ?
O1_7 Cu1 F3_1 146.66(16) . . ?
F3_7 Cu1 F3_1 85.10(17) . . ?
O1_1 Cu1 Al2 35.77(14) . . ?
O1_7 Cu1 Al2 102.21(12) . . ?
F3_7 Cu1 Al2 166.40(13) . . ?
F3_1 Cu1 Al2 103.97(12) . . ?
O1_8 Cu2 O1_10 128.0(17) . . ?
O1_8 Cu2 Al2 103.2(9) . . ?
O1_10 Cu2 Al2 32.1(13) . . ?

_refine_diff_density_max         0.931
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.128

####################################################################### 
# 
# 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_2018_02_27_MD22B_K_twin
_database_code_depnum_ccdc_archive 'CCDC 1960459'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT089_2018_02_27_MD22B_K_twin 
;
PROBLEM: Poor Data / Parameter Ratio (Zmax < 18) ........       5.21 Note  
RESPONSE: That is the result of highly disordered OC(CF3)3 groups. However,
there have been resonable restraints and constraints on its geometry applied.
;
_vrf_PLAT340_2018_02_27_MD22B_K_twin 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01479 Ang.  
RESPONSE: The precision is affected by high degree of disorder in 
-OC(CF3)3 groups.
;
# end Validation Reply Form 
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H4 Al F36 N O4'
_chemical_formula_weight         985.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   9.6278(4)
_cell_length_b                   10.5021(4)
_cell_length_c                   16.8670(4)
_cell_angle_alpha                81.237(3)
_cell_angle_beta                 73.421(3)
_cell_angle_gamma                62.778(4)
_cell_volume                     1453.04(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    33363
_cell_measurement_theta_min      2.7140
_cell_measurement_theta_max      71.4300

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.252
_exptl_crystal_F_000             952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.163
_shelx_estimated_absorpt_T_min   0.585
_shelx_estimated_absorpt_T_max   0.786
_exptl_absorpt_correction_T_min  0.70275
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10469
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.734
_diffrn_reflns_theta_max         72.051
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             10469
_reflns_number_gt                10310
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.978
_reflns_Friedel_fraction_max     0.968
_reflns_Friedel_fraction_full    0.988

_reflns_special_details          
;
 _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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0914P)²+2.6562P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4598 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.02(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         10469
_refine_ls_number_parameters     1078
_refine_ls_number_restraints     10498
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1506
_refine_ls_wR_factor_gt          0.1498
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      0.903
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001

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
Al1 Al 0.9225(3) 0.8292(3) 0.25456(18) 0.0216(6) Uani 1 1 d . . . . .
N1 N 0.3042(14) 0.2177(12) 0.3877(7) 0.043(3) Uani 1 1 d D U . . .
H3 H 0.241(12) 0.259(11) 0.434(4) 0.05(2) Uiso 1 1 d D U . . .
H2 H 0.337(12) 0.125(3) 0.394(7) 0.05(2) Uiso 1 1 d D U . . .
H1 H 0.387(8) 0.237(11) 0.373(6) 0.04(2) Uiso 1 1 d D U . . .
Al2 Al 0.0932(4) 0.3137(4) 0.75092(19) 0.0229(5) Uani 1 1 d . . . . .
N2 N 0.1985(16) -0.3049(13) 0.9024(7) 0.051(3) Uani 1 1 d D U . . .
H7 H 0.155(13) -0.301(13) 0.9554(18) 0.07(2) Uiso 1 1 d D U . . .
H6 H 0.210(15) -0.382(8) 0.883(7) 0.07(2) Uiso 1 1 d D U . . .
H5 H 0.137(12) -0.230(8) 0.877(7) 0.07(2) Uiso 1 1 d D U . . .
O1_1 O 0.7785(10) 0.7990(8) 0.3310(4) 0.0268(15) Uani 1 1 d D U . . .
C1_1 C 0.7466(10) 0.7271(9) 0.4037(5) 0.0268(19) Uani 1 1 d D U . . .
C2_1 C 0.5656(11) 0.7623(12) 0.4267(6) 0.038(2) Uani 1 1 d D U . . .
F1_1 F 0.4778(10) 0.9011(8) 0.4147(5) 0.0492(19) Uani 1 1 d D U . . .
F2_1 F 0.5147(9) 0.7275(9) 0.5054(4) 0.0450(18) Uani 1 1 d D U . . .
F3_1 F 0.5382(10) 0.6881(9) 0.3789(5) 0.0471(18) Uani 1 1 d D U . . .
C3_1 C 0.8450(13) 0.5630(10) 0.3956(6) 0.037(2) Uani 1 1 d D U . . .
F4_1 F 1.0002(9) 0.5211(8) 0.3946(4) 0.0418(16) Uani 1 1 d D U . . .
F5_1 F 0.8489(10) 0.5216(7) 0.3234(4) 0.0412(16) Uani 1 1 d D U . . .
F6_1 F 0.7893(10) 0.4876(7) 0.4552(4) 0.0430(17) Uani 1 1 d D U . . .
C4_1 C 0.7851(14) 0.7764(11) 0.4734(5) 0.038(2) Uani 1 1 d D U . . .
F7_1 F 0.9275(10) 0.7806(9) 0.4478(5) 0.0484(19) Uani 1 1 d D U . . .
F8_1 F 0.7908(11) 0.6895(10) 0.5407(4) 0.051(2) Uani 1 1 d D U . . .
F9_1 F 0.6749(12) 0.9091(8) 0.4969(5) 0.054(2) Uani 1 1 d D U . . .
O1_2 O 0.8452(9) 0.8961(8) 0.1685(4) 0.0275(15) Uani 1 1 d D U . . .
C1_2 C 0.7541(10) 0.8866(8) 0.1237(5) 0.0245(18) Uani 1 1 d D U . . .
C2_2 C 0.5738(10) 0.9557(10) 0.1691(5) 0.029(2) Uani 1 1 d D U . . .
F1_2 F 0.5371(9) 0.8630(8) 0.2270(4) 0.0368(15) Uani 1 1 d D U . . .
F2_2 F 0.4752(9) 0.9944(9) 0.1197(4) 0.0405(15) Uani 1 1 d D U . . .
F3_2 F 0.5388(9) 1.0694(7) 0.2104(4) 0.0394(15) Uani 1 1 d D U . . .
C3_2 C 0.7782(12) 0.9697(10) 0.0405(5) 0.030(2) Uani 1 1 d D U . . .
F4_2 F 0.9327(8) 0.9359(8) 0.0073(4) 0.0378(15) Uani 1 1 d D U . . .
F5_2 F 0.7032(9) 1.1101(7) 0.0511(4) 0.0387(15) Uani 1 1 d D U . . .
F6_2 F 0.7210(10) 0.9428(8) -0.0160(4) 0.0399(16) Uani 1 1 d D U . . .
C4_2 C 0.8038(12) 0.7291(9) 0.1053(5) 0.031(2) Uani 1 1 d D U . . .
F7_2 F 0.9423(8) 0.6772(7) 0.0455(4) 0.0337(14) Uani 1 1 d D U . . .
F8_2 F 0.6943(9) 0.7112(8) 0.0807(4) 0.0375(15) Uani 1 1 d D U . . .
F9_2 F 0.8325(9) 0.6451(7) 0.1720(4) 0.0366(15) Uani 1 1 d D U . . .
O1_3 O 1.0963(9) 0.6687(8) 0.2337(4) 0.0268(15) Uani 1 1 d D U . . .
C1_3 C 1.2558(10) 0.6062(9) 0.2007(5) 0.0273(19) Uani 1 1 d D U . . .
C2_3 C 1.3008(12) 0.4593(10) 0.1680(6) 0.037(2) Uani 1 1 d D U . . .
F1_3 F 1.2263(10) 0.3895(8) 0.2233(5) 0.0478(17) Uani 1 1 d D U . . .
F2_3 F 1.4601(9) 0.3728(9) 0.1524(6) 0.052(2) Uani 1 1 d D U . . .
F3_3 F 1.2533(11) 0.4743(9) 0.0990(5) 0.053(2) Uani 1 1 d D U . . .
C3_3 C 1.3045(12) 0.6994(11) 0.1281(5) 0.034(2) Uani 1 1 d D U . . .
F4_3 F 1.3065(9) 0.8126(8) 0.1555(4) 0.0427(16) Uani 1 1 d D U . . .
F5_3 F 1.2043(9) 0.7498(10) 0.0788(4) 0.0453(18) Uani 1 1 d D U . . .
F6_3 F 1.4544(8) 0.6243(9) 0.0811(4) 0.0404(16) Uani 1 1 d D U . . .
C4_3 C 1.3464(12) 0.5871(11) 0.2675(6) 0.033(2) Uani 1 1 d D U . . .
F7_3 F 1.2789(10) 0.7035(8) 0.3138(4) 0.0446(17) Uani 1 1 d D U . . .
F8_3 F 1.5006(9) 0.5573(9) 0.2369(5) 0.0445(17) Uani 1 1 d D U . . .
F9_3 F 1.3403(10) 0.4770(9) 0.3204(5) 0.0459(17) Uani 1 1 d D U . . .
O1_4 O 0.9699(9) 0.9545(8) 0.2807(4) 0.0267(15) Uani 1 1 d D U . . .
C1_4 C 0.9328(11) 1.0925(10) 0.2904(5) 0.032(2) Uani 1 1 d D U . . .
C2_4 C 0.7690(12) 1.1664(12) 0.3533(6) 0.045(3) Uani 1 1 d D U . . .
F1_4 F 0.6618(9) 1.1301(8) 0.3392(5) 0.0438(17) Uani 1 1 d D U . . .
F2_4 F 0.7074(9) 1.3104(7) 0.3455(5) 0.0464(17) Uani 1 1 d D U . . .
F3_4 F 0.7896(12) 1.1228(9) 0.4315(4) 0.055(2) Uani 1 1 d D U . . .
C3_4 C 1.0660(14) 1.0949(13) 0.3232(8) 0.056(3) Uani 1 1 d D U . . .
F4_4 F 1.1979(10) 1.0746(11) 0.2603(6) 0.062(2) Uani 1 1 d D U . . .
F5_4 F 1.1030(11) 0.9945(8) 0.3842(5) 0.052(2) Uani 1 1 d D U . . .
F6_4 F 1.0174(13) 1.2209(9) 0.3582(7) 0.069(3) Uani 1 1 d D U . . .
C4_4 C 0.9239(15) 1.1784(12) 0.2070(6) 0.051(3) Uani 1 1 d D U . . .
F7_4 F 1.0469(12) 1.1009(9) 0.1467(5) 0.061(2) Uani 1 1 d D U . . .
F8_4 F 0.9460(15) 1.2990(9) 0.2087(6) 0.074(3) Uani 1 1 d D U . . .
F9_4 F 0.7801(13) 1.2139(9) 0.1915(6) 0.065(2) Uani 1 1 d D U . . .
O1_5 O -0.0890(8) 0.4622(8) 0.7659(4) 0.0276(15) Uani 1 1 d D U . . .
C1_5 C -0.2325(11) 0.5402(9) 0.8176(5) 0.032(2) Uani 1 1 d D U . . .
C2_5 C -0.3401(12) 0.6545(12) 0.7634(6) 0.041(2) Uani 1 1 d D U . . .
F1_5 F -0.2937(12) 0.7587(8) 0.7393(5) 0.055(2) Uani 1 1 d D U . . .
F2_5 F -0.4961(9) 0.7155(9) 0.8059(5) 0.0491(19) Uani 1 1 d D U . . .
F3_5 F -0.3345(11) 0.5953(10) 0.6974(4) 0.054(2) Uani 1 1 d D U . . .
C3_5 C -0.3129(13) 0.4417(11) 0.8619(6) 0.035(2) Uani 1 1 d D U . . .
F4_5 F -0.2108(10) 0.3206(8) 0.8908(5) 0.0454(17) Uani 1 1 d D U . . .
F5_5 F -0.3738(12) 0.4045(11) 0.8117(5) 0.055(2) Uani 1 1 d D U . . .
F6_5 F -0.4368(10) 0.5040(9) 0.9271(4) 0.0491(19) Uani 1 1 d D U . . .
C4_5 C -0.2088(13) 0.6134(11) 0.8825(6) 0.039(2) Uani 1 1 d D U . . .
F7_5 F -0.1493(11) 0.5172(9) 0.9406(5) 0.050(2) Uani 1 1 d D U . . .
F8_5 F -0.3485(10) 0.7168(7) 0.9217(4) 0.0416(17) Uani 1 1 d D U . . .
F9_5 F -0.1093(12) 0.6722(11) 0.8495(6) 0.061(2) Uani 1 1 d D U . . .
O1_6 O 0.0731(10) 0.1645(9) 0.7346(5) 0.0306(16) Uani 1 1 d D U . . .
C1_6 C 0.0486(11) 0.0957(10) 0.6820(5) 0.033(2) Uani 1 1 d D U . . .
C2_6 C 0.2099(13) 0.0071(12) 0.6197(7) 0.047(3) Uani 1 1 d D U . . .
F1_6 F 0.2545(13) 0.0926(11) 0.5610(5) 0.062(2) Uani 1 1 d D U . . .
F2_6 F 0.1994(12) -0.0891(9) 0.5802(5) 0.058(2) Uani 1 1 d D U . . .
F3_6 F 0.3260(11) -0.0631(11) 0.6576(6) 0.065(3) Uani 1 1 d D U . . .
C3_6 C -0.0223(16) -0.0067(13) 0.7323(7) 0.050(3) Uani 1 1 d D U . . .
F4_6 F -0.1348(14) 0.0570(11) 0.7996(6) 0.069(3) Uani 1 1 d D U . . .
F5_6 F 0.0920(14) -0.1210(10) 0.7616(6) 0.066(3) Uani 1 1 d D U . . .
F6_6 F -0.0836(14) -0.0572(11) 0.6908(6) 0.065(3) Uani 1 1 d D U . . .
C4_6 C -0.0673(15) 0.2002(12) 0.6287(7) 0.051(3) Uani 1 1 d D U . . .
F7_6 F -0.2214(11) 0.2533(11) 0.6749(6) 0.069(3) Uani 1 1 d D U . . .
F8_6 F -0.0667(12) 0.1415(10) 0.5636(5) 0.057(2) Uani 1 1 d D U . . .
F9_6 F -0.0414(13) 0.3151(9) 0.6038(6) 0.063(2) Uani 1 1 d D U . . .
O1_7 O 0.2247(9) 0.3432(9) 0.6646(4) 0.0290(16) Uani 1 1 d D U . . .
C1_7 C 0.2941(10) 0.4284(10) 0.6212(5) 0.033(2) Uani 1 1 d D U . . .
C2_7 C 0.3217(14) 0.5110(12) 0.6792(6) 0.039(2) Uani 1 1 d D U . . .
F1_7 F 0.1938(11) 0.5627(9) 0.7438(4) 0.0469(17) Uani 1 1 d D U . . .
F2_7 F 0.3475(11) 0.6230(9) 0.6429(5) 0.0462(18) Uani 1 1 d D U . . .
F3_7 F 0.4433(11) 0.4262(9) 0.7134(5) 0.0511(19) Uani 1 1 d D U . . .
C3_7 C 0.4593(12) 0.3308(12) 0.5664(6) 0.044(3) Uani 1 1 d D U . . .
F4_7 F 0.4390(12) 0.2881(11) 0.5005(5) 0.057(2) Uani 1 1 d D U . . .
F5_7 F 0.5370(10) 0.2141(9) 0.6084(5) 0.0520(19) Uani 1 1 d D U . . .
F6_7 F 0.5494(12) 0.3995(11) 0.5373(5) 0.063(2) Uani 1 1 d D U . . .
C4_7 C 0.1860(15) 0.5379(12) 0.5662(7) 0.048(3) Uani 1 1 d D U . . .
F7_7 F 0.1349(13) 0.4734(10) 0.5267(5) 0.060(2) Uani 1 1 d D U . . .
F8_7 F 0.2660(14) 0.6001(11) 0.5083(5) 0.063(2) Uani 1 1 d D U . . .
F9_7 F 0.0591(11) 0.6412(9) 0.6109(6) 0.057(2) Uani 1 1 d D U . . .
O1_8 O 0.1607(9) 0.2867(8) 0.8397(4) 0.0279(16) Uani 1 1 d D U . . .
C1_8 C 0.2586(10) 0.1942(9) 0.8858(5) 0.0282(19) Uani 1 1 d D U . . .
C2_8 C 0.1958(14) 0.0850(11) 0.9326(6) 0.041(2) Uani 1 1 d D U . . .
F1_8 F 0.0396(10) 0.1498(9) 0.9646(5) 0.0511(19) Uani 1 1 d D U . . .
F2_8 F 0.2653(12) 0.0126(9) 0.9931(5) 0.051(2) Uani 1 1 d D U . . .
F3_8 F 0.2197(11) -0.0158(8) 0.8811(4) 0.0454(18) Uani 1 1 d D U . . .
C3_8 C 0.4305(11) 0.1083(11) 0.8319(6) 0.036(2) Uani 1 1 d D U . . .
F4_8 F 0.5106(12) 0.1883(10) 0.8062(6) 0.057(2) Uani 1 1 d D U . . .
F5_8 F 0.4233(10) 0.0656(9) 0.7617(4) 0.0469(18) Uani 1 1 d D U . . .
F6_8 F 0.5242(11) -0.0083(8) 0.8686(5) 0.051(2) Uani 1 1 d D U . . .
C4_8 C 0.2713(14) 0.2784(11) 0.9493(6) 0.039(2) Uani 1 1 d D U . . .
F7_8 F 0.2875(11) 0.3954(8) 0.9126(5) 0.0476(19) Uani 1 1 d D U . . .
F8_8 F 0.3943(12) 0.2037(9) 0.9844(5) 0.055(2) Uani 1 1 d D U . . .
F9_8 F 0.1349(11) 0.3253(8) 1.0093(4) 0.052(2) Uani 1 1 d D U . . .
H4 H 0.246(13) 0.251(12) 0.352(6) 0.06(2) Uiso 1 1 d D U . . .
H8 H 0.293(7) -0.305(13) 0.893(7) 0.05(2) Uiso 1 1 d D U . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O1_1 1.715(7) . ?
Al1 O1_4 1.725(8) . ?
Al1 O1_2 1.727(7) . ?
Al1 O1_3 1.741(8) . ?
N1 H3 0.869(15) . ?
N1 H2 0.871(15) . ?
N1 H1 0.867(15) . ?
N1 H4 0.868(15) . ?
Al2 O1_5 1.714(7) . ?
Al2 O1_7 1.729(7) . ?
Al2 O1_8 1.733(7) . ?
Al2 O1_6 1.733(8) . ?
N2 H7 0.870(15) . ?
N2 H6 0.870(15) . ?
N2 H5 0.872(15) . ?
N2 H8 0.874(15) . ?
O1_1 C1_1 1.372(9) . ?
C1_1 C3_1 1.547(8) . ?
C1_1 C2_1 1.547(8) . ?
C1_1 C4_1 1.548(8) . ?
C2_1 F1_1 1.327(12) . ?
C2_1 F2_1 1.334(10) . ?
C2_1 F3_1 1.353(12) . ?
C3_1 F6_1 1.328(11) . ?
C3_1 F5_1 1.338(11) . ?
C3_1 F4_1 1.347(12) . ?
C4_1 F7_1 1.333(12) . ?
C4_1 F8_1 1.342(10) . ?
C4_1 F9_1 1.342(12) . ?
O1_2 C1_2 1.353(10) . ?
C1_2 C2_2 1.544(8) . ?
C1_2 C4_2 1.552(8) . ?
C1_2 C3_2 1.553(8) . ?
C2_2 F2_2 1.325(11) . ?
C2_2 F3_2 1.333(11) . ?
C2_2 F1_2 1.361(10) . ?
C3_2 F4_2 1.325(11) . ?
C3_2 F5_2 1.327(11) . ?
C3_2 F6_2 1.347(10) . ?
C4_2 F8_2 1.332(11) . ?
C4_2 F9_2 1.332(10) . ?
C4_2 F7_2 1.352(11) . ?
O1_3 C1_3 1.342(11) . ?
C1_3 C2_3 1.544(8) . ?
C1_3 C4_3 1.550(8) . ?
C1_3 C3_3 1.551(8) . ?
C2_3 F3_3 1.330(12) . ?
C2_3 F1_3 1.347(12) . ?
C2_3 F2_3 1.347(12) . ?
C3_3 F5_3 1.325(11) . ?
C3_3 F4_3 1.350(12) . ?
C3_3 F6_3 1.353(11) . ?
C4_3 F8_3 1.324(11) . ?
C4_3 F7_3 1.342(11) . ?
C4_3 F9_3 1.362(11) . ?
O1_4 C1_4 1.349(11) . ?
C1_4 C2_4 1.546(8) . ?
C1_4 C3_4 1.546(9) . ?
C1_4 C4_4 1.553(9) . ?
C2_4 F1_4 1.340(13) . ?
C2_4 F2_4 1.348(12) . ?
C2_4 F3_4 1.368(12) . ?
C3_4 F5_4 1.353(13) . ?
C3_4 F6_4 1.354(13) . ?
C3_4 F4_4 1.355(13) . ?
C4_4 F7_4 1.335(12) . ?
C4_4 F9_4 1.352(14) . ?
C4_4 F8_4 1.382(13) . ?
O1_5 C1_5 1.355(11) . ?
C1_5 C3_5 1.548(8) . ?
C1_5 C4_5 1.549(8) . ?
C1_5 C2_5 1.555(8) . ?
C2_5 F1_5 1.331(13) . ?
C2_5 F3_5 1.334(12) . ?
C2_5 F2_5 1.351(11) . ?
C3_5 F4_5 1.327(12) . ?
C3_5 F5_5 1.344(12) . ?
C3_5 F6_5 1.347(11) . ?
C4_5 F9_5 1.319(13) . ?
C4_5 F8_5 1.342(11) . ?
C4_5 F7_5 1.341(12) . ?
O1_6 C1_6 1.355(11) . ?
C1_6 C3_6 1.550(8) . ?
C1_6 C4_6 1.552(8) . ?
C1_6 C2_6 1.558(8) . ?
C2_6 F3_6 1.308(13) . ?
C2_6 F2_6 1.346(13) . ?
C2_6 F1_6 1.347(13) . ?
C3_6 F6_6 1.324(13) . ?
C3_6 F4_6 1.332(13) . ?
C3_6 F5_6 1.348(14) . ?
C4_6 F9_6 1.325(14) . ?
C4_6 F8_6 1.336(12) . ?
C4_6 F7_6 1.354(14) . ?
O1_7 C1_7 1.361(11) . ?
C1_7 C3_7 1.547(8) . ?
C1_7 C4_7 1.548(8) . ?
C1_7 C2_7 1.549(8) . ?
C2_7 F3_7 1.330(12) . ?
C2_7 F2_7 1.335(12) . ?
C2_7 F1_7 1.342(12) . ?
C3_7 F6_7 1.318(13) . ?
C3_7 F5_7 1.327(13) . ?
C3_7 F4_7 1.352(13) . ?
C4_7 F9_7 1.322(13) . ?
C4_7 F7_7 1.332(13) . ?
C4_7 F8_7 1.346(13) . ?
O1_8 C1_8 1.336(10) . ?
C1_8 C2_8 1.547(8) . ?
C1_8 C3_8 1.550(8) . ?
C1_8 C4_8 1.551(8) . ?
C2_8 F1_8 1.314(13) . ?
C2_8 F2_8 1.325(12) . ?
C2_8 F3_8 1.368(12) . ?
C3_8 F6_8 1.331(11) . ?
C3_8 F4_8 1.334(12) . ?
C3_8 F5_8 1.359(12) . ?
C4_8 F8_8 1.333(12) . ?
C4_8 F9_8 1.339(13) . ?
C4_8 F7_8 1.344(12) . ?

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
O1_1 Al1 O1_4 112.9(4) . . ?
O1_1 Al1 O1_2 107.5(4) . . ?
O1_4 Al1 O1_2 107.2(4) . . ?
O1_1 Al1 O1_3 109.0(4) . . ?
O1_4 Al1 O1_3 108.9(4) . . ?
O1_2 Al1 O1_3 111.3(4) . . ?
H3 N1 H2 109(3) . . ?
H3 N1 H1 110(3) . . ?
H2 N1 H1 110(3) . . ?
H3 N1 H4 106(10) . . ?
H2 N1 H4 110(3) . . ?
H1 N1 H4 111(3) . . ?
O1_5 Al2 O1_7 109.0(4) . . ?
O1_5 Al2 O1_8 107.0(4) . . ?
O1_7 Al2 O1_8 111.8(4) . . ?
O1_5 Al2 O1_6 110.9(4) . . ?
O1_7 Al2 O1_6 108.5(4) . . ?
O1_8 Al2 O1_6 109.7(4) . . ?
H7 N2 H6 110(3) . . ?
H7 N2 H5 110(3) . . ?
H6 N2 H5 109(3) . . ?
H7 N2 H8 109(3) . . ?
H6 N2 H8 110(3) . . ?
H5 N2 H8 109(3) . . ?
C1_1 O1_1 Al1 146.5(7) . . ?
O1_1 C1_1 C3_1 112.0(7) . . ?
O1_1 C1_1 C2_1 108.2(7) . . ?
C3_1 C1_1 C2_1 108.1(7) . . ?
O1_1 C1_1 C4_1 110.0(7) . . ?
C3_1 C1_1 C4_1 109.2(7) . . ?
C2_1 C1_1 C4_1 109.4(7) . . ?
F1_1 C2_1 F2_1 108.4(8) . . ?
F1_1 C2_1 F3_1 108.5(9) . . ?
F2_1 C2_1 F3_1 107.4(9) . . ?
F1_1 C2_1 C1_1 110.2(8) . . ?
F2_1 C2_1 C1_1 112.2(8) . . ?
F3_1 C2_1 C1_1 110.0(8) . . ?
F6_1 C3_1 F5_1 107.3(8) . . ?
F6_1 C3_1 F4_1 107.5(8) . . ?
F5_1 C3_1 F4_1 105.2(8) . . ?
F6_1 C3_1 C1_1 114.3(8) . . ?
F5_1 C3_1 C1_1 110.7(8) . . ?
F4_1 C3_1 C1_1 111.3(8) . . ?
F7_1 C4_1 F8_1 106.9(9) . . ?
F7_1 C4_1 F9_1 106.7(9) . . ?
F8_1 C4_1 F9_1 107.9(8) . . ?
F7_1 C4_1 C1_1 111.1(8) . . ?
F8_1 C4_1 C1_1 112.8(8) . . ?
F9_1 C4_1 C1_1 111.1(8) . . ?
C1_2 O1_2 Al1 144.2(6) . . ?
O1_2 C1_2 C2_2 111.0(7) . . ?
O1_2 C1_2 C4_2 112.1(7) . . ?
C2_2 C1_2 C4_2 108.6(7) . . ?
O1_2 C1_2 C3_2 107.5(7) . . ?
C2_2 C1_2 C3_2 108.7(7) . . ?
C4_2 C1_2 C3_2 108.9(7) . . ?
F2_2 C2_2 F3_2 108.9(8) . . ?
F2_2 C2_2 F1_2 106.6(8) . . ?
F3_2 C2_2 F1_2 105.9(7) . . ?
F2_2 C2_2 C1_2 113.8(7) . . ?
F3_2 C2_2 C1_2 110.5(7) . . ?
F1_2 C2_2 C1_2 110.7(7) . . ?
F4_2 C3_2 F5_2 107.3(8) . . ?
F4_2 C3_2 F6_2 107.3(7) . . ?
F5_2 C3_2 F6_2 106.9(8) . . ?
F4_2 C3_2 C1_2 111.2(7) . . ?
F5_2 C3_2 C1_2 111.2(7) . . ?
F6_2 C3_2 C1_2 112.7(7) . . ?
F8_2 C4_2 F9_2 107.7(8) . . ?
F8_2 C4_2 F7_2 107.1(7) . . ?
F9_2 C4_2 F7_2 106.1(8) . . ?
F8_2 C4_2 C1_2 114.1(8) . . ?
F9_2 C4_2 C1_2 110.6(7) . . ?
F7_2 C4_2 C1_2 110.9(7) . . ?
C1_3 O1_3 Al1 146.3(6) . . ?
O1_3 C1_3 C2_3 108.2(7) . . ?
O1_3 C1_3 C4_3 109.7(7) . . ?
C2_3 C1_3 C4_3 110.4(7) . . ?
O1_3 C1_3 C3_3 110.7(7) . . ?
C2_3 C1_3 C3_3 109.2(7) . . ?
C4_3 C1_3 C3_3 108.6(7) . . ?
F3_3 C2_3 F1_3 106.3(9) . . ?
F3_3 C2_3 F2_3 108.1(9) . . ?
F1_3 C2_3 F2_3 107.1(9) . . ?
F3_3 C2_3 C1_3 111.2(8) . . ?
F1_3 C2_3 C1_3 110.7(8) . . ?
F2_3 C2_3 C1_3 113.0(8) . . ?
F5_3 C3_3 F4_3 107.5(8) . . ?
F5_3 C3_3 F6_3 107.6(8) . . ?
F4_3 C3_3 F6_3 106.2(8) . . ?
F5_3 C3_3 C1_3 112.0(8) . . ?
F4_3 C3_3 C1_3 111.7(7) . . ?
F6_3 C3_3 C1_3 111.6(8) . . ?
F8_3 C4_3 F7_3 107.5(8) . . ?
F8_3 C4_3 F9_3 107.0(8) . . ?
F7_3 C4_3 F9_3 106.4(8) . . ?
F8_3 C4_3 C1_3 113.8(8) . . ?
F7_3 C4_3 C1_3 112.2(8) . . ?
F9_3 C4_3 C1_3 109.5(7) . . ?
C1_4 O1_4 Al1 149.8(7) . . ?
O1_4 C1_4 C2_4 111.4(8) . . ?
O1_4 C1_4 C3_4 107.9(8) . . ?
C2_4 C1_4 C3_4 108.8(8) . . ?
O1_4 C1_4 C4_4 111.1(7) . . ?
C2_4 C1_4 C4_4 108.3(8) . . ?
C3_4 C1_4 C4_4 109.4(9) . . ?
F1_4 C2_4 F2_4 106.5(9) . . ?
F1_4 C2_4 F3_4 109.9(10) . . ?
F2_4 C2_4 F3_4 110.3(9) . . ?
F1_4 C2_4 C1_4 109.6(8) . . ?
F2_4 C2_4 C1_4 111.9(9) . . ?
F3_4 C2_4 C1_4 108.8(8) . . ?
F5_4 C3_4 F6_4 105.1(10) . . ?
F5_4 C3_4 F4_4 111.1(10) . . ?
F6_4 C3_4 F4_4 108.0(10) . . ?
F5_4 C3_4 C1_4 110.5(9) . . ?
F6_4 C3_4 C1_4 112.1(9) . . ?
F4_4 C3_4 C1_4 109.9(9) . . ?
F7_4 C4_4 F9_4 111.8(11) . . ?
F7_4 C4_4 F8_4 104.2(10) . . ?
F9_4 C4_4 F8_4 111.1(10) . . ?
F7_4 C4_4 C1_4 109.7(9) . . ?
F9_4 C4_4 C1_4 109.0(9) . . ?
F8_4 C4_4 C1_4 111.0(9) . . ?
C1_5 O1_5 Al2 148.5(7) . . ?
O1_5 C1_5 C3_5 109.7(8) . . ?
O1_5 C1_5 C4_5 110.4(8) . . ?
C3_5 C1_5 C4_5 109.8(7) . . ?
O1_5 C1_5 C2_5 107.1(7) . . ?
C3_5 C1_5 C2_5 109.3(8) . . ?
C4_5 C1_5 C2_5 110.5(8) . . ?
F1_5 C2_5 F3_5 109.7(9) . . ?
F1_5 C2_5 F2_5 107.4(9) . . ?
F3_5 C2_5 F2_5 106.8(9) . . ?
F1_5 C2_5 C1_5 110.6(9) . . ?
F3_5 C2_5 C1_5 110.9(9) . . ?
F2_5 C2_5 C1_5 111.3(8) . . ?
F4_5 C3_5 F5_5 106.6(9) . . ?
F4_5 C3_5 F6_5 106.3(8) . . ?
F5_5 C3_5 F6_5 105.9(9) . . ?
F4_5 C3_5 C1_5 112.4(8) . . ?
F5_5 C3_5 C1_5 112.4(8) . . ?
F6_5 C3_5 C1_5 112.7(8) . . ?
F9_5 C4_5 F8_5 107.3(9) . . ?
F9_5 C4_5 F7_5 108.1(10) . . ?
F8_5 C4_5 F7_5 106.8(8) . . ?
F9_5 C4_5 C1_5 112.6(8) . . ?
F8_5 C4_5 C1_5 111.8(9) . . ?
F7_5 C4_5 C1_5 110.0(8) . . ?
C1_6 O1_6 Al2 146.7(7) . . ?
O1_6 C1_6 C3_6 109.3(8) . . ?
O1_6 C1_6 C4_6 112.7(8) . . ?
C3_6 C1_6 C4_6 108.9(8) . . ?
O1_6 C1_6 C2_6 110.7(8) . . ?
C3_6 C1_6 C2_6 109.1(8) . . ?
C4_6 C1_6 C2_6 106.0(8) . . ?
F3_6 C2_6 F2_6 107.6(10) . . ?
F3_6 C2_6 F1_6 107.8(11) . . ?
F2_6 C2_6 F1_6 106.7(9) . . ?
F3_6 C2_6 C1_6 110.9(9) . . ?
F2_6 C2_6 C1_6 112.5(9) . . ?
F1_6 C2_6 C1_6 111.1(9) . . ?
F6_6 C3_6 F4_6 108.6(11) . . ?
F6_6 C3_6 F5_6 106.8(10) . . ?
F4_6 C3_6 F5_6 104.7(10) . . ?
F6_6 C3_6 C1_6 115.3(9) . . ?
F4_6 C3_6 C1_6 110.5(9) . . ?
F5_6 C3_6 C1_6 110.3(9) . . ?
F9_6 C4_6 F8_6 109.4(10) . . ?
F9_6 C4_6 F7_6 104.2(10) . . ?
F8_6 C4_6 F7_6 105.7(10) . . ?
F9_6 C4_6 C1_6 111.9(9) . . ?
F8_6 C4_6 C1_6 114.8(9) . . ?
F7_6 C4_6 C1_6 110.1(9) . . ?
C1_7 O1_7 Al2 149.5(7) . . ?
O1_7 C1_7 C3_7 107.7(8) . . ?
O1_7 C1_7 C4_7 110.1(8) . . ?
C3_7 C1_7 C4_7 109.9(8) . . ?
O1_7 C1_7 C2_7 111.7(7) . . ?
C3_7 C1_7 C2_7 108.6(8) . . ?
C4_7 C1_7 C2_7 108.8(8) . . ?
F3_7 C2_7 F2_7 108.3(9) . . ?
F3_7 C2_7 F1_7 104.4(9) . . ?
F2_7 C2_7 F1_7 106.1(9) . . ?
F3_7 C2_7 C1_7 112.1(9) . . ?
F2_7 C2_7 C1_7 114.1(8) . . ?
F1_7 C2_7 C1_7 111.2(8) . . ?
F6_7 C3_7 F5_7 109.4(10) . . ?
F6_7 C3_7 F4_7 107.2(9) . . ?
F5_7 C3_7 F4_7 107.7(10) . . ?
F6_7 C3_7 C1_7 111.1(9) . . ?
F5_7 C3_7 C1_7 111.0(8) . . ?
F4_7 C3_7 C1_7 110.3(9) . . ?
F9_7 C4_7 F7_7 108.6(10) . . ?
F9_7 C4_7 F8_7 107.4(10) . . ?
F7_7 C4_7 F8_7 107.2(9) . . ?
F9_7 C4_7 C1_7 111.2(8) . . ?
F7_7 C4_7 C1_7 110.5(9) . . ?
F8_7 C4_7 C1_7 111.8(9) . . ?
C1_8 O1_8 Al2 146.6(7) . . ?
O1_8 C1_8 C2_8 111.5(8) . . ?
O1_8 C1_8 C3_8 111.5(7) . . ?
C2_8 C1_8 C3_8 107.5(8) . . ?
O1_8 C1_8 C4_8 109.1(7) . . ?
C2_8 C1_8 C4_8 109.2(7) . . ?
C3_8 C1_8 C4_8 108.0(8) . . ?
F1_8 C2_8 F2_8 107.9(9) . . ?
F1_8 C2_8 F3_8 106.3(9) . . ?
F2_8 C2_8 F3_8 105.8(9) . . ?
F1_8 C2_8 C1_8 110.5(8) . . ?
F2_8 C2_8 C1_8 114.2(9) . . ?
F3_8 C2_8 C1_8 111.8(8) . . ?
F6_8 C3_8 F4_8 106.5(9) . . ?
F6_8 C3_8 F5_8 107.1(9) . . ?
F4_8 C3_8 F5_8 105.1(9) . . ?
F6_8 C3_8 C1_8 115.3(8) . . ?
F4_8 C3_8 C1_8 111.8(8) . . ?
F5_8 C3_8 C1_8 110.5(8) . . ?
F8_8 C4_8 F9_8 108.3(9) . . ?
F8_8 C4_8 F7_8 107.3(9) . . ?
F9_8 C4_8 F7_8 106.4(9) . . ?
F8_8 C4_8 C1_8 114.4(8) . . ?
F9_8 C4_8 C1_8 109.9(8) . . ?
F7_8 C4_8 C1_8 110.2(8) . . ?

_refine_diff_density_max         0.454
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.089

####################################################################### 
# 
# 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_N2H5PF_100K_a
_database_code_depnum_ccdc_archive 'CCDC 1960205'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT089_N2H5PF_100K_a       
;
PROBLEM: Poor Data / Parameter Ratio (Zmax < 18) ........       4.59 Note  
RESPONSE: That is the result of highly disordered OC(CF3)3 groups. However,
there have been resonable restraints and constraints on its geometry applied.
;
_vrf_PLAT340_N2H5PF_100K_a       
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01039 Ang.  
RESPONSE: The precision is affected by high degree of disorder in 
-OC(CF3)3 groups.
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H5 Al F36 N2 O4'
_chemical_formula_weight         1000.20

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   9.6450(4)
_cell_length_b                   10.6675(5)
_cell_length_c                   17.0803(8)
_cell_angle_alpha                82.791(4)
_cell_angle_beta                 73.622(4)
_cell_angle_gamma                63.240(4)
_cell_volume                     1505.47(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    15287
_cell_measurement_theta_min      2.6480
_cell_measurement_theta_max      75.1310

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    3.076
_shelx_estimated_absorpt_T_min   0.412
_shelx_estimated_absorpt_T_max   0.564
_exptl_absorpt_correction_T_min  0.60642
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17863
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.696
_diffrn_reflns_theta_max         75.288
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             10113
_reflns_number_gt                10070
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.931
_reflns_Friedel_fraction_max     0.914
_reflns_Friedel_fraction_full    0.963

_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0942P)²+0.3212P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4081 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.05(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         10113
_refine_ls_number_parameters     1301
_refine_ls_number_restraints     15957
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1198
_refine_ls_wR_factor_gt          0.1194
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      0.885
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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
O1_10 O -0.075(3) 0.892(4) 0.267(2) 0.0269(13) Uani 0.146(9) 1 d D U P A 2
C1_10 C -0.236(3) 0.962(3) 0.3017(14) 0.0309(14) Uani 0.146(9) 1 d D U P A 2
C2_10 C -0.332(4) 0.979(4) 0.2387(17) 0.052(6) Uani 0.146(9) 1 d D U P A 2
F1_10 F -0.260(6) 1.011(6) 0.166(2) 0.074(2) Uani 0.146(9) 1 d D U P A 2
F2_10 F -0.484(4) 1.077(4) 0.256(3) 0.049(9) Uani 0.146(9) 1 d D U P A 2
F3_10 F -0.342(5) 0.860(4) 0.232(2) 0.057(7) Uani 0.146(9) 1 d D U P A 2
C3_10 C -0.283(4) 0.878(3) 0.3772(14) 0.035(6) Uani 0.146(9) 1 d D U P A 2
F4_10 F -0.238(3) 0.893(4) 0.4409(14) 0.038(7) Uani 0.146(9) 1 d D U P A 2
F5_10 F -0.216(8) 0.741(3) 0.359(3) 0.033(9) Uani 0.146(9) 1 d D U P A 2
F6_10 F -0.440(4) 0.915(6) 0.403(3) 0.037(9) Uani 0.146(9) 1 d D U P A 2
C4_10 C -0.262(4) 1.107(3) 0.3267(18) 0.051(6) Uani 0.146(9) 1 d D U P A 2
F7_10 F -0.145(6) 1.092(4) 0.360(3) 0.061(8) Uani 0.146(9) 1 d D U P A 2
F8_10 F -0.402(6) 1.171(6) 0.379(3) 0.074(3) Uani 0.146(9) 1 d D U P A 2
F9_10 F -0.245(5) 1.185(3) 0.260(2) 0.058(9) Uani 0.146(9) 1 d D U P A 2
O1_9 O 0.144(3) 0.698(3) 0.3203(16) 0.022(2) Uani 0.361(9) 1 d D U P A 2
C1_9 C 0.248(2) 0.6219(17) 0.3648(10) 0.0282(14) Uani 0.361(9) 1 d D U P A 2
C2_9 C 0.423(2) 0.543(2) 0.3129(11) 0.043(4) Uani 0.361(9) 1 d D U P A 2
F1_9 F 0.427(2) 0.481(2) 0.2494(10) 0.061(4) Uani 0.361(9) 1 d D U P A 2
F2_9 F 0.520(5) 0.444(4) 0.354(3) 0.059(2) Uani 0.361(9) 1 d D U P A 2
F3_9 F 0.483(2) 0.633(2) 0.2863(15) 0.075(6) Uani 0.361(9) 1 d D U P A 2
C3_9 C 0.242(3) 0.718(2) 0.4284(13) 0.062(5) Uani 0.361(9) 1 d D U P A 2
F4_9 F 0.103(2) 0.760(2) 0.4847(11) 0.073(5) Uani 0.361(9) 1 d D U P A 2
F5_9 F 0.253(4) 0.833(2) 0.3941(16) 0.081(6) Uani 0.361(9) 1 d D U P A 2
F6_9 F 0.370(4) 0.658(4) 0.459(2) 0.081(9) Uani 0.361(9) 1 d D U P A 2
C4_9 C 0.202(2) 0.5058(19) 0.4126(10) 0.048(4) Uani 0.361(9) 1 d D U P A 2
F7_9 F 0.047(2) 0.564(2) 0.4458(13) 0.077(6) Uani 0.361(9) 1 d D U P A 2
F8_9 F 0.282(3) 0.454(3) 0.4700(13) 0.065(6) Uani 0.361(9) 1 d D U P A 2
F9_9 F 0.230(3) 0.408(2) 0.3625(11) 0.072(5) Uani 0.361(9) 1 d D U P A 2
O1_8 O -0.0868(7) 0.8901(7) 0.2391(4) 0.0269(13) Uani 0.854(9) 1 d D U P A 1
C1_8 C -0.2361(10) 0.9661(8) 0.2854(4) 0.0309(14) Uani 0.854(9) 1 d D U P A 1
C2_8 C -0.3352(12) 1.0677(12) 0.2270(6) 0.061(3) Uani 0.854(9) 1 d D U P A 1
F1_8 F -0.2936(11) 1.1722(8) 0.2054(5) 0.077(3) Uani 0.854(9) 1 d D U P A 1
F2_8 F -0.4925(11) 1.1259(14) 0.2627(8) 0.098(5) Uani 0.854(9) 1 d D U P A 1
F3_8 F -0.3109(11) 1.0065(12) 0.1605(4) 0.074(2) Uani 0.854(9) 1 d D U P A 1
C3_8 C -0.3186(10) 0.8714(10) 0.3293(5) 0.0374(19) Uani 0.854(9) 1 d D U P A 1
F4_8 F -0.2191(17) 0.7606(9) 0.3606(8) 0.048(3) Uani 0.854(9) 1 d D U P A 1
F5_8 F -0.3644(9) 0.8260(11) 0.2766(5) 0.063(2) Uani 0.854(9) 1 d D U P A 1
F6_8 F -0.4496(10) 0.9402(13) 0.3889(7) 0.060(3) Uani 0.854(9) 1 d D U P A 1
C4_8 C -0.2308(13) 1.0491(11) 0.3512(5) 0.050(2) Uani 0.854(9) 1 d D U P A 1
F7_8 F -0.1785(10) 0.9655(8) 0.4114(4) 0.059(2) Uani 0.854(9) 1 d D U P A 1
F8_8 F -0.3717(13) 1.1509(10) 0.3832(7) 0.074(3) Uani 0.854(9) 1 d D U P A 1
F9_8 F -0.1278(14) 1.1055(12) 0.3184(7) 0.084(3) Uani 0.854(9) 1 d D U P A 1
O1_7 O 0.2255(7) 0.7520(6) 0.1419(3) 0.0325(11) Uani 1 1 d D U . . .
C1_7 C 0.2925(7) 0.8305(7) 0.0944(3) 0.0269(13) Uani 1 1 d D U . . .
C2_7 C 0.3437(11) 0.9035(10) 0.1461(4) 0.047(2) Uani 1 1 d D U . . .
F1_7 F 0.2270(11) 0.9593(9) 0.2128(4) 0.072(2) Uani 1 1 d D U . . .
F2_7 F 0.3737(10) 1.0080(7) 0.1067(4) 0.0628(18) Uani 1 1 d D U . . .
F3_7 F 0.4742(10) 0.8124(9) 0.1685(5) 0.0714(19) Uani 1 1 d D U . . .
C3_7 C 0.4454(10) 0.7307(9) 0.0332(5) 0.0451(18) Uani 1 1 d D U . . .
F4_7 F 0.4046(9) 0.6892(8) -0.0246(3) 0.0631(17) Uani 1 1 d D U . . .
F5_7 F 0.5291(7) 0.6166(7) 0.0691(4) 0.0579(15) Uani 1 1 d D U . . .
F6_7 F 0.5406(8) 0.7912(7) -0.0044(4) 0.0567(15) Uani 1 1 d D U . . .
C4_7 C 0.1738(11) 0.9429(10) 0.0478(5) 0.056(2) Uani 1 1 d D U . . .
F7_7 F 0.0994(12) 0.8848(11) 0.0202(6) 0.091(3) Uani 1 1 d D U . . .
F8_7 F 0.2481(10) 0.9941(9) -0.0165(4) 0.076(2) Uani 1 1 d D U . . .
F9_7 F 0.0648(9) 1.0476(7) 0.0962(5) 0.075(2) Uani 1 1 d D U . . .
O1_6 O 0.0634(7) 0.5897(7) 0.2152(3) 0.0339(11) Uani 1 1 d D U . . .
C1_6 C 0.0531(8) 0.5097(7) 0.1646(4) 0.0335(15) Uani 1 1 d D U . . .
C2_6 C -0.0654(12) 0.4502(11) 0.2145(6) 0.059(2) Uani 1 1 d D U . . .
F1_6 F -0.0504(11) 0.4159(10) 0.2881(4) 0.074(2) Uani 1 1 d D U . . .
F2_6 F -0.0483(12) 0.3384(10) 0.1776(6) 0.086(2) Uani 1 1 d D U . . .
F3_6 F -0.2172(8) 0.5468(10) 0.2237(6) 0.083(2) Uani 1 1 d D U . . .
C3_6 C -0.0063(13) 0.5886(11) 0.0902(5) 0.060(2) Uani 1 1 d D U . . .
F4_6 F 0.1211(12) 0.5998(10) 0.0327(4) 0.083(2) Uani 1 1 d D U . . .
F5_6 F -0.1068(11) 0.7188(8) 0.1069(5) 0.076(2) Uani 1 1 d D U . . .
F6_6 F -0.0564(11) 0.5222(9) 0.0534(4) 0.075(2) Uani 1 1 d D U . . .
C4_6 C 0.2212(10) 0.3851(10) 0.1355(6) 0.056(2) Uani 1 1 d D U . . .
F7_6 F 0.3346(9) 0.4290(10) 0.1170(5) 0.078(2) Uani 1 1 d D U . . .
F8_6 F 0.2358(11) 0.3161(8) 0.0724(4) 0.071(2) Uani 1 1 d D U . . .
F9_6 F 0.2521(12) 0.2913(9) 0.1973(6) 0.084(2) Uani 1 1 d D U . . .
O1_5 O 0.1568(15) 0.7262(12) 0.3124(8) 0.022(2) Uani 0.639(9) 1 d D U P A 1
C1_5 C 0.2404(13) 0.6349(11) 0.3640(6) 0.0282(14) Uani 0.639(9) 1 d D U P A 1
C2_5 C 0.3980(13) 0.5135(12) 0.3171(7) 0.038(3) Uani 0.639(9) 1 d D U P A 1
F1_5 F 0.3649(10) 0.4110(8) 0.2994(5) 0.0385(18) Uani 0.639(9) 1 d D U P A 1
F2_5 F 0.506(3) 0.455(2) 0.3611(15) 0.059(2) Uani 0.639(9) 1 d D U P A 1
F3_5 F 0.4609(9) 0.5554(11) 0.2476(6) 0.049(2) Uani 0.639(9) 1 d D U P A 1
C3_5 C 0.2880(17) 0.7217(13) 0.4095(8) 0.052(3) Uani 0.639(9) 1 d D U P A 1
F4_5 F 0.1606(15) 0.8442(9) 0.4326(6) 0.058(3) Uani 0.639(9) 1 d D U P A 1
F5_5 F 0.4042(14) 0.7490(12) 0.3591(7) 0.066(3) Uani 0.639(9) 1 d D U P A 1
F6_5 F 0.328(2) 0.6567(17) 0.4786(9) 0.063(4) Uani 0.639(9) 1 d D U P A 1
C4_5 C 0.1379(15) 0.5707(12) 0.4268(6) 0.038(3) Uani 0.639(9) 1 d D U P A 1
F7_5 F 0.0249(13) 0.6664(10) 0.4821(5) 0.057(3) Uani 0.639(9) 1 d D U P A 1
F8_5 F 0.2208(13) 0.4611(11) 0.4692(7) 0.041(2) Uani 0.639(9) 1 d D U P A 1
F9_5 F 0.0634(9) 0.5279(9) 0.3890(4) 0.0384(18) Uani 0.639(9) 1 d D U P A 1
O1_4 O 0.8029(5) 0.3430(5) 0.6541(2) 0.0217(9) Uani 1 1 d D U . . .
C1_4 C 0.7230(6) 0.3333(6) 0.6035(3) 0.0203(11) Uani 1 1 d D U . . .
C2_4 C 0.7765(7) 0.1774(7) 0.5826(4) 0.0256(12) Uani 1 1 d D U . . .
F1_4 F 0.9166(5) 0.1275(6) 0.5266(3) 0.0378(10) Uani 1 1 d D U . . .
F2_4 F 0.6725(6) 0.1596(6) 0.5536(3) 0.0380(10) Uani 1 1 d D U . . .
F3_4 F 0.7976(6) 0.0969(5) 0.6481(3) 0.0332(9) Uani 1 1 d D U . . .
C3_4 C 0.5387(7) 0.4019(7) 0.6444(3) 0.0242(12) Uani 1 1 d D U . . .
F4_4 F 0.4953(5) 0.5214(5) 0.6818(3) 0.0340(9) Uani 1 1 d D U . . .
F5_4 F 0.5008(5) 0.3166(5) 0.7020(2) 0.0286(8) Uani 1 1 d D U . . .
F6_4 F 0.4506(5) 0.4313(5) 0.5914(2) 0.0312(9) Uani 1 1 d D U . . .
C4_4 C 0.7569(8) 0.4139(8) 0.5234(3) 0.0285(13) Uani 1 1 d D U . . .
F7_4 F 0.6773(6) 0.5522(5) 0.5365(3) 0.0387(10) Uani 1 1 d D U . . .
F8_4 F 0.7127(6) 0.3820(6) 0.4637(2) 0.0430(12) Uani 1 1 d D U . . .
F9_4 F 0.9129(5) 0.3813(6) 0.4969(3) 0.0404(11) Uani 1 1 d D U . . .
O1_3 O 0.9441(6) 0.3896(5) 0.7605(3) 0.0226(9) Uani 1 1 d D U . . .
C1_3 C 0.9018(6) 0.5233(6) 0.7765(3) 0.0216(11) Uani 1 1 d D U . . .
C2_3 C 0.9188(8) 0.5325(7) 0.8632(4) 0.0265(12) Uani 1 1 d D U . . .
F1_3 F 0.8030(5) 0.5168(5) 0.9202(2) 0.0338(9) Uani 1 1 d D U . . .
F2_3 F 0.9194(6) 0.6530(5) 0.8764(3) 0.0336(9) Uani 1 1 d D U . . .
F3_3 F 1.0586(5) 0.4287(5) 0.8734(3) 0.0321(9) Uani 1 1 d D U . . .
C3_3 C 1.0139(8) 0.5777(8) 0.7122(4) 0.0309(14) Uani 1 1 d D U . . .
F4_3 F 1.0352(6) 0.5374(5) 0.6378(2) 0.0359(10) Uani 1 1 d D U . . .
F5_3 F 1.1597(5) 0.5232(6) 0.7283(3) 0.0378(10) Uani 1 1 d D U . . .
F6_3 F 0.9552(6) 0.7173(5) 0.7129(3) 0.0407(11) Uani 1 1 d D U . . .
C4_3 C 0.7249(7) 0.6212(7) 0.7737(4) 0.0267(12) Uani 1 1 d D U . . .
F7_3 F 0.7107(6) 0.6491(5) 0.6975(2) 0.0338(9) Uani 1 1 d D U . . .
F8_3 F 0.6653(5) 0.7435(4) 0.8124(3) 0.0318(9) Uani 1 1 d D U . . .
F9_3 F 0.6289(5) 0.5595(5) 0.8103(3) 0.0294(8) Uani 1 1 d D U . . .
O1_2 O 1.0724(5) 0.1144(5) 0.7030(3) 0.0217(9) Uani 1 1 d D U . . .
C1_2 C 1.2320(7) 0.0569(6) 0.6670(3) 0.0215(12) Uani 1 1 d D U . . .
C2_2 C 1.3286(8) 0.0245(8) 0.7320(4) 0.0307(14) Uani 1 1 d D U . . .
F1_2 F 1.2627(6) 0.1304(6) 0.7839(3) 0.0398(10) Uani 1 1 d D U . . .
F2_2 F 1.4808(5) 0.0002(6) 0.6984(3) 0.0409(11) Uani 1 1 d D U . . .
F3_2 F 1.3296(6) -0.0888(6) 0.7759(3) 0.0413(10) Uani 1 1 d D U . . .
C3_2 C 1.2752(8) -0.0819(7) 0.6258(4) 0.0293(13) Uani 1 1 d D U . . .
F4_2 F 1.2282(6) -0.0542(6) 0.5559(3) 0.0422(11) Uani 1 1 d D U . . .
F5_2 F 1.2042(6) -0.1551(5) 0.6733(3) 0.0409(11) Uani 1 1 d D U . . .
F6_2 F 1.4337(5) -0.1655(5) 0.6063(4) 0.0438(12) Uani 1 1 d D U . . .
C4_2 C 1.2795(8) 0.1548(7) 0.6010(4) 0.0282(13) Uani 1 1 d D U . . .
F7_2 F 1.1674(5) 0.2186(6) 0.5602(3) 0.0389(10) Uani 1 1 d D U . . .
F8_2 F 1.4190(5) 0.0888(6) 0.5480(3) 0.0394(10) Uani 1 1 d D U . . .
F9_2 F 1.2870(6) 0.2556(5) 0.6361(3) 0.0387(10) Uani 1 1 d D U . . .
O1_1 O 0.7568(5) 0.2321(5) 0.8113(3) 0.0218(8) Uani 1 1 d D U . . .
C1_1 C 0.7315(7) 0.1529(6) 0.8780(3) 0.0243(12) Uani 1 1 d D U . . .
C2_1 C 0.6942(12) 0.2347(8) 0.9559(4) 0.0472(19) Uani 1 1 d D U . . .
F1_1 F 0.8184(11) 0.2453(9) 0.9631(6) 0.087(3) Uani 1 1 d D U . . .
F2_1 F 0.6323(15) 0.1792(8) 1.0229(3) 0.095(3) Uani 1 1 d D U . . .
F3_1 F 0.5825(7) 0.3652(5) 0.9533(3) 0.0472(12) Uani 1 1 d D U . . .
C3_1 C 0.5828(9) 0.1306(9) 0.8774(5) 0.0396(16) Uani 1 1 d D U . . .
F4_1 F 0.6090(9) 0.0705(7) 0.8072(5) 0.0672(18) Uani 1 1 d D U . . .
F5_1 F 0.4522(6) 0.2506(6) 0.8823(3) 0.0466(12) Uani 1 1 d D U . . .
F6_1 F 0.5500(10) 0.0506(11) 0.9376(6) 0.095(3) Uani 1 1 d D U . . .
C4_1 C 0.8782(9) 0.0081(7) 0.8771(4) 0.0380(16) Uani 1 1 d D U . . .
F7_1 F 0.9086(7) -0.0658(6) 0.8128(4) 0.0506(12) Uani 1 1 d D U . . .
F8_1 F 0.8535(8) -0.0667(6) 0.9441(4) 0.0571(16) Uani 1 1 d D U . . .
F9_1 F 1.0082(6) 0.0234(7) 0.8727(3) 0.0475(13) Uani 1 1 d D U . . .
Al01 Al 0.0890(2) 0.7350(2) 0.22810(10) 0.0184(3) Uani 1 1 d . . . . .
Al02 Al 0.89567(19) 0.26621(18) 0.73246(10) 0.0157(3) Uani 1 1 d . . . . .
N1 N 0.181(2) 1.1119(16) 0.3651(12) 0.049(4) Uani 0.64(3) 1 d D U P B 1
H1A H 0.1872 1.1104 0.3111 0.074 Uiso 0.54(3) 1 calc R U P B 1
H1B H 0.0800 1.1283 0.3948 0.074 Uiso 0.54(3) 1 calc R U P B 1
H1C H 0.2526 1.0277 0.3797 0.074 Uiso 0.54(3) 1 calc R U P B 1
N2 N 0.2171(17) 1.2185(14) 0.3801(8) 0.048(4) Uani 0.64(3) 1 d D . P B 1
H2A H 0.1812 1.2387 0.4344 0.072 Uiso 0.54(3) 1 calc R U P B 1
H2B H 0.1682 1.2966 0.3516 0.072 Uiso 0.54(3) 1 calc R U P B 1
H2C H 0.3252 1.1894 0.3641 0.072 Uiso 0.54(3) 1 calc R U P B 1
N3 N 0.3203(8) 0.5357(7) 0.8627(4) 0.0352(14) Uani 1 1 d D . . . .
H3A H 0.4196 0.4979 0.8277 0.053 Uiso 0.8333 1 calc R U P . .
H3B H 0.2624 0.4915 0.8565 0.053 Uiso 0.8333 1 calc R U P . .
H3C H 0.3300 0.5246 0.9149 0.053 Uiso 0.8333 1 calc R U P . .
N4 N 0.2418(9) 0.6786(8) 0.8460(5) 0.0426(16) Uani 1 1 d D . . . .
H4A H 0.1392 0.7008 0.8456 0.064 Uiso 0.8333 1 calc R U P . .
H4B H 0.2945 0.6982 0.7964 0.064 Uiso 0.8333 1 calc R U P . .
H4C H 0.2407 0.7299 0.8852 0.064 Uiso 0.8333 1 calc R U P . .
N1A N 0.225(4) 1.120(5) 0.387(3) 0.074(13) Uani 0.36(3) 1 d D U P B 2
H1AA H 0.2055 1.1977 0.4124 0.111 Uiso 0.30(3) 1 calc R U P B 2
H1AB H 0.3158 1.0958 0.3454 0.111 Uiso 0.30(3) 1 calc R U P B 2
H1AC H 0.2368 1.0477 0.4228 0.111 Uiso 0.30(3) 1 calc R U P B 2
N2A N 0.096(4) 1.147(4) 0.3547(14) 0.063(10) Uani 0.36(3) 1 d D U P B 2
H2AA H 0.1330 1.1156 0.3023 0.095 Uiso 0.30(3) 1 calc R U P B 2
H2AB H 0.0322 1.2415 0.3556 0.095 Uiso 0.30(3) 1 calc R U P B 2
H2AC H 0.0371 1.1029 0.3853 0.095 Uiso 0.30(3) 1 calc R U P B 2


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_10 C1_10 1.366(19) . ?
O1_10 Al01 1.75(3) . ?
C1_10 C3_10 1.554(9) . ?
C1_10 C2_10 1.554(9) . ?
C1_10 C4_10 1.555(9) . ?
C2_10 F1_10 1.335(18) . ?
C2_10 F3_10 1.335(19) . ?
C2_10 F2_10 1.337(18) . ?
C3_10 F4_10 1.332(18) . ?
C3_10 F5_10 1.333(18) . ?
C3_10 F6_10 1.333(18) . ?
C4_10 F8_10 1.318(18) . ?
C4_10 F9_10 1.334(18) . ?
C4_10 F7_10 1.338(19) . ?
O1_9 C1_9 1.336(16) . ?
O1_9 Al01 1.74(2) . ?
C1_9 C2_9 1.555(9) . ?
C1_9 C3_9 1.555(9) . ?
C1_9 C4_9 1.558(9) . ?
C2_9 F3_9 1.306(17) . ?
C2_9 F1_9 1.325(17) . ?
C2_9 F2_9 1.331(17) . ?
C3_9 F5_9 1.326(18) . ?
C3_9 F4_9 1.329(17) . ?
C3_9 F6_9 1.332(18) . ?
C4_9 F9_9 1.316(16) . ?
C4_9 F7_9 1.317(17) . ?
C4_9 F8_9 1.326(17) . ?
O1_8 C1_8 1.350(9) . ?
O1_8 Al01 1.738(6) . ?
C1_8 C4_8 1.541(8) . ?
C1_8 C3_8 1.554(8) . ?
C1_8 C2_8 1.555(7) . ?
C2_8 F3_8 1.291(13) . ?
C2_8 F1_8 1.325(13) . ?
C2_8 F2_8 1.336(12) . ?
C3_8 F4_8 1.309(12) . ?
C3_8 F5_8 1.330(10) . ?
C3_8 F6_8 1.341(11) . ?
C4_8 F8_8 1.314(12) . ?
C4_8 F7_8 1.328(12) . ?
C4_8 F9_8 1.343(13) . ?
O1_7 C1_7 1.341(8) . ?
O1_7 Al01 1.729(5) . ?
C1_7 C2_7 1.547(7) . ?
C1_7 C3_7 1.549(7) . ?
C1_7 C4_7 1.556(7) . ?
C2_7 F3_7 1.324(11) . ?
C2_7 F1_7 1.328(10) . ?
C2_7 F2_7 1.331(9) . ?
C3_7 F5_7 1.310(10) . ?
C3_7 F6_7 1.330(9) . ?
C3_7 F4_7 1.345(10) . ?
C4_7 F9_7 1.312(12) . ?
C4_7 F8_7 1.332(10) . ?
C4_7 F7_7 1.335(12) . ?
O1_6 C1_6 1.339(8) . ?
O1_6 Al01 1.725(6) . ?
C1_6 C3_6 1.536(7) . ?
C1_6 C2_6 1.550(7) . ?
C1_6 C4_6 1.553(8) . ?
C2_6 F1_6 1.294(11) . ?
C2_6 F3_6 1.335(12) . ?
C2_6 F2_6 1.341(11) . ?
C3_6 F5_6 1.297(12) . ?
C3_6 F6_6 1.313(11) . ?
C3_6 F4_6 1.382(12) . ?
C4_6 F8_6 1.319(10) . ?
C4_6 F7_6 1.321(11) . ?
C4_6 F9_6 1.359(12) . ?
O1_5 C1_5 1.363(11) . ?
O1_5 Al01 1.717(12) . ?
C1_5 C4_5 1.556(8) . ?
C1_5 C2_5 1.559(8) . ?
C1_5 C3_5 1.561(8) . ?
C2_5 F3_5 1.297(13) . ?
C2_5 F2_5 1.336(14) . ?
C2_5 F1_5 1.356(12) . ?
C3_5 F5_5 1.330(14) . ?
C3_5 F4_5 1.335(14) . ?
C3_5 F6_5 1.356(13) . ?
C4_5 F9_5 1.332(12) . ?
C4_5 F7_5 1.335(13) . ?
C4_5 F8_5 1.343(12) . ?
O1_4 C1_4 1.350(7) . ?
O1_4 Al02 1.733(4) . ?
C1_4 C4_4 1.557(6) . ?
C1_4 C2_4 1.560(7) . ?
C1_4 C3_4 1.562(6) . ?
C2_4 F2_4 1.327(7) . ?
C2_4 F3_4 1.327(8) . ?
C2_4 F1_4 1.332(7) . ?
C3_4 F6_4 1.328(7) . ?
C3_4 F4_4 1.335(8) . ?
C3_4 F5_4 1.342(7) . ?
C4_4 F9_4 1.332(8) . ?
C4_4 F7_4 1.336(9) . ?
C4_4 F8_4 1.341(8) . ?
O1_3 C1_3 1.336(7) . ?
O1_3 Al02 1.738(5) . ?
C1_3 C2_3 1.554(6) . ?
C1_3 C4_3 1.560(7) . ?
C1_3 C3_3 1.565(6) . ?
C2_3 F1_3 1.317(7) . ?
C2_3 F2_3 1.336(8) . ?
C2_3 F3_3 1.347(8) . ?
C3_3 F4_3 1.324(8) . ?
C3_3 F6_3 1.334(8) . ?
C3_3 F5_3 1.354(8) . ?
C4_3 F7_3 1.330(8) . ?
C4_3 F8_3 1.340(8) . ?
C4_3 F9_3 1.342(7) . ?
O1_2 C1_2 1.354(7) . ?
O1_2 Al02 1.737(5) . ?
C1_2 C3_2 1.550(6) . ?
C1_2 C4_2 1.554(7) . ?
C1_2 C2_2 1.555(6) . ?
C2_2 F1_2 1.323(8) . ?
C2_2 F2_2 1.331(7) . ?
C2_2 F3_2 1.337(9) . ?
C3_2 F5_2 1.322(9) . ?
C3_2 F6_2 1.343(8) . ?
C3_2 F4_2 1.347(8) . ?
C4_2 F8_2 1.322(7) . ?
C4_2 F7_2 1.328(8) . ?
C4_2 F9_2 1.333(8) . ?
O1_1 C1_1 1.363(7) . ?
O1_1 Al02 1.743(4) . ?
C1_1 C2_1 1.550(7) . ?
C1_1 C4_1 1.554(7) . ?
C1_1 C3_1 1.558(7) . ?
C2_1 F1_1 1.293(11) . ?
C2_1 F3_1 1.328(10) . ?
C2_1 F2_1 1.333(10) . ?
C3_1 F6_1 1.314(9) . ?
C3_1 F5_1 1.322(9) . ?
C3_1 F4_1 1.337(10) . ?
C4_1 F9_1 1.317(9) . ?
C4_1 F7_1 1.320(9) . ?
C4_1 F8_1 1.337(8) . ?
N1 N2 1.398(10) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
N3 N4 1.397(9) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 H4C 0.9100 . ?
N1A N2A 1.396(11) . ?
N1A H1AA 0.9100 . ?
N1A H1AB 0.9100 . ?
N1A H1AC 0.9100 . ?
N2A H2AA 0.9100 . ?
N2A H2AB 0.9100 . ?
N2A H2AC 0.9100 . ?

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_10 O1_10 Al01 148(3) . . ?
O1_10 C1_10 C3_10 108.9(19) . . ?
O1_10 C1_10 C2_10 110.4(19) . . ?
C3_10 C1_10 C2_10 110.5(16) . . ?
O1_10 C1_10 C4_10 104.8(19) . . ?
C3_10 C1_10 C4_10 111.6(17) . . ?
C2_10 C1_10 C4_10 110.4(18) . . ?
F1_10 C2_10 F3_10 108(3) . . ?
F1_10 C2_10 F2_10 107(3) . . ?
F3_10 C2_10 F2_10 104(2) . . ?
F1_10 C2_10 C1_10 110(2) . . ?
F3_10 C2_10 C1_10 111(2) . . ?
F2_10 C2_10 C1_10 116(2) . . ?
F4_10 C3_10 F5_10 109(3) . . ?
F4_10 C3_10 F6_10 106(2) . . ?
F5_10 C3_10 F6_10 106(3) . . ?
F4_10 C3_10 C1_10 111.8(19) . . ?
F5_10 C3_10 C1_10 110(2) . . ?
F6_10 C3_10 C1_10 114(2) . . ?
F8_10 C4_10 F9_10 112(3) . . ?
F8_10 C4_10 F7_10 109(3) . . ?
F9_10 C4_10 F7_10 105(2) . . ?
F8_10 C4_10 C1_10 111(3) . . ?
F9_10 C4_10 C1_10 110(2) . . ?
F7_10 C4_10 C1_10 110(2) . . ?
C1_9 O1_9 Al01 151(2) . . ?
O1_9 C1_9 C2_9 113.5(16) . . ?
O1_9 C1_9 C3_9 110.0(16) . . ?
C2_9 C1_9 C3_9 109.7(13) . . ?
O1_9 C1_9 C4_9 110.2(14) . . ?
C2_9 C1_9 C4_9 105.5(12) . . ?
C3_9 C1_9 C4_9 107.7(13) . . ?
F3_9 C2_9 F1_9 108.7(19) . . ?
F3_9 C2_9 F2_9 108(2) . . ?
F1_9 C2_9 F2_9 107(2) . . ?
F3_9 C2_9 C1_9 108.8(14) . . ?
F1_9 C2_9 C1_9 110.5(15) . . ?
F2_9 C2_9 C1_9 114(2) . . ?
F5_9 C3_9 F4_9 107(2) . . ?
F5_9 C3_9 F6_9 102(2) . . ?
F4_9 C3_9 F6_9 114(2) . . ?
F5_9 C3_9 C1_9 111.7(17) . . ?
F4_9 C3_9 C1_9 110.0(15) . . ?
F6_9 C3_9 C1_9 112(2) . . ?
F9_9 C4_9 F7_9 106.3(18) . . ?
F9_9 C4_9 F8_9 112.2(19) . . ?
F7_9 C4_9 F8_9 110.2(18) . . ?
F9_9 C4_9 C1_9 110.7(13) . . ?
F7_9 C4_9 C1_9 108.0(15) . . ?
F8_9 C4_9 C1_9 109.3(15) . . ?
C1_8 O1_8 Al01 147.1(5) . . ?
O1_8 C1_8 C4_8 110.6(7) . . ?
O1_8 C1_8 C3_8 111.8(6) . . ?
C4_8 C1_8 C3_8 107.8(7) . . ?
O1_8 C1_8 C2_8 107.0(6) . . ?
C4_8 C1_8 C2_8 110.6(8) . . ?
C3_8 C1_8 C2_8 109.0(7) . . ?
F3_8 C2_8 F1_8 106.9(9) . . ?
F3_8 C2_8 F2_8 108.8(11) . . ?
F1_8 C2_8 F2_8 106.7(11) . . ?
F3_8 C2_8 C1_8 112.3(8) . . ?
F1_8 C2_8 C1_8 110.0(9) . . ?
F2_8 C2_8 C1_8 111.9(8) . . ?
F4_8 C3_8 F5_8 107.3(10) . . ?
F4_8 C3_8 F6_8 108.7(9) . . ?
F5_8 C3_8 F6_8 107.5(9) . . ?
F4_8 C3_8 C1_8 110.8(8) . . ?
F5_8 C3_8 C1_8 110.3(7) . . ?
F6_8 C3_8 C1_8 112.1(8) . . ?
F8_8 C4_8 F7_8 107.9(9) . . ?
F8_8 C4_8 F9_8 108.3(10) . . ?
F7_8 C4_8 F9_8 107.2(10) . . ?
F8_8 C4_8 C1_8 112.7(10) . . ?
F7_8 C4_8 C1_8 111.1(8) . . ?
F9_8 C4_8 C1_8 109.6(8) . . ?
C1_7 O1_7 Al01 149.7(5) . . ?
O1_7 C1_7 C2_7 110.6(5) . . ?
O1_7 C1_7 C3_7 107.5(5) . . ?
C2_7 C1_7 C3_7 108.1(6) . . ?
O1_7 C1_7 C4_7 110.7(6) . . ?
C2_7 C1_7 C4_7 109.7(7) . . ?
C3_7 C1_7 C4_7 110.2(6) . . ?
F3_7 C2_7 F1_7 108.4(8) . . ?
F3_7 C2_7 F2_7 108.0(7) . . ?
F1_7 C2_7 F2_7 106.4(8) . . ?
F3_7 C2_7 C1_7 110.7(7) . . ?
F1_7 C2_7 C1_7 110.1(7) . . ?
F2_7 C2_7 C1_7 112.9(6) . . ?
F5_7 C3_7 F6_7 108.3(7) . . ?
F5_7 C3_7 F4_7 106.7(8) . . ?
F6_7 C3_7 F4_7 107.5(7) . . ?
F5_7 C3_7 C1_7 111.5(6) . . ?
F6_7 C3_7 C1_7 112.5(6) . . ?
F4_7 C3_7 C1_7 110.0(7) . . ?
F9_7 C4_7 F8_7 108.5(8) . . ?
F9_7 C4_7 F7_7 108.4(9) . . ?
F8_7 C4_7 F7_7 107.4(8) . . ?
F9_7 C4_7 C1_7 110.7(7) . . ?
F8_7 C4_7 C1_7 112.3(7) . . ?
F7_7 C4_7 C1_7 109.4(8) . . ?
C1_6 O1_6 Al01 148.1(5) . . ?
O1_6 C1_6 C3_6 114.0(6) . . ?
O1_6 C1_6 C2_6 107.4(6) . . ?
C3_6 C1_6 C2_6 108.9(7) . . ?
O1_6 C1_6 C4_6 108.4(6) . . ?
C3_6 C1_6 C4_6 109.6(7) . . ?
C2_6 C1_6 C4_6 108.5(7) . . ?
F1_6 C2_6 F3_6 104.7(9) . . ?
F1_6 C2_6 F2_6 108.9(9) . . ?
F3_6 C2_6 F2_6 107.7(8) . . ?
F1_6 C2_6 C1_6 112.7(7) . . ?
F3_6 C2_6 C1_6 110.8(8) . . ?
F2_6 C2_6 C1_6 111.5(8) . . ?
F5_6 C3_6 F6_6 113.9(9) . . ?
F5_6 C3_6 F4_6 102.6(9) . . ?
F6_6 C3_6 F4_6 105.5(8) . . ?
F5_6 C3_6 C1_6 112.0(7) . . ?
F6_6 C3_6 C1_6 113.4(8) . . ?
F4_6 C3_6 C1_6 108.6(8) . . ?
F8_6 C4_6 F7_6 108.9(8) . . ?
F8_6 C4_6 F9_6 107.3(8) . . ?
F7_6 C4_6 F9_6 106.3(9) . . ?
F8_6 C4_6 C1_6 114.0(7) . . ?
F7_6 C4_6 C1_6 110.6(8) . . ?
F9_6 C4_6 C1_6 109.5(7) . . ?
C1_5 O1_5 Al01 143.1(10) . . ?
O1_5 C1_5 C4_5 111.9(9) . . ?
O1_5 C1_5 C2_5 111.9(10) . . ?
C4_5 C1_5 C2_5 109.0(9) . . ?
O1_5 C1_5 C3_5 106.0(9) . . ?
C4_5 C1_5 C3_5 110.0(9) . . ?
C2_5 C1_5 C3_5 107.9(9) . . ?
F3_5 C2_5 F2_5 109.6(14) . . ?
F3_5 C2_5 F1_5 105.9(10) . . ?
F2_5 C2_5 F1_5 107.5(14) . . ?
F3_5 C2_5 C1_5 111.8(9) . . ?
F2_5 C2_5 C1_5 112.0(13) . . ?
F1_5 C2_5 C1_5 109.7(9) . . ?
F5_5 C3_5 F4_5 107.8(12) . . ?
F5_5 C3_5 F6_5 112.3(13) . . ?
F4_5 C3_5 F6_5 106.5(12) . . ?
F5_5 C3_5 C1_5 109.9(10) . . ?
F4_5 C3_5 C1_5 108.6(10) . . ?
F6_5 C3_5 C1_5 111.6(10) . . ?
F9_5 C4_5 F7_5 107.3(10) . . ?
F9_5 C4_5 F8_5 107.4(10) . . ?
F7_5 C4_5 F8_5 106.0(10) . . ?
F9_5 C4_5 C1_5 110.1(8) . . ?
F7_5 C4_5 C1_5 110.8(9) . . ?
F8_5 C4_5 C1_5 114.9(10) . . ?
C1_4 O1_4 Al02 146.8(4) . . ?
O1_4 C1_4 C4_4 108.6(5) . . ?
O1_4 C1_4 C2_4 111.5(5) . . ?
C4_4 C1_4 C2_4 109.3(5) . . ?
O1_4 C1_4 C3_4 109.7(4) . . ?
C4_4 C1_4 C3_4 108.9(5) . . ?
C2_4 C1_4 C3_4 108.7(5) . . ?
F2_4 C2_4 F3_4 108.0(5) . . ?
F2_4 C2_4 F1_4 107.1(5) . . ?
F3_4 C2_4 F1_4 106.7(5) . . ?
F2_4 C2_4 C1_4 113.4(5) . . ?
F3_4 C2_4 C1_4 110.6(5) . . ?
F1_4 C2_4 C1_4 110.7(5) . . ?
F6_4 C3_4 F4_4 107.6(5) . . ?
F6_4 C3_4 F5_4 108.6(5) . . ?
F4_4 C3_4 F5_4 106.7(5) . . ?
F6_4 C3_4 C1_4 112.9(5) . . ?
F4_4 C3_4 C1_4 110.6(5) . . ?
F5_4 C3_4 C1_4 110.2(5) . . ?
F9_4 C4_4 F7_4 108.0(6) . . ?
F9_4 C4_4 F8_4 107.6(5) . . ?
F7_4 C4_4 F8_4 108.7(6) . . ?
F9_4 C4_4 C1_4 110.7(5) . . ?
F7_4 C4_4 C1_4 110.2(5) . . ?
F8_4 C4_4 C1_4 111.6(5) . . ?
C1_3 O1_3 Al02 148.9(4) . . ?
O1_3 C1_3 C2_3 109.0(5) . . ?
O1_3 C1_3 C4_3 112.1(5) . . ?
C2_3 C1_3 C4_3 108.5(5) . . ?
O1_3 C1_3 C3_3 109.7(5) . . ?
C2_3 C1_3 C3_3 109.4(5) . . ?
C4_3 C1_3 C3_3 108.1(5) . . ?
F1_3 C2_3 F2_3 108.8(5) . . ?
F1_3 C2_3 F3_3 107.1(5) . . ?
F2_3 C2_3 F3_3 106.6(5) . . ?
F1_3 C2_3 C1_3 111.2(5) . . ?
F2_3 C2_3 C1_3 113.0(5) . . ?
F3_3 C2_3 C1_3 110.0(5) . . ?
F4_3 C3_3 F6_3 108.5(6) . . ?
F4_3 C3_3 F5_3 107.8(6) . . ?
F6_3 C3_3 F5_3 108.0(6) . . ?
F4_3 C3_3 C1_3 110.6(5) . . ?
F6_3 C3_3 C1_3 112.2(5) . . ?
F5_3 C3_3 C1_3 109.6(5) . . ?
F7_3 C4_3 F8_3 108.1(5) . . ?
F7_3 C4_3 F9_3 106.9(5) . . ?
F8_3 C4_3 F9_3 106.6(5) . . ?
F7_3 C4_3 C1_3 111.8(5) . . ?
F8_3 C4_3 C1_3 112.7(5) . . ?
F9_3 C4_3 C1_3 110.4(5) . . ?
C1_2 O1_2 Al02 147.5(4) . . ?
O1_2 C1_2 C3_2 107.5(5) . . ?
O1_2 C1_2 C4_2 112.1(5) . . ?
C3_2 C1_2 C4_2 108.9(5) . . ?
O1_2 C1_2 C2_2 110.3(5) . . ?
C3_2 C1_2 C2_2 109.3(5) . . ?
C4_2 C1_2 C2_2 108.8(5) . . ?
F1_2 C2_2 F2_2 108.4(6) . . ?
F1_2 C2_2 F3_2 107.0(6) . . ?
F2_2 C2_2 F3_2 107.3(6) . . ?
F1_2 C2_2 C1_2 110.6(5) . . ?
F2_2 C2_2 C1_2 112.2(5) . . ?
F3_2 C2_2 C1_2 111.1(5) . . ?
F5_2 C3_2 F6_2 107.3(6) . . ?
F5_2 C3_2 F4_2 107.9(6) . . ?
F6_2 C3_2 F4_2 106.9(6) . . ?
F5_2 C3_2 C1_2 111.8(5) . . ?
F6_2 C3_2 C1_2 112.7(5) . . ?
F4_2 C3_2 C1_2 110.0(5) . . ?
F8_2 C4_2 F7_2 108.3(5) . . ?
F8_2 C4_2 F9_2 107.8(5) . . ?
F7_2 C4_2 F9_2 106.6(6) . . ?
F8_2 C4_2 C1_2 113.7(5) . . ?
F7_2 C4_2 C1_2 109.8(5) . . ?
F9_2 C4_2 C1_2 110.3(5) . . ?
C1_1 O1_1 Al02 147.3(4) . . ?
O1_1 C1_1 C2_1 108.9(5) . . ?
O1_1 C1_1 C4_1 112.5(5) . . ?
C2_1 C1_1 C4_1 109.4(6) . . ?
O1_1 C1_1 C3_1 106.9(5) . . ?
C2_1 C1_1 C3_1 109.6(6) . . ?
C4_1 C1_1 C3_1 109.6(6) . . ?
F1_1 C2_1 F3_1 106.1(7) . . ?
F1_1 C2_1 F2_1 111.0(9) . . ?
F3_1 C2_1 F2_1 105.0(8) . . ?
F1_1 C2_1 C1_1 112.1(8) . . ?
F3_1 C2_1 C1_1 110.5(6) . . ?
F2_1 C2_1 C1_1 111.8(7) . . ?
F6_1 C3_1 F5_1 107.5(7) . . ?
F6_1 C3_1 F4_1 108.0(9) . . ?
F5_1 C3_1 F4_1 106.4(6) . . ?
F6_1 C3_1 C1_1 112.6(6) . . ?
F5_1 C3_1 C1_1 112.1(6) . . ?
F4_1 C3_1 C1_1 109.9(6) . . ?
F9_1 C4_1 F7_1 107.1(7) . . ?
F9_1 C4_1 F8_1 107.9(7) . . ?
F7_1 C4_1 F8_1 108.3(7) . . ?
F9_1 C4_1 C1_1 111.0(6) . . ?
F7_1 C4_1 C1_1 110.5(6) . . ?
F8_1 C4_1 C1_1 111.8(6) . . ?
O1_5 Al01 O1_6 113.8(4) . . ?
O1_5 Al01 O1_7 109.0(4) . . ?
O1_6 Al01 O1_7 107.9(3) . . ?
O1_5 Al01 O1_8 105.4(5) . . ?
O1_6 Al01 O1_8 113.2(3) . . ?
O1_7 Al01 O1_8 107.3(3) . . ?
O1_6 Al01 O1_9 102.0(8) . . ?
O1_7 Al01 O1_9 118.0(8) . . ?
O1_6 Al01 O1_10 121.3(12) . . ?
O1_7 Al01 O1_10 115.2(12) . . ?
O1_9 Al01 O1_10 91.3(15) . . ?
O1_4 Al02 O1_2 113.3(2) . . ?
O1_4 Al02 O1_3 105.5(2) . . ?
O1_2 Al02 O1_3 107.8(2) . . ?
O1_4 Al02 O1_1 107.0(2) . . ?
O1_2 Al02 O1_1 111.1(2) . . ?
O1_3 Al02 O1_1 112.0(2) . . ?
N2 N1 H1A 109.5 . . ?
N2 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
N2 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
N1 N2 H2A 109.5 . . ?
N1 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
N1 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
N4 N3 H3A 109.5 . . ?
N4 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
N4 N3 H3C 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
N3 N4 H4A 109.5 . . ?
N3 N4 H4B 109.5 . . ?
H4A N4 H4B 109.5 . . ?
N3 N4 H4C 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
N2A N1A H1AA 109.5 . . ?
N2A N1A H1AB 109.5 . . ?
H1AA N1A H1AB 109.5 . . ?
N2A N1A H1AC 109.5 . . ?
H1AA N1A H1AC 109.5 . . ?
H1AB N1A H1AC 109.5 . . ?
N1A N2A H2AA 109.5 . . ?
N1A N2A H2AB 109.5 . . ?
H2AA N2A H2AB 109.5 . . ?
N1A N2A H2AC 109.5 . . ?
H2AA N2A H2AC 109.5 . . ?
H2AB N2A H2AC 109.5 . . ?

_refine_diff_density_max         0.708
_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.077

####################################################################### 
# 
# 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_p21c_all_a
_database_code_depnum_ccdc_archive 'CCDC 1960514'
loop_
_audit_author_name
_audit_author_address
'Manuel Schmitt'
;Universitaet Freiburg
Germany
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 Ag Al2 F55 O6'
_chemical_formula_weight         1591.07

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.151(2)
_cell_length_b                   10.2666(10)
_cell_length_c                   21.257(2)
_cell_angle_alpha                90
_cell_angle_beta                 112.868(3)
_cell_angle_gamma                90
_cell_volume                     4253.3(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9975
_cell_measurement_theta_min      4.479
_cell_measurement_theta_max      57.332

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.485
_exptl_crystal_F_000             3040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.801
_shelx_estimated_absorpt_T_min   0.740
_shelx_estimated_absorpt_T_max   0.924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6891
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            108933
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.045
_diffrn_reflns_theta_max         28.740
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10998
_reflns_number_gt                9802
_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       'Apex2 v2013.6-2'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'OLEX2 v1.2'
_computing_publication_material  ShelXle-915
_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)+(0.0187P)²+5.5029P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10998
_refine_ls_number_parameters     794
_refine_ls_number_restraints     6058
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0675
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_restrained_S_all      0.943
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
O1_6 O 0.13742(7) 0.65979(13) 0.46680(7) 0.0132(3) Uani 1 1 d D U . . .
C1_6 C 0.10079(9) 0.76396(18) 0.47420(9) 0.0113(3) Uani 1 1 d D U . . .
C2_6 C 0.12759(10) 0.80272(19) 0.55110(10) 0.0143(4) Uani 1 1 d D U . . .
F1_6 F 0.10707(6) 0.71727(12) 0.58638(6) 0.0186(2) Uani 1 1 d D U . . .
F2_6 F 0.10456(6) 0.91958(11) 0.55973(6) 0.0203(3) Uani 1 1 d D U . . .
F3_6 F 0.19550(6) 0.80571(13) 0.57803(6) 0.0215(3) Uani 1 1 d D U . . .
C3_6 C 0.10806(10) 0.88225(19) 0.43189(10) 0.0166(4) Uani 1 1 d D U . . .
F4_6 F 0.10249(7) 0.84465(12) 0.37027(6) 0.0210(3) Uani 1 1 d D U . . .
F5_6 F 0.16981(7) 0.93838(13) 0.46202(7) 0.0248(3) Uani 1 1 d D U . . .
F6_6 F 0.06103(7) 0.97353(12) 0.42424(7) 0.0274(3) Uani 1 1 d D U . . .
C4_6 C 0.02354(10) 0.7265(2) 0.45012(10) 0.0159(4) Uani 1 1 d D U . . .
F7_6 F -0.00619(6) 0.72209(14) 0.38223(6) 0.0250(3) Uani 1 1 d D U . . .
F8_6 F -0.01120(6) 0.81158(13) 0.47183(7) 0.0216(3) Uani 1 1 d D U . . .
F9_6 F 0.01721(6) 0.61008(12) 0.47373(7) 0.0231(3) Uani 1 1 d D U . . .
O1_5 O 0.20789(7) 0.64831(15) 0.37354(7) 0.0190(3) Uani 1 1 d D U . . .
C1_5 C 0.24958(10) 0.69504(18) 0.34405(9) 0.0128(4) Uani 1 1 d D U . . .
C2_5 C 0.30432(11) 0.5911(2) 0.34762(11) 0.0208(4) Uani 1 1 d D U . . .
F1_5 F 0.35179(7) 0.58269(14) 0.41110(7) 0.0297(3) Uani 1 1 d D U . . .
F2_5 F 0.33564(8) 0.61704(16) 0.30589(8) 0.0369(4) Uani 1 1 d D U . . .
F3_5 F 0.27515(8) 0.47491(13) 0.33146(8) 0.0349(3) Uani 1 1 d D U . . .
C3_5 C 0.20564(11) 0.7287(2) 0.26792(10) 0.0202(4) Uani 1 1 d D U . . .
F4_5 F 0.14645(7) 0.78173(14) 0.26196(7) 0.0270(3) Uani 1 1 d D U . . .
F5_5 F 0.19183(8) 0.62271(15) 0.22900(7) 0.0335(3) Uani 1 1 d D U . . .
F6_5 F 0.23791(7) 0.81234(15) 0.24305(7) 0.0315(3) Uani 1 1 d D U . . .
C4_5 C 0.28584(11) 0.8199(2) 0.38161(12) 0.0236(4) Uani 1 1 d D U . . .
F7_5 F 0.24253(7) 0.92073(13) 0.36454(8) 0.0318(3) Uani 1 1 d D U . . .
F8_5 F 0.33997(7) 0.85075(15) 0.36733(9) 0.0409(4) Uani 1 1 d D U . . .
F9_5 F 0.30681(9) 0.80443(15) 0.44847(7) 0.0405(4) Uani 1 1 d D U . . .
O1_4 O 0.15069(6) 0.41425(13) 0.40147(6) 0.0110(3) Uani 1 1 d D U . . .
C1_4 C 0.09499(9) 0.36371(18) 0.34767(9) 0.0113(3) Uani 1 1 d D U . . .
C2_4 C 0.06011(10) 0.46733(19) 0.29138(10) 0.0168(4) Uani 1 1 d D U . . .
F1_4 F 0.06256(6) 0.58342(11) 0.32090(6) 0.0193(2) Uani 1 1 d D U . . .
F2_4 F -0.00516(7) 0.43907(13) 0.25473(7) 0.0292(3) Uani 1 1 d D U . . .
F3_4 F 0.09211(7) 0.47938(13) 0.24914(6) 0.0255(3) Uani 1 1 d D U . . .
C3_4 C 0.12007(10) 0.24961(19) 0.31526(10) 0.0146(4) Uani 1 1 d D U . . .
F4_4 F 0.13669(6) 0.14564(11) 0.35758(6) 0.0179(2) Uani 1 1 d D U . . .
F5_4 F 0.17594(6) 0.28278(12) 0.30565(6) 0.0211(3) Uani 1 1 d D U . . .
F6_4 F 0.07262(7) 0.21116(12) 0.25647(6) 0.0230(3) Uani 1 1 d D U . . .
C4_4 C 0.04194(10) 0.3122(2) 0.37607(10) 0.0170(4) Uani 1 1 d D U . . .
F7_4 F 0.07478(7) 0.25124(12) 0.43552(6) 0.0218(3) Uani 1 1 d D U . . .
F8_4 F -0.00234(6) 0.22866(13) 0.33412(7) 0.0242(3) Uani 1 1 d D U . . .
F9_4 F 0.00748(7) 0.41084(13) 0.38789(7) 0.0267(3) Uani 1 1 d D U . . .
O1_3 O 0.34305(7) 0.32912(13) 0.51489(7) 0.0126(3) Uani 1 1 d D U . . .
C1_3 C 0.38800(9) 0.23390(18) 0.51318(10) 0.0127(3) Uani 1 1 d D U . . .
C2_3 C 0.38057(10) 0.1122(2) 0.55322(11) 0.0175(4) Uani 1 1 d D U . . .
F1_3 F 0.38551(7) 0.14526(14) 0.61518(6) 0.0255(3) Uani 1 1 d D U . . .
F2_3 F 0.42636(8) 0.02115(14) 0.55896(8) 0.0344(3) Uani 1 1 d D U . . .
F3_3 F 0.31759(7) 0.05954(12) 0.52154(7) 0.0247(3) Uani 1 1 d D U . . .
C3_3 C 0.36893(11) 0.1980(2) 0.43685(10) 0.0173(4) Uani 1 1 d D U . . .
F4_3 F 0.38538(7) 0.29250(13) 0.40400(6) 0.0241(3) Uani 1 1 d D U . . .
F5_3 F 0.30087(7) 0.18007(14) 0.40583(6) 0.0265(3) Uani 1 1 d D U . . .
F6_3 F 0.39879(8) 0.08911(14) 0.42964(7) 0.0340(3) Uani 1 1 d D U . . .
C4_3 C 0.46332(10) 0.2842(2) 0.54475(11) 0.0208(4) Uani 1 1 d D U . . .
F7_3 F 0.46830(7) 0.39836(13) 0.51816(7) 0.0274(3) Uani 1 1 d D U . . .
F8_3 F 0.50596(7) 0.20306(15) 0.53224(9) 0.0387(4) Uani 1 1 d D U . . .
F9_3 F 0.48304(7) 0.30008(14) 0.61140(7) 0.0292(3) Uani 1 1 d D U . . .
O1_2 O 0.26755(7) 0.32697(13) 0.59096(7) 0.0119(3) Uani 1 1 d D U . . .
C1_2 C 0.24089(9) 0.31241(18) 0.64035(9) 0.0122(3) Uani 1 1 d D U . . .
C2_2 C 0.20965(12) 0.1731(2) 0.63244(11) 0.0205(4) Uani 1 1 d D U . . .
F1_2 F 0.17358(8) 0.14712(14) 0.56594(7) 0.0297(3) Uani 1 1 d D U . . .
F2_2 F 0.16707(7) 0.16026(14) 0.66413(7) 0.0290(3) Uani 1 1 d D U . . .
F3_2 F 0.25825(8) 0.08462(13) 0.65564(8) 0.0327(3) Uani 1 1 d D U . . .
C3_2 C 0.29750(10) 0.3273(2) 0.71348(10) 0.0169(4) Uani 1 1 d D U . . .
F4_2 F 0.31003(7) 0.45206(13) 0.73015(6) 0.0229(3) Uani 1 1 d D U . . .
F5_2 F 0.35540(7) 0.27354(15) 0.71676(7) 0.0281(3) Uani 1 1 d D U . . .
F6_2 F 0.27876(7) 0.27131(14) 0.75995(6) 0.0279(3) Uani 1 1 d D U . . .
C4_2 C 0.18433(10) 0.4164(2) 0.62821(10) 0.0180(4) Uani 1 1 d D U . . .
F7_2 F 0.20802(7) 0.53172(12) 0.61879(7) 0.0222(3) Uani 1 1 d D U . . .
F8_2 F 0.16365(7) 0.42553(14) 0.67949(7) 0.0283(3) Uani 1 1 d D U . . .
F9_2 F 0.12977(6) 0.38955(15) 0.57131(7) 0.0292(3) Uani 1 1 d D U . . .
O1_1 O 0.37373(7) 0.52425(13) 0.62804(7) 0.0151(3) Uani 1 1 d D U . . .
C1_1 C 0.41297(9) 0.63129(18) 0.65437(9) 0.0115(3) Uani 1 1 d D U . . .
C2_1 C 0.45915(10) 0.6042(2) 0.73056(10) 0.0202(4) Uani 1 1 d D U . . .
F1_1 F 0.42433(7) 0.61592(15) 0.77040(6) 0.0293(3) Uani 1 1 d D U . . .
F2_1 F 0.51157(7) 0.68746(15) 0.75303(7) 0.0301(3) Uani 1 1 d D U . . .
F3_1 F 0.48401(7) 0.48456(14) 0.73754(7) 0.0325(3) Uani 1 1 d D U . . .
C3_1 C 0.45897(10) 0.6609(2) 0.61426(11) 0.0192(4) Uani 1 1 d D U . . .
F4_1 F 0.42243(7) 0.64621(15) 0.54757(7) 0.0301(3) Uani 1 1 d D U . . .
F5_1 F 0.51132(6) 0.57837(13) 0.63155(7) 0.0249(3) Uani 1 1 d D U . . .
F6_1 F 0.48409(7) 0.78123(13) 0.62459(8) 0.0309(3) Uani 1 1 d D U . . .
C4_1 C 0.36552(10) 0.74958(19) 0.64948(11) 0.0165(4) Uani 1 1 d D U . . .
F7_1 F 0.33518(7) 0.78854(13) 0.58481(7) 0.0260(3) Uani 1 1 d D U . . .
F8_1 F 0.39936(7) 0.85057(13) 0.68644(8) 0.0311(3) Uani 1 1 d D U . . .
F9_1 F 0.31666(6) 0.71654(13) 0.67081(7) 0.0220(3) Uani 1 1 d D U . . .
Ag1 Ag 0.21589(2) 0.23098(2) 0.47526(2) 0.01521(4) Uani 1 1 d . . . . .
Al1 Al 0.31891(3) 0.43097(5) 0.56637(3) 0.00880(10) Uani 1 1 d D . . . .
F1 F 0.25646(5) 0.52376(10) 0.50089(5) 0.0110(2) Uani 1 1 d . . . . .
Al2 Al 0.18162(3) 0.57321(5) 0.42925(3) 0.00875(10) Uani 1 1 d D . . . .


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_6 C1_6 1.365(2) . ?
O1_6 Al2 1.6974(14) . ?
C1_6 C3_6 1.554(3) . ?
C1_6 C4_6 1.559(3) . ?
C1_6 C2_6 1.560(3) . ?
C2_6 F3_6 1.324(2) . ?
C2_6 F1_6 1.332(2) . ?
C2_6 F2_6 1.334(2) . ?
C3_6 F4_6 1.326(2) . ?
C3_6 F6_6 1.330(2) . ?
C3_6 F5_6 1.341(2) . ?
C4_6 F9_6 1.323(2) . ?
C4_6 F7_6 1.332(2) . ?
C4_6 F8_6 1.334(2) . ?
O1_5 C1_5 1.353(2) . ?
O1_5 Al2 1.6785(15) . ?
C1_5 C4_5 1.547(3) . ?
C1_5 C2_5 1.555(3) . ?
C1_5 C3_5 1.560(3) . ?
C2_5 F2_5 1.324(3) . ?
C2_5 F3_5 1.325(3) . ?
C2_5 F1_5 1.336(3) . ?
C3_5 F4_5 1.325(2) . ?
C3_5 F6_5 1.328(2) . ?
C3_5 F5_5 1.329(3) . ?
C4_5 F9_5 1.324(3) . ?
C4_5 F8_5 1.332(3) . ?
C4_5 F7_5 1.336(3) . ?
O1_4 C1_4 1.385(2) . ?
O1_4 Al2 1.7719(14) . ?
O1_4 Ag1 2.4943(13) . ?
C1_4 C3_4 1.553(3) . ?
C1_4 C2_4 1.556(3) . ?
C1_4 C4_4 1.559(3) . ?
C2_4 F3_4 1.324(2) . ?
C2_4 F2_4 1.327(2) . ?
C2_4 F1_4 1.339(2) . ?
C3_4 F5_4 1.320(2) . ?
C3_4 F6_4 1.323(2) . ?
C3_4 F4_4 1.352(2) . ?
F4_4 Ag1 2.5641(12) . ?
C4_4 F8_4 1.326(2) . ?
C4_4 F9_4 1.328(2) . ?
C4_4 F7_4 1.338(2) . ?
O1_3 C1_3 1.374(2) . ?
O1_3 Al1 1.7280(14) . ?
C1_3 C2_3 1.554(3) . ?
C1_3 C3_3 1.557(3) . ?
C1_3 C4_3 1.557(3) . ?
C2_3 F2_3 1.317(2) . ?
C2_3 F1_3 1.324(2) . ?
C2_3 F3_3 1.350(2) . ?
C3_3 F4_3 1.319(2) . ?
C3_3 F6_3 1.322(2) . ?
C3_3 F5_3 1.343(2) . ?
C4_3 F9_3 1.322(3) . ?
C4_3 F7_3 1.323(3) . ?
C4_3 F8_3 1.329(2) . ?
O1_2 C1_2 1.379(2) . ?
O1_2 Al1 1.7421(14) . ?
O1_2 Ag1 2.4749(13) . ?
C1_2 C4_2 1.549(3) . ?
C1_2 C2_2 1.557(3) . ?
C1_2 C3_2 1.558(3) . ?
C2_2 F3_2 1.316(3) . ?
C2_2 F2_2 1.324(2) . ?
C2_2 F1_2 1.346(2) . ?
F1_2 Ag1 2.5688(13) . ?
C3_2 F5_2 1.320(2) . ?
C3_2 F4_2 1.328(2) . ?
C3_2 F6_2 1.330(2) . ?
C4_2 F8_2 1.326(2) . ?
C4_2 F7_2 1.330(2) . ?
C4_2 F9_2 1.337(2) . ?
O1_1 C1_1 1.360(2) . ?
O1_1 Al1 1.6729(14) . ?
C1_1 C3_1 1.553(3) . ?
C1_1 C4_1 1.553(3) . ?
C1_1 C2_1 1.557(3) . ?
C2_1 F3_1 1.322(3) . ?
C2_1 F1_1 1.326(3) . ?
C2_1 F2_1 1.333(2) . ?
C3_1 F5_1 1.327(2) . ?
C3_1 F6_1 1.329(2) . ?
C3_1 F4_1 1.334(3) . ?
C4_1 F9_1 1.324(2) . ?
C4_1 F8_1 1.329(2) . ?
C4_1 F7_1 1.333(2) . ?
Al1 F1 1.7779(12) . ?
F1 Al2 1.7914(12) . ?

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_6 O1_6 Al2 154.88(13) . . ?
O1_6 C1_6 C3_6 110.94(15) . . ?
O1_6 C1_6 C4_6 109.76(15) . . ?
C3_6 C1_6 C4_6 109.26(15) . . ?
O1_6 C1_6 C2_6 109.23(15) . . ?
C3_6 C1_6 C2_6 109.26(15) . . ?
C4_6 C1_6 C2_6 108.35(15) . . ?
F3_6 C2_6 F1_6 107.95(16) . . ?
F3_6 C2_6 F2_6 108.21(16) . . ?
F1_6 C2_6 F2_6 107.37(15) . . ?
F3_6 C2_6 C1_6 110.52(15) . . ?
F1_6 C2_6 C1_6 110.92(15) . . ?
F2_6 C2_6 C1_6 111.73(15) . . ?
F4_6 C3_6 F6_6 108.01(16) . . ?
F4_6 C3_6 F5_6 107.04(16) . . ?
F6_6 C3_6 F5_6 107.40(17) . . ?
F4_6 C3_6 C1_6 110.69(16) . . ?
F6_6 C3_6 C1_6 112.58(16) . . ?
F5_6 C3_6 C1_6 110.89(16) . . ?
F9_6 C4_6 F7_6 107.80(16) . . ?
F9_6 C4_6 F8_6 108.05(16) . . ?
F7_6 C4_6 F8_6 107.77(16) . . ?
F9_6 C4_6 C1_6 110.25(16) . . ?
F7_6 C4_6 C1_6 110.93(16) . . ?
F8_6 C4_6 C1_6 111.88(16) . . ?
C1_5 O1_5 Al2 160.72(14) . . ?
O1_5 C1_5 C4_5 109.66(16) . . ?
O1_5 C1_5 C2_5 109.95(16) . . ?
C4_5 C1_5 C2_5 109.47(16) . . ?
O1_5 C1_5 C3_5 109.05(16) . . ?
C4_5 C1_5 C3_5 109.14(16) . . ?
C2_5 C1_5 C3_5 109.56(16) . . ?
F2_5 C2_5 F3_5 108.14(18) . . ?
F2_5 C2_5 F1_5 108.32(18) . . ?
F3_5 C2_5 F1_5 107.17(18) . . ?
F2_5 C2_5 C1_5 112.72(17) . . ?
F3_5 C2_5 C1_5 110.02(17) . . ?
F1_5 C2_5 C1_5 110.29(17) . . ?
F4_5 C3_5 F6_5 107.99(18) . . ?
F4_5 C3_5 F5_5 107.82(18) . . ?
F6_5 C3_5 F5_5 107.72(17) . . ?
F4_5 C3_5 C1_5 110.49(16) . . ?
F6_5 C3_5 C1_5 111.41(17) . . ?
F5_5 C3_5 C1_5 111.27(17) . . ?
F9_5 C4_5 F8_5 108.32(19) . . ?
F9_5 C4_5 F7_5 107.03(19) . . ?
F8_5 C4_5 F7_5 108.26(19) . . ?
F9_5 C4_5 C1_5 110.30(18) . . ?
F8_5 C4_5 C1_5 112.16(18) . . ?
F7_5 C4_5 C1_5 110.60(17) . . ?
C1_4 O1_4 Al2 134.89(12) . . ?
C1_4 O1_4 Ag1 108.77(10) . . ?
Al2 O1_4 Ag1 116.28(6) . . ?
O1_4 C1_4 C3_4 108.74(15) . . ?
O1_4 C1_4 C2_4 112.07(15) . . ?
C3_4 C1_4 C2_4 108.43(15) . . ?
O1_4 C1_4 C4_4 108.47(15) . . ?
C3_4 C1_4 C4_4 109.70(15) . . ?
C2_4 C1_4 C4_4 109.41(15) . . ?
F3_4 C2_4 F2_4 108.16(17) . . ?
F3_4 C2_4 F1_4 107.34(16) . . ?
F2_4 C2_4 F1_4 108.17(16) . . ?
F3_4 C2_4 C1_4 111.77(16) . . ?
F2_4 C2_4 C1_4 112.09(16) . . ?
F1_4 C2_4 C1_4 109.14(15) . . ?
F5_4 C3_4 F6_4 109.09(16) . . ?
F5_4 C3_4 F4_4 106.85(15) . . ?
F6_4 C3_4 F4_4 107.39(15) . . ?
F5_4 C3_4 C1_4 110.78(15) . . ?
F6_4 C3_4 C1_4 112.31(16) . . ?
F4_4 C3_4 C1_4 110.23(15) . . ?
C3_4 F4_4 Ag1 106.37(10) . . ?
F8_4 C4_4 F9_4 108.93(16) . . ?
F8_4 C4_4 F7_4 107.74(16) . . ?
F9_4 C4_4 F7_4 107.44(17) . . ?
F8_4 C4_4 C1_4 112.69(16) . . ?
F9_4 C4_4 C1_4 110.18(16) . . ?
F7_4 C4_4 C1_4 109.70(16) . . ?
C1_3 O1_3 Al1 145.61(12) . . ?
O1_3 C1_3 C2_3 109.83(15) . . ?
O1_3 C1_3 C3_3 107.13(15) . . ?
C2_3 C1_3 C3_3 109.88(16) . . ?
O1_3 C1_3 C4_3 110.80(16) . . ?
C2_3 C1_3 C4_3 109.58(16) . . ?
C3_3 C1_3 C4_3 109.59(16) . . ?
F2_3 C2_3 F1_3 108.58(17) . . ?
F2_3 C2_3 F3_3 108.02(17) . . ?
F1_3 C2_3 F3_3 106.25(16) . . ?
F2_3 C2_3 C1_3 113.22(16) . . ?
F1_3 C2_3 C1_3 110.68(16) . . ?
F3_3 C2_3 C1_3 109.83(16) . . ?
F4_3 C3_3 F6_3 108.94(17) . . ?
F4_3 C3_3 F5_3 107.09(17) . . ?
F6_3 C3_3 F5_3 107.26(17) . . ?
F4_3 C3_3 C1_3 111.26(16) . . ?
F6_3 C3_3 C1_3 112.29(17) . . ?
F5_3 C3_3 C1_3 109.78(16) . . ?
F9_3 C4_3 F7_3 107.72(17) . . ?
F9_3 C4_3 F8_3 109.61(18) . . ?
F7_3 C4_3 F8_3 107.29(18) . . ?
F9_3 C4_3 C1_3 110.28(17) . . ?
F7_3 C4_3 C1_3 110.36(17) . . ?
F8_3 C4_3 C1_3 111.47(17) . . ?
C1_2 O1_2 Al1 141.43(12) . . ?
C1_2 O1_2 Ag1 124.06(11) . . ?
Al1 O1_2 Ag1 91.82(6) . . ?
O1_2 C1_2 C4_2 108.44(15) . . ?
O1_2 C1_2 C2_2 107.41(15) . . ?
C4_2 C1_2 C2_2 110.33(16) . . ?
O1_2 C1_2 C3_2 111.46(15) . . ?
C4_2 C1_2 C3_2 110.06(16) . . ?
C2_2 C1_2 C3_2 109.10(16) . . ?
F3_2 C2_2 F2_2 109.11(17) . . ?
F3_2 C2_2 F1_2 107.35(18) . . ?
F2_2 C2_2 F1_2 107.12(17) . . ?
F3_2 C2_2 C1_2 110.89(17) . . ?
F2_2 C2_2 C1_2 112.37(17) . . ?
F1_2 C2_2 C1_2 109.81(16) . . ?
C2_2 F1_2 Ag1 120.06(11) . . ?
F5_2 C3_2 F4_2 107.71(17) . . ?
F5_2 C3_2 F6_2 108.56(17) . . ?
F4_2 C3_2 F6_2 107.76(17) . . ?
F5_2 C3_2 C1_2 110.44(16) . . ?
F4_2 C3_2 C1_2 110.93(16) . . ?
F6_2 C3_2 C1_2 111.32(16) . . ?
F8_2 C4_2 F7_2 108.96(17) . . ?
F8_2 C4_2 F9_2 108.30(16) . . ?
F7_2 C4_2 F9_2 106.90(17) . . ?
F8_2 C4_2 C1_2 113.07(17) . . ?
F7_2 C4_2 C1_2 109.08(15) . . ?
F9_2 C4_2 C1_2 110.35(17) . . ?
C1_1 O1_1 Al1 155.72(13) . . ?
O1_1 C1_1 C3_1 110.16(16) . . ?
O1_1 C1_1 C4_1 109.23(15) . . ?
C3_1 C1_1 C4_1 109.69(16) . . ?
O1_1 C1_1 C2_1 108.64(15) . . ?
C3_1 C1_1 C2_1 109.41(15) . . ?
C4_1 C1_1 C2_1 109.69(16) . . ?
F3_1 C2_1 F1_1 107.95(18) . . ?
F3_1 C2_1 F2_1 108.45(17) . . ?
F1_1 C2_1 F2_1 107.71(17) . . ?
F3_1 C2_1 C1_1 110.12(17) . . ?
F1_1 C2_1 C1_1 111.62(16) . . ?
F2_1 C2_1 C1_1 110.88(17) . . ?
F5_1 C3_1 F6_1 108.10(16) . . ?
F5_1 C3_1 F4_1 107.38(17) . . ?
F6_1 C3_1 F4_1 108.05(18) . . ?
F5_1 C3_1 C1_1 110.88(17) . . ?
F6_1 C3_1 C1_1 112.76(17) . . ?
F4_1 C3_1 C1_1 109.49(16) . . ?
F9_1 C4_1 F8_1 108.07(17) . . ?
F9_1 C4_1 F7_1 107.64(16) . . ?
F8_1 C4_1 F7_1 107.96(17) . . ?
F9_1 C4_1 C1_1 110.30(16) . . ?
F8_1 C4_1 C1_1 112.63(16) . . ?
F7_1 C4_1 C1_1 110.08(16) . . ?
O1_2 Ag1 O1_4 104.32(4) . . ?
O1_2 Ag1 F4_4 166.99(4) . . ?
O1_4 Ag1 F4_4 69.65(4) . . ?
O1_2 Ag1 F1_2 62.34(4) . . ?
O1_4 Ag1 F1_2 117.13(5) . . ?
F4_4 Ag1 F1_2 109.36(4) . . ?
O1_2 Ag1 Al1 34.53(3) . . ?
O1_4 Ag1 Al1 88.61(3) . . ?
F4_4 Ag1 Al1 151.40(3) . . ?
F1_2 Ag1 Al1 96.87(3) . . ?
O1_1 Al1 O1_3 123.87(7) . . ?
O1_1 Al1 O1_2 116.03(7) . . ?
O1_3 Al1 O1_2 101.03(7) . . ?
O1_1 Al1 F1 112.62(7) . . ?
O1_3 Al1 F1 98.10(6) . . ?
O1_2 Al1 F1 101.72(6) . . ?
O1_1 Al1 Ag1 169.29(6) . . ?
O1_3 Al1 Ag1 60.53(5) . . ?
O1_2 Al1 Ag1 53.64(5) . . ?
F1 Al1 Ag1 74.65(4) . . ?
Al1 F1 Al2 163.67(7) . . ?
O1_5 Al2 O1_6 119.02(8) . . ?
O1_5 Al2 O1_4 111.62(8) . . ?
O1_6 Al2 O1_4 116.08(7) . . ?
O1_5 Al2 F1 107.73(7) . . ?
O1_6 Al2 F1 102.41(6) . . ?
O1_4 Al2 F1 96.44(6) . . ?

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
Al2 O1_6 C1_6 C3_6 -15.0(4) . . . . ?
Al2 O1_6 C1_6 C4_6 105.8(3) . . . . ?
Al2 O1_6 C1_6 C2_6 -135.5(3) . . . . ?
O1_6 C1_6 C2_6 F3_6 45.8(2) . . . . ?
C3_6 C1_6 C2_6 F3_6 -75.71(19) . . . . ?
C4_6 C1_6 C2_6 F3_6 165.34(15) . . . . ?
O1_6 C1_6 C2_6 F1_6 -73.88(19) . . . . ?
C3_6 C1_6 C2_6 F1_6 164.60(15) . . . . ?
C4_6 C1_6 C2_6 F1_6 45.7(2) . . . . ?
O1_6 C1_6 C2_6 F2_6 166.36(15) . . . . ?
C3_6 C1_6 C2_6 F2_6 44.8(2) . . . . ?
C4_6 C1_6 C2_6 F2_6 -74.11(19) . . . . ?
O1_6 C1_6 C3_6 F4_6 43.7(2) . . . . ?
C4_6 C1_6 C3_6 F4_6 -77.44(19) . . . . ?
C2_6 C1_6 C3_6 F4_6 164.19(15) . . . . ?
O1_6 C1_6 C3_6 F6_6 164.71(16) . . . . ?
C4_6 C1_6 C3_6 F6_6 43.6(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 -74.8(2) . . . . ?
O1_6 C1_6 C3_6 F5_6 -74.9(2) . . . . ?
C4_6 C1_6 C3_6 F5_6 163.92(15) . . . . ?
C2_6 C1_6 C3_6 F5_6 45.5(2) . . . . ?
O1_6 C1_6 C4_6 F9_6 44.0(2) . . . . ?
C3_6 C1_6 C4_6 F9_6 165.83(15) . . . . ?
C2_6 C1_6 C4_6 F9_6 -75.23(19) . . . . ?
O1_6 C1_6 C4_6 F7_6 -75.4(2) . . . . ?
C3_6 C1_6 C4_6 F7_6 46.5(2) . . . . ?
C2_6 C1_6 C4_6 F7_6 165.43(16) . . . . ?
O1_6 C1_6 C4_6 F8_6 164.24(15) . . . . ?
C3_6 C1_6 C4_6 F8_6 -73.9(2) . . . . ?
C2_6 C1_6 C4_6 F8_6 45.0(2) . . . . ?
Al2 O1_5 C1_5 C4_5 -77.5(5) . . . . ?
Al2 O1_5 C1_5 C2_5 42.9(5) . . . . ?
Al2 O1_5 C1_5 C3_5 163.1(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 164.57(17) . . . . ?
C4_5 C1_5 C2_5 F2_5 -74.9(2) . . . . ?
C3_5 C1_5 C2_5 F2_5 44.7(2) . . . . ?
O1_5 C1_5 C2_5 F3_5 43.8(2) . . . . ?
C4_5 C1_5 C2_5 F3_5 164.32(17) . . . . ?
C3_5 C1_5 C2_5 F3_5 -76.0(2) . . . . ?
O1_5 C1_5 C2_5 F1_5 -74.2(2) . . . . ?
C4_5 C1_5 C2_5 F1_5 46.3(2) . . . . ?
C3_5 C1_5 C2_5 F1_5 165.96(17) . . . . ?
O1_5 C1_5 C3_5 F4_5 39.2(2) . . . . ?
C4_5 C1_5 C3_5 F4_5 -80.5(2) . . . . ?
C2_5 C1_5 C3_5 F4_5 159.61(17) . . . . ?
O1_5 C1_5 C3_5 F6_5 159.28(17) . . . . ?
C4_5 C1_5 C3_5 F6_5 39.5(2) . . . . ?
C2_5 C1_5 C3_5 F6_5 -80.3(2) . . . . ?
O1_5 C1_5 C3_5 F5_5 -80.5(2) . . . . ?
C4_5 C1_5 C3_5 F5_5 159.73(17) . . . . ?
C2_5 C1_5 C3_5 F5_5 39.9(2) . . . . ?
O1_5 C1_5 C4_5 F9_5 42.6(2) . . . . ?
C2_5 C1_5 C4_5 F9_5 -78.1(2) . . . . ?
C3_5 C1_5 C4_5 F9_5 162.02(17) . . . . ?
O1_5 C1_5 C4_5 F8_5 163.45(17) . . . . ?
C2_5 C1_5 C4_5 F8_5 42.7(2) . . . . ?
C3_5 C1_5 C4_5 F8_5 -77.2(2) . . . . ?
O1_5 C1_5 C4_5 F7_5 -75.6(2) . . . . ?
C2_5 C1_5 C4_5 F7_5 163.71(17) . . . . ?
C3_5 C1_5 C4_5 F7_5 43.8(2) . . . . ?
Al2 O1_4 C1_4 C3_4 134.50(15) . . . . ?
Ag1 O1_4 C1_4 C3_4 -48.51(15) . . . . ?
Al2 O1_4 C1_4 C2_4 14.6(2) . . . . ?
Ag1 O1_4 C1_4 C2_4 -168.37(12) . . . . ?
Al2 O1_4 C1_4 C4_4 -106.25(17) . . . . ?
Ag1 O1_4 C1_4 C4_4 70.74(15) . . . . ?
O1_4 C1_4 C2_4 F3_4 82.70(19) . . . . ?
C3_4 C1_4 C2_4 F3_4 -37.3(2) . . . . ?
C4_4 C1_4 C2_4 F3_4 -156.95(16) . . . . ?
O1_4 C1_4 C2_4 F2_4 -155.67(16) . . . . ?
C3_4 C1_4 C2_4 F2_4 84.3(2) . . . . ?
C4_4 C1_4 C2_4 F2_4 -35.3(2) . . . . ?
O1_4 C1_4 C2_4 F1_4 -35.9(2) . . . . ?
C3_4 C1_4 C2_4 F1_4 -155.91(15) . . . . ?
C4_4 C1_4 C2_4 F1_4 84.48(19) . . . . ?
O1_4 C1_4 C3_4 F5_4 -46.6(2) . . . . ?
C2_4 C1_4 C3_4 F5_4 75.50(19) . . . . ?
C4_4 C1_4 C3_4 F5_4 -165.07(15) . . . . ?
O1_4 C1_4 C3_4 F6_4 -168.85(15) . . . . ?
C2_4 C1_4 C3_4 F6_4 -46.8(2) . . . . ?
C4_4 C1_4 C3_4 F6_4 72.7(2) . . . . ?
O1_4 C1_4 C3_4 F4_4 71.45(19) . . . . ?
C2_4 C1_4 C3_4 F4_4 -166.45(15) . . . . ?
C4_4 C1_4 C3_4 F4_4 -47.0(2) . . . . ?
F5_4 C3_4 F4_4 Ag1 70.69(14) . . . . ?
F6_4 C3_4 F4_4 Ag1 -172.38(11) . . . . ?
C1_4 C3_4 F4_4 Ag1 -49.75(15) . . . . ?
O1_4 C1_4 C4_4 F8_4 -160.97(16) . . . . ?
C3_4 C1_4 C4_4 F8_4 -42.3(2) . . . . ?
C2_4 C1_4 C4_4 F8_4 76.5(2) . . . . ?
O1_4 C1_4 C4_4 F9_4 77.14(19) . . . . ?
C3_4 C1_4 C4_4 F9_4 -164.21(15) . . . . ?
C2_4 C1_4 C4_4 F9_4 -45.4(2) . . . . ?
O1_4 C1_4 C4_4 F7_4 -40.9(2) . . . . ?
C3_4 C1_4 C4_4 F7_4 77.71(19) . . . . ?
C2_4 C1_4 C4_4 F7_4 -163.46(15) . . . . ?
Al1 O1_3 C1_3 C2_3 61.0(3) . . . . ?
Al1 O1_3 C1_3 C3_3 -179.74(17) . . . . ?
Al1 O1_3 C1_3 C4_3 -60.2(3) . . . . ?
O1_3 C1_3 C2_3 F2_3 -174.29(17) . . . . ?
C3_3 C1_3 C2_3 F2_3 68.1(2) . . . . ?
C4_3 C1_3 C2_3 F2_3 -52.4(2) . . . . ?
O1_3 C1_3 C2_3 F1_3 -52.1(2) . . . . ?
C3_3 C1_3 C2_3 F1_3 -169.71(15) . . . . ?
C4_3 C1_3 C2_3 F1_3 69.8(2) . . . . ?
O1_3 C1_3 C2_3 F3_3 64.9(2) . . . . ?
C3_3 C1_3 C2_3 F3_3 -52.7(2) . . . . ?
C4_3 C1_3 C2_3 F3_3 -173.18(16) . . . . ?
O1_3 C1_3 C3_3 F4_3 71.1(2) . . . . ?
C2_3 C1_3 C3_3 F4_3 -169.65(16) . . . . ?
C4_3 C1_3 C3_3 F4_3 -49.2(2) . . . . ?
O1_3 C1_3 C3_3 F6_3 -166.51(16) . . . . ?
C2_3 C1_3 C3_3 F6_3 -47.2(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 73.2(2) . . . . ?
O1_3 C1_3 C3_3 F5_3 -47.3(2) . . . . ?
C2_3 C1_3 C3_3 F5_3 72.0(2) . . . . ?
C4_3 C1_3 C3_3 F5_3 -167.55(16) . . . . ?
O1_3 C1_3 C4_3 F9_3 69.6(2) . . . . ?
C2_3 C1_3 C4_3 F9_3 -51.7(2) . . . . ?
C3_3 C1_3 C4_3 F9_3 -172.39(16) . . . . ?
O1_3 C1_3 C4_3 F7_3 -49.3(2) . . . . ?
C2_3 C1_3 C4_3 F7_3 -170.64(16) . . . . ?
C3_3 C1_3 C4_3 F7_3 68.7(2) . . . . ?
O1_3 C1_3 C4_3 F8_3 -168.41(17) . . . . ?
C2_3 C1_3 C4_3 F8_3 70.3(2) . . . . ?
C3_3 C1_3 C4_3 F8_3 -50.4(2) . . . . ?
Al1 O1_2 C1_2 C4_2 71.4(2) . . . . ?
Ag1 O1_2 C1_2 C4_2 -84.00(16) . . . . ?
Al1 O1_2 C1_2 C2_2 -169.34(16) . . . . ?
Ag1 O1_2 C1_2 C2_2 35.24(19) . . . . ?
Al1 O1_2 C1_2 C3_2 -49.9(3) . . . . ?
Ag1 O1_2 C1_2 C3_2 154.70(12) . . . . ?
O1_2 C1_2 C2_2 F3_2 74.5(2) . . . . ?
C4_2 C1_2 C2_2 F3_2 -167.44(16) . . . . ?
C3_2 C1_2 C2_2 F3_2 -46.4(2) . . . . ?
O1_2 C1_2 C2_2 F2_2 -163.04(17) . . . . ?
C4_2 C1_2 C2_2 F2_2 -45.0(2) . . . . ?
C3_2 C1_2 C2_2 F2_2 76.0(2) . . . . ?
O1_2 C1_2 C2_2 F1_2 -43.9(2) . . . . ?
C4_2 C1_2 C2_2 F1_2 74.1(2) . . . . ?
C3_2 C1_2 C2_2 F1_2 -164.89(17) . . . . ?
F3_2 C2_2 F1_2 Ag1 -84.03(17) . . . . ?
F2_2 C2_2 F1_2 Ag1 158.90(12) . . . . ?
C1_2 C2_2 F1_2 Ag1 36.6(2) . . . . ?
O1_2 C1_2 C3_2 F5_2 -38.0(2) . . . . ?
C4_2 C1_2 C3_2 F5_2 -158.33(16) . . . . ?
C2_2 C1_2 C3_2 F5_2 80.5(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 81.4(2) . . . . ?
C4_2 C1_2 C3_2 F4_2 -39.0(2) . . . . ?
C2_2 C1_2 C3_2 F4_2 -160.17(16) . . . . ?
O1_2 C1_2 C3_2 F6_2 -158.65(16) . . . . ?
C4_2 C1_2 C3_2 F6_2 81.0(2) . . . . ?
C2_2 C1_2 C3_2 F6_2 -40.2(2) . . . . ?
O1_2 C1_2 C4_2 F8_2 -169.07(16) . . . . ?
C2_2 C1_2 C4_2 F8_2 73.5(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -46.9(2) . . . . ?
O1_2 C1_2 C4_2 F7_2 -47.7(2) . . . . ?
C2_2 C1_2 C4_2 F7_2 -165.06(16) . . . . ?
C3_2 C1_2 C4_2 F7_2 74.48(19) . . . . ?
O1_2 C1_2 C4_2 F9_2 69.5(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -47.9(2) . . . . ?
C3_2 C1_2 C4_2 F9_2 -168.37(16) . . . . ?
Al1 O1_1 C1_1 C3_1 -51.4(4) . . . . ?
Al1 O1_1 C1_1 C4_1 69.2(4) . . . . ?
Al1 O1_1 C1_1 C2_1 -171.2(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 41.9(2) . . . . ?
C3_1 C1_1 C2_1 F3_1 -78.4(2) . . . . ?
C4_1 C1_1 C2_1 F3_1 161.22(16) . . . . ?
O1_1 C1_1 C2_1 F1_1 -78.0(2) . . . . ?
C3_1 C1_1 C2_1 F1_1 161.70(17) . . . . ?
C4_1 C1_1 C2_1 F1_1 41.3(2) . . . . ?
O1_1 C1_1 C2_1 F2_1 161.92(17) . . . . ?
C3_1 C1_1 C2_1 F2_1 41.6(2) . . . . ?
C4_1 C1_1 C2_1 F2_1 -78.7(2) . . . . ?
O1_1 C1_1 C3_1 F5_1 -75.8(2) . . . . ?
C4_1 C1_1 C3_1 F5_1 163.90(16) . . . . ?
C2_1 C1_1 C3_1 F5_1 43.5(2) . . . . ?
O1_1 C1_1 C3_1 F6_1 162.79(16) . . . . ?
C4_1 C1_1 C3_1 F6_1 42.5(2) . . . . ?
C2_1 C1_1 C3_1 F6_1 -77.8(2) . . . . ?
O1_1 C1_1 C3_1 F4_1 42.5(2) . . . . ?
C4_1 C1_1 C3_1 F4_1 -77.8(2) . . . . ?
C2_1 C1_1 C3_1 F4_1 161.84(17) . . . . ?
O1_1 C1_1 C4_1 F9_1 46.2(2) . . . . ?
C3_1 C1_1 C4_1 F9_1 167.01(16) . . . . ?
C2_1 C1_1 C4_1 F9_1 -72.80(19) . . . . ?
O1_1 C1_1 C4_1 F8_1 167.01(16) . . . . ?
C3_1 C1_1 C4_1 F8_1 -72.2(2) . . . . ?
C2_1 C1_1 C4_1 F8_1 48.0(2) . . . . ?
O1_1 C1_1 C4_1 F7_1 -72.46(19) . . . . ?
C3_1 C1_1 C4_1 F7_1 48.4(2) . . . . ?
C2_1 C1_1 C4_1 F7_1 168.57(16) . . . . ?
C1_1 O1_1 Al1 O1_3 83.0(3) . . . . ?
C1_1 O1_1 Al1 O1_2 -151.2(3) . . . . ?
C1_1 O1_1 Al1 F1 -34.6(3) . . . . ?
C1_1 O1_1 Al1 Ag1 -165.9(2) . . . . ?
C1_3 O1_3 Al1 O1_1 49.0(2) . . . . ?
C1_3 O1_3 Al1 O1_2 -83.0(2) . . . . ?
C1_3 O1_3 Al1 F1 173.3(2) . . . . ?
C1_3 O1_3 Al1 Ag1 -119.5(2) . . . . ?
C1_2 O1_2 Al1 O1_1 23.5(2) . . . . ?
Ag1 O1_2 Al1 O1_1 -176.66(6) . . . . ?
C1_2 O1_2 Al1 O1_3 160.16(19) . . . . ?
Ag1 O1_2 Al1 O1_3 -40.01(6) . . . . ?
C1_2 O1_2 Al1 F1 -99.1(2) . . . . ?
Ag1 O1_2 Al1 F1 60.77(6) . . . . ?
C1_2 O1_2 Al1 Ag1 -159.8(2) . . . . ?
O1_1 Al1 F1 Al2 -163.8(2) . . . . ?
O1_3 Al1 F1 Al2 64.2(3) . . . . ?
O1_2 Al1 F1 Al2 -38.9(3) . . . . ?
Ag1 Al1 F1 Al2 7.9(2) . . . . ?
C1_5 O1_5 Al2 O1_6 121.7(4) . . . . ?
C1_5 O1_5 Al2 O1_4 -98.8(4) . . . . ?
C1_5 O1_5 Al2 F1 5.9(5) . . . . ?
C1_6 O1_6 Al2 O1_5 14.5(3) . . . . ?
C1_6 O1_6 Al2 O1_4 -123.3(3) . . . . ?
C1_6 O1_6 Al2 F1 133.1(3) . . . . ?
C1_4 O1_4 Al2 O1_5 -66.56(18) . . . . ?
Ag1 O1_4 Al2 O1_5 116.61(8) . . . . ?
C1_4 O1_4 Al2 O1_6 74.23(18) . . . . ?
Ag1 O1_4 Al2 O1_6 -102.60(8) . . . . ?
C1_4 O1_4 Al2 F1 -178.55(16) . . . . ?
Ag1 O1_4 Al2 F1 4.63(7) . . . . ?
Al1 F1 Al2 O1_5 -126.0(3) . . . . ?
Al1 F1 Al2 O1_6 107.7(3) . . . . ?
Al1 F1 Al2 O1_4 -10.8(3) . . . . ?

_refine_diff_density_max         0.902
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.074

####################################################################### 
# 
# 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_CsTOL_PF_Test2
_database_code_depnum_ccdc_archive 'CCDC 1960207'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw, Centre of New Technologies
Poland
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
_vrf_PLAT973_CsTOL_PF_Test2      
;
PROBLEM: Check Calcd Positive Resid. Density on      Cs6A       3.59 eA-3  
RESPONSE: These problems are the result of significant disorder of
OC(CF3)3 groups which was very hard to resolve fully. Its consequence is
excessive electron density on other atoms, particularly heavy Cs.
;
_vrf_PLAT780_CsTOL_PF_Test2      
;
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do !  
RESPONSE: The set is correctly connected.
;
_vrf_PLAT971_CsTOL_PF_Test2      
;
PROBLEM: Check Calcd Resid. Dens.  0.24A   From Cs4B            3.33 eA-3  
RESPONSE: The explanation is similar to that for PLAT973 alert.
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H8 Al Cs F36 O4'
_chemical_formula_weight         1192.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.7457 7.9052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   21.7362(2)
_cell_length_b                   31.2247(2)
_cell_length_c                   33.0960(3)
_cell_angle_alpha                90
_cell_angle_beta                 107.8910(10)
_cell_angle_gamma                90
_cell_volume                     21376.2(3)
_cell_formula_units_Z            24
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    91564
_cell_measurement_theta_min      2.5310
_cell_measurement_theta_max      75.4830

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.223
_exptl_crystal_F_000             13680
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.780
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    10.491
_shelx_estimated_absorpt_T_min   0.045
_shelx_estimated_absorpt_T_max   0.254
_exptl_absorpt_correction_T_min  0.039
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.55a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            208773
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0976
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.165
_diffrn_reflns_theta_max         76.378
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             43783
_reflns_number_gt                39200
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.0988P)²+22.5512P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         43783
_refine_ls_number_parameters     5283
_refine_ls_number_restraints     122051
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0562
_refine_ls_wR_factor_ref         0.1541
_refine_ls_wR_factor_gt          0.1468
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      0.656
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
Cs6 Cs 0.53403(2) 0.53145(2) 0.10648(2) 0.02622(10) Uani 0.9742(16) 1 d . U P A
1
Cs4 Cs 0.48905(9) 0.68241(3) 0.38449(5) 0.02092(17) Uani 0.7228(16) 1 d . U P B
1
Cs2 Cs 0.99547(15) 0.36102(9) 0.38284(7) 0.0226(3) Uani 0.753(18) 1 d . U P C 1
Cs3 Cs 0.5057(2) -0.03178(7) 0.61177(5) 0.0223(3) Uani 0.721(19) 1 d . U P D 1
Cs1 Cs 0.4899(2) 0.37138(14) 0.38637(15) 0.0211(3) Uani 0.520(7) 1 d . U P E 1
Cs6A Cs 0.5106(9) 0.5288(3) 0.1137(4) 0.02622(10) Uani 0.0258(16) 1 d . U P A 2
Cs4A Cs 0.4741(6) 0.6946(4) 0.3872(3) 0.02092(17) Uani 0.036(2) 1 d . U P B 2
Cs2A Cs 0.9879(3) 0.36552(17) 0.38589(16) 0.0226(3) Uani 0.247(18) 1 d . U P C
2
Cs3A Cs 0.5173(3) -0.03296(17) 0.61194(16) 0.0223(3) Uani 0.279(19) 1 d . U P D
2
Cs1A Cs 0.4869(3) 0.36445(14) 0.38991(16) 0.0211(3) Uani 0.480(7) 1 d . U P E 2
Cs4B Cs 0.4914(3) 0.69026(13) 0.38380(17) 0.02092(17) Uani 0.2409(5) 1 d . U P
B 3
O2 O 0.62943(12) 0.09523(9) 0.56486(8) 0.0227(5) Uani 1 1 d . . . . .
O3 O 0.28856(13) 0.57113(10) 0.34478(8) 0.0270(6) Uani 1 1 d . . . . .
O4 O 0.70940(13) 0.33658(8) 0.11895(8) 0.0249(5) Uani 1 1 d . . . . .
Cs05 Cs 0.98641(2) 0.69739(2) 0.38706(2) 0.02852(7) Uani 1 1 d . . . . .
O5 O 0.63229(13) 0.39285(9) 0.06000(8) 0.0269(6) Uani 1 1 d . . . . .
O6 O 0.68953(14) 0.41861(9) 0.14544(8) 0.0268(6) Uani 1 1 d . . . . .
Al07 Al 0.69961(5) 0.10960(3) 0.60413(3) 0.01498(19) Uani 1 1 d . . . . .
Al08 Al 0.79602(5) 0.55681(3) 0.39407(3) 0.01449(19) Uani 1 1 d . . . . .
Al09 Al 0.29736(5) 0.22623(3) 0.39828(3) 0.01588(19) Uani 1 1 d . . . . .
Al0A Al 0.29070(5) 0.55630(3) 0.39553(3) 0.01586(19) Uani 1 1 d . . . . .
Al0B Al 0.70055(5) 0.38946(3) 0.10376(3) 0.01500(19) Uani 1 1 d . . . . .
Al0C Al 0.79272(5) 0.22960(3) 0.39722(3) 0.01605(19) Uani 1 1 d . . . . .
F00D F 0.50260(11) 0.09898(8) 0.53917(7) 0.0300(5) Uani 1 1 d . . . . .
F00E F 0.58499(12) 0.10075(8) 0.45192(7) 0.0327(5) Uani 1 1 d . . . . .
F00F F 0.59707(12) 0.01907(8) 0.48098(7) 0.0322(5) Uani 1 1 d . . . . .
F00G F 0.52829(12) 0.03227(8) 0.54284(8) 0.0319(5) Uani 1 1 d . . . . .
F00I F 0.29919(13) 0.10130(9) 0.33185(8) 0.0366(6) Uani 1 1 d . . . . .
F00J F 0.68184(12) 0.34637(8) 0.20272(8) 0.0317(5) Uani 1 1 d . . . . .
F00L F 0.69868(13) 0.26274(8) 0.16955(8) 0.0342(5) Uani 1 1 d . . . . .
F00M F 0.79121(13) 0.29058(9) 0.17569(8) 0.0373(6) Uani 1 1 d . . . . .
F00N F 0.49205(11) 0.06297(8) 0.48190(7) 0.0300(5) Uani 1 1 d . . . . .
F00O F 0.65169(13) 0.01419(8) 0.54724(8) 0.0337(5) Uani 1 1 d . . . . .
F00P F 0.72461(15) 0.21335(9) 0.53966(8) 0.0412(6) Uani 1 1 d . . . . .
F00Q F 0.60079(12) 0.29190(10) 0.10227(9) 0.0395(6) Uani 1 1 d . . . . .
F00R F 0.79428(13) 0.20224(10) 0.66907(8) 0.0402(6) Uani 1 1 d . . . . .
F00S F 0.25141(16) 0.08964(9) 0.44295(9) 0.0432(7) Uani 1 1 d . . . . .
F00U F 0.74191(13) 0.31975(9) 0.04821(8) 0.0371(6) Uani 1 1 d . . . . .
F00V F 0.21080(14) 0.13365(10) 0.32948(9) 0.0432(7) Uani 1 1 d . . . . .
F00W F 0.55365(12) 0.14599(8) 0.49065(8) 0.0335(5) Uani 1 1 d . . . . .
F00X F 0.60133(12) 0.18122(9) 0.60656(9) 0.0388(6) Uani 1 1 d . . . . .
F00Y F 0.68838(11) 0.05205(8) 0.50542(8) 0.0312(5) Uani 1 1 d . . . . .
F00Z F 0.50763(12) 0.37699(9) 0.03458(9) 0.0382(6) Uani 1 1 d . . . . .
F010 F 0.26947(14) 0.15622(9) 0.45796(8) 0.0366(6) Uani 1 1 d . . . . .
F013 F 0.74988(16) 0.25194(9) 0.05970(9) 0.0449(7) Uani 1 1 d . . . . .
F014 F 0.51771(13) 0.44289(9) 0.05237(8) 0.0396(6) Uani 1 1 d . . . . .
F015 F 0.76468(15) 0.23113(9) 0.14246(9) 0.0425(7) Uani 1 1 d . . . . .
F017 F 0.40293(12) 0.12101(9) 0.39984(9) 0.0395(6) Uani 1 1 d . . . . .
F019 F 0.66627(13) 0.49477(8) 0.16955(8) 0.0362(6) Uani 1 1 d . . . . .
F01A F 0.75458(16) 0.41603(9) 0.43543(9) 0.0464(7) Uani 1 1 d . . . . .
F01C F 0.65555(12) 0.13617(8) 0.50091(8) 0.0342(5) Uani 1 1 d . . . . .
F01D F 0.79430(14) 0.43787(10) 0.32261(8) 0.0422(6) Uani 1 1 d . . . . .
F01E F 0.70009(13) 0.20268(9) 0.67666(8) 0.0400(6) Uani 1 1 d . . . . .
F01G F 0.90179(13) 0.44976(10) 0.39044(9) 0.0439(7) Uani 1 1 d . . . . .
F01H F 0.81378(14) 0.18271(8) 0.29269(9) 0.0414(6) Uani 1 1 d . . . . .
F01I F 0.62441(14) 0.29044(10) 0.04388(8) 0.0417(6) Uani 1 1 d . . . . .
F01J F 0.70963(14) 0.47122(10) 0.32589(9) 0.0442(7) Uani 1 1 d . . . . .
F01K F 0.39931(12) 0.52898(8) 0.35503(8) 0.0339(5) Uani 1 1 d . . . . .
F01M F 0.77568(14) 0.48140(9) 0.45542(8) 0.0406(6) Uani 1 1 d . . . . .
F01O F 0.69127(13) 0.46677(9) 0.40318(9) 0.0392(6) Uani 1 1 d . . . . .
F01Q F 0.72646(15) 0.40692(10) 0.34871(9) 0.0458(7) Uani 1 1 d . . . . .
F01R F 0.79849(13) 0.23571(9) 0.59449(9) 0.0439(6) Uani 1 1 d . . . . .
F01U F 0.70020(15) 0.39358(9) 0.25220(8) 0.0433(7) Uani 1 1 d . . . . .
F01V F 0.23181(15) 0.07173(9) 0.35875(9) 0.0440(7) Uani 1 1 d . . . . .
F01W F 0.81821(13) 0.29534(10) 0.10058(9) 0.0428(7) Uani 1 1 d . . . . .
F01X F 0.90686(12) 0.20478(9) 0.36524(9) 0.0398(6) Uani 1 1 d . . . . .
F01Z F 0.60623(13) 0.21163(10) 0.54954(9) 0.0430(6) Uani 1 1 d . . . . .
F021 F 0.42875(12) 0.59426(9) 0.36501(9) 0.0392(6) Uani 1 1 d . . . . .
F022 F 0.58015(13) 0.37774(9) 0.14033(8) 0.0391(6) Uani 1 1 d . . . . .
F023 F 0.61508(14) 0.24949(9) 0.60561(10) 0.0454(7) Uani 1 1 d . . . . .
F025 F 0.18869(13) 0.13788(10) 0.40526(10) 0.0432(7) Uani 1 1 d . . . . .
F027 F 0.38084(14) 0.11939(10) 0.45856(8) 0.0421(6) Uani 1 1 d . . . . .
F029 F 0.56137(12) 0.44437(9) 0.14876(9) 0.0433(7) Uani 1 1 d . . . . .
F02B F 0.15082(14) 0.60918(12) 0.31877(9) 0.0510(8) Uani 1 1 d . . . . .
F02E F 0.74670(15) 0.46962(9) 0.21922(9) 0.0453(7) Uani 1 1 d . . . . .
F02F F 0.57555(13) 0.40044(10) 0.20069(9) 0.0422(6) Uani 1 1 d . . . . .
F02H F 0.42341(13) 0.56355(10) 0.30572(9) 0.0401(6) Uani 1 1 d . . . . .
F02J F 0.48567(11) 0.42570(9) -0.01400(8) 0.0380(6) Uani 1 1 d . . . . .
F02M F 0.57672(14) 0.48487(10) -0.00423(10) 0.0488(7) Uani 1 1 d . . . . .
F02O F 0.93203(13) 0.23184(10) 0.31283(9) 0.0423(6) Uani 1 1 d . . . . .
F02P F 0.30620(14) 0.51482(10) 0.28018(9) 0.0444(7) Uani 1 1 d . . . . .
F02R F 0.93565(13) 0.27026(10) 0.36741(9) 0.0451(7) Uani 1 1 d . . . . .
F02S F 0.15163(14) 0.56695(11) 0.45664(9) 0.0470(7) Uani 1 1 d . . . . .
F02X F 0.35432(15) 0.06642(8) 0.41476(9) 0.0433(6) Uani 1 1 d . . . . .
F037 F 0.73844(17) 0.26028(9) 0.65761(9) 0.0519(8) Uani 1 1 d . . . . .
F039 F 0.58290(16) 0.41300(12) -0.05037(8) 0.0551(9) Uani 1 1 d . . . . .
F03C F 0.83937(16) 0.32678(9) 0.33979(11) 0.0509(8) Uani 1 1 d . . . . .
F03E F 0.81870(17) 0.23314(11) 0.24942(8) 0.0511(8) Uani 1 1 d . . . . .
F03F F 0.76776(13) 0.38416(9) 0.21702(10) 0.0470(7) Uani 1 1 d . . . . .
O03H O 0.71896(12) 0.16261(9) 0.60086(8) 0.0236(5) Uani 1 1 d . . . . .
O03I O 0.76213(12) 0.07859(9) 0.59848(8) 0.0238(5) Uani 1 1 d . . . . .
F03M F 0.31046(16) 0.57165(12) 0.24378(8) 0.0528(8) Uani 1 1 d . . . . .
F03N F 0.33217(16) 0.65109(9) 0.34629(12) 0.0528(8) Uani 1 1 d . . . . .
F03R F 0.65249(18) 0.47267(9) 0.22780(9) 0.0501(8) Uani 1 1 d . . . . .
F03S F 0.22953(14) 0.64845(9) 0.38810(11) 0.0462(7) Uani 1 1 d . . . . .
F03T F 0.66238(16) 0.37737(12) -0.01023(10) 0.0549(9) Uani 1 1 d . . . . .
F03V F 0.07189(14) 0.60371(11) 0.41683(10) 0.0507(8) Uani 1 1 d . . . . .
F03Y F 0.64163(15) 0.23476(9) 0.08464(10) 0.0462(7) Uani 1 1 d . . . . .
F040 F 0.88334(15) 0.44210(11) 0.44963(9) 0.0528(8) Uani 1 1 d . . . . .
O041 O 0.79629(14) 0.24914(10) 0.34938(9) 0.0313(6) Uani 1 1 d . . . . .
O044 O 0.21499(13) 0.56517(9) 0.40048(9) 0.0263(6) Uani 1 1 d . . . . .
F04B F 0.71004(16) 0.27111(8) 0.57087(10) 0.0505(7) Uani 1 1 d . . . . .
F04D F 0.19538(16) 0.64439(10) 0.44238(10) 0.0506(8) Uani 1 1 d . . . . .
O04F O 0.30433(14) 0.17279(9) 0.38811(9) 0.0271(6) Uani 1 1 d . . . . .
F04I F 0.76869(16) 0.30979(10) 0.28130(10) 0.0504(7) Uani 1 1 d . . . . .
F04N F 0.08666(15) 0.53816(11) 0.40053(12) 0.0546(8) Uani 1 1 d . . . . .
F04O F 0.63334(16) 0.47824(9) 0.06157(10) 0.0515(8) Uani 1 1 d . . . . .
F04S F 0.80703(16) 0.11919(13) 0.54369(10) 0.0602(9) Uani 1 1 d . . . . .
F04X F 0.73525(14) 0.22709(10) 0.27012(10) 0.0484(7) Uani 1 1 d . . . . .
O04Y O 0.80849(14) 0.50332(9) 0.38627(10) 0.0299(6) Uani 1 1 d . . . . .
F050 F 0.12307(17) 0.54549(13) 0.32933(10) 0.0598(9) Uani 1 1 d . . . . .
F052 F 0.22735(14) 0.55929(11) 0.26396(9) 0.0494(8) Uani 1 1 d . . . . .
F058 F 0.84964(16) 0.39466(9) 0.40021(10) 0.0500(7) Uani 1 1 d . . . . .
F05A F 0.26053(17) 0.64135(11) 0.28569(11) 0.0576(9) Uani 1 1 d . . . . .
F05E F 0.06214(13) 0.59902(14) 0.33281(10) 0.0606(10) Uani 1 1 d . . . . .
F05F F 0.92765(13) 0.08611(14) 0.65989(10) 0.0650(11) Uani 1 1 d . . . . .
F05K F 0.56536(17) 0.35354(10) -0.02175(9) 0.0538(8) Uani 1 1 d . . . . .
F05Q F 0.13073(17) 0.66440(10) 0.38231(11) 0.0561(8) Uani 1 1 d . . . . .
F05U F 0.67461(14) 0.46148(12) 0.01224(11) 0.0597(10) Uani 1 1 d . . . . .
F05Y F 0.84099(15) 0.11071(15) 0.67060(10) 0.0724(12) Uani 1 1 d . . . . .
F061 F 0.90661(14) 0.10264(12) 0.57487(12) 0.0583(9) Uani 1 1 d . . . . .
F062 F 0.90351(15) 0.02122(11) 0.60193(13) 0.0607(9) Uani 1 1 d . . . . .
F067 F 0.86983(19) 0.30873(10) 0.28656(13) 0.0625(9) Uani 1 1 d . . . . .
F06A F 0.85753(15) 0.14882(10) 0.60235(15) 0.0686(11) Uani 1 1 d . . . . .
F06E F 0.85866(19) 0.04392(18) 0.67303(13) 0.0879(15) Uani 1 1 d . . . . .
F06I F 0.3624(2) 0.64248(10) 0.29123(14) 0.0666(11) Uani 1 1 d . . . . .
F06J F 0.82360(17) 0.03291(14) 0.54559(13) 0.0793(14) Uani 1 1 d . . . . .
C06P C 0.52983(18) 0.06908(13) 0.52198(11) 0.0242(7) Uani 1 1 d . . . . .
C06U C 0.60038(16) 0.08121(12) 0.52515(11) 0.0190(7) Uani 1 1 d . . . . .
C06V C 0.52630(19) 0.41417(14) 0.02401(13) 0.0280(8) Uani 1 1 d . . . . .
F06X F 0.80822(18) 0.00151(10) 0.59939(19) 0.0910(17) Uani 1 1 d . . . . .
C074 C 0.7343(2) 0.23141(13) 0.57700(13) 0.0321(9) Uani 1 1 d . . . . .
C075 C 0.63514(18) 0.04091(13) 0.51470(12) 0.0243(7) Uani 1 1 d . . . . .
C076 C 0.7422(2) 0.26965(14) 0.14928(13) 0.0290(8) Uani 1 1 d . . . . .
C078 C 0.7562(2) 0.28995(14) 0.07827(13) 0.0299(8) Uani 1 1 d . . . . .
C079 C 0.59788(17) 0.41367(12) 0.02485(11) 0.0215(7) Uani 1 1 d . . . . .
C07A C 0.7557(2) 0.44409(15) 0.34634(13) 0.0307(9) Uani 1 1 d . . . . .
C07C C 0.7529(2) 0.45585(14) 0.42180(13) 0.0297(8) Uani 1 1 d . . . . .
C07E C 0.2497(2) 0.12816(14) 0.42616(13) 0.0294(8) Uani 1 1 d . . . . .
C07G C 0.16183(18) 0.58996(14) 0.39030(12) 0.0258(8) Uani 1 1 d . . . . .
C07H C 0.29277(18) 0.13184(12) 0.39627(12) 0.0219(7) Uani 1 1 d . . . . .
C07I C 0.6308(2) 0.21162(14) 0.59145(14) 0.0314(9) Uani 1 1 d . . . . .
C07M C 0.59852(19) 0.11670(12) 0.49152(12) 0.0248(7) Uani 1 1 d . . . . .
C07Q C 0.3582(2) 0.10907(13) 0.41767(13) 0.0289(8) Uani 1 1 d . . . . .
C07R C 0.79377(18) 0.46212(12) 0.39083(12) 0.0215(7) Uani 1 1 d . . . . .
C07T C 0.2581(2) 0.10905(14) 0.35331(13) 0.0279(8) Uani 1 1 d . . . . .
C07W C 0.71232(18) 0.29522(12) 0.10746(12) 0.0219(7) Uani 1 1 d . . . . .
C07Y C 0.66950(18) 0.41917(12) 0.18003(11) 0.0201(7) Uani 1 1 d . . . . .
C081 C 0.7352(2) 0.21797(14) 0.65290(13) 0.0306(9) Uani 1 1 d . . . . .
C083 C 0.32204(18) 0.58077(12) 0.31807(11) 0.0227(7) Uani 1 1 d . . . . .
C084 C 0.6442(2) 0.27760(14) 0.08423(14) 0.0316(9) Uani 1 1 d . . . . .
C085 C 0.82986(18) 0.25286(12) 0.32171(11) 0.0206(7) Uani 1 1 d . . . . .
C086 C 0.70553(18) 0.20415(12) 0.60553(12) 0.0217(7) Uani 1 1 d . . . . .
C087 C 0.5953(2) 0.40971(14) 0.16784(13) 0.0290(8) Uani 1 1 d . . . . .
C08C C 0.9023(2) 0.23961(14) 0.34151(13) 0.0297(8) Uani 1 1 d . . . . .
C08L C 0.1240(2) 0.58552(19) 0.34234(15) 0.0417(11) Uani 1 1 d . . . . .
C08M C 0.7058(2) 0.38544(14) 0.21370(12) 0.0277(8) Uani 1 1 d . . . . .
C08V C 0.39456(19) 0.56644(14) 0.33574(13) 0.0281(8) Uani 1 1 d . . . . .
C08X C 0.6209(2) 0.46062(15) 0.02301(15) 0.0375(10) Uani 1 1 d . . . . .
C090 C 0.8576(2) 0.43664(14) 0.40832(14) 0.0333(9) Uani 1 1 d . . . . .
C096 C 0.6839(2) 0.46484(14) 0.19986(13) 0.0309(9) Uani 1 1 d . . . . .
C098 C 0.8646(2) 0.0798(2) 0.65247(16) 0.0517(14) Uani 1 1 d . . . . .
C099 C 0.6018(2) 0.38868(16) -0.01503(13) 0.0376(10) Uani 1 1 d . . . . .
C09E C 0.82647(18) 0.07594(14) 0.60483(13) 0.0267(8) Uani 1 1 d . . . . .
C09H C 0.2906(2) 0.55645(16) 0.27580(14) 0.0367(10) Uani 1 1 d . . . . .
C09M C 0.8498(2) 0.11181(17) 0.58049(17) 0.0435(11) Uani 1 1 d . . . . .
C09O C 0.7984(2) 0.22373(14) 0.28286(14) 0.0340(9) Uani 1 1 d . . . . .
C09W C 0.1178(2) 0.57433(17) 0.41679(15) 0.0376(10) Uani 1 1 d . . . . .
C0A0 C 0.8268(2) 0.30023(14) 0.30673(15) 0.0355(10) Uani 1 1 d . . . . .
C0A1 C 0.1795(2) 0.63767(15) 0.40097(16) 0.0373(10) Uani 1 1 d . . . . .
C0AD C 0.3184(3) 0.62942(16) 0.30972(18) 0.0413(11) Uani 1 1 d . . . . .
C0AL C 0.8401(2) 0.03194(17) 0.5884(2) 0.0523(15) Uani 1 1 d . . . . .
O1_1 O 0.34034(16) 0.24220(12) 0.44915(10) 0.0249(7) Uani 0.830(5) 1 d D U P E
1
C1_1 C 0.3961(2) 0.25380(15) 0.47810(14) 0.0212(7) Uani 0.830(5) 1 d D U P E 1
C2_1 C 0.3880(2) 0.29897(15) 0.49478(15) 0.0319(11) Uani 0.830(5) 1 d D U P E 1
F1_1 F 0.3586(2) 0.32516(12) 0.46339(12) 0.0472(10) Uani 0.830(5) 1 d D U P E 1
F2_1 F 0.44448(19) 0.31714(10) 0.51664(11) 0.0428(9) Uani 0.830(5) 1 d D U P E
1
F3_1 F 0.35196(19) 0.29724(11) 0.52127(11) 0.0464(9) Uani 0.830(5) 1 d D U P E
1
C3_1 C 0.4129(2) 0.22154(16) 0.51598(15) 0.0251(11) Uani 0.830(5) 1 d D U P E 1
F4_1 F 0.4400(2) 0.18604(13) 0.50708(14) 0.0370(10) Uani 0.830(5) 1 d D U P E 1
F5_1 F 0.3601(2) 0.21068(18) 0.52580(16) 0.0383(11) Uani 0.830(5) 1 d D U P E 1
F6_1 F 0.45505(18) 0.23837(11) 0.55156(10) 0.0342(8) Uani 0.830(5) 1 d D U P E
1
C4_1 C 0.4529(2) 0.25431(17) 0.45913(14) 0.0306(11) Uani 0.830(5) 1 d D U P E 1
F7_1 F 0.45171(15) 0.22025(12) 0.43516(10) 0.0419(9) Uani 0.830(5) 1 d D U P E
1
F8_1 F 0.51101(14) 0.25596(13) 0.48874(10) 0.0420(9) Uani 0.830(5) 1 d D U P E
1
F9_1 F 0.4486(2) 0.28907(14) 0.43422(12) 0.0429(10) Uani 0.830(5) 1 d D U P E 1
O1_2 O 0.8079(2) 0.17684(13) 0.40430(19) 0.0262(10) Uani 0.732(10) 1 d D U P F
1
C1_2 C 0.7864(3) 0.13623(18) 0.40487(19) 0.0229(9) Uani 0.732(10) 1 d D U P F 1
C2_2 C 0.8459(3) 0.1087(2) 0.4290(2) 0.0273(14) Uani 0.732(10) 1 d D U P F 1
F1_2 F 0.8968(4) 0.1180(3) 0.4161(3) 0.0296(13) Uani 0.732(10) 1 d D U P F 1
F2_2 F 0.8353(4) 0.0666(2) 0.4228(3) 0.0409(16) Uani 0.732(10) 1 d D U P F 1
F3_2 F 0.8632(4) 0.1158(2) 0.47049(18) 0.0398(14) Uani 0.732(10) 1 d D U P F 1
C3_2 C 0.7352(3) 0.1343(2) 0.4290(2) 0.0286(14) Uani 0.732(10) 1 d D U P F 1
F4_2 F 0.6771(2) 0.14766(17) 0.40466(16) 0.0326(10) Uani 0.732(10) 1 d D U P F
1
F5_2 F 0.7530(4) 0.1598(3) 0.4630(2) 0.0396(16) Uani 0.732(10) 1 d D U P F 1
F6_2 F 0.7278(5) 0.0947(3) 0.4423(4) 0.0422(19) Uani 0.732(10) 1 d D U P F 1
C4_2 C 0.7562(3) 0.1188(2) 0.35932(19) 0.0291(13) Uani 0.732(10) 1 d D U P F 1
F7_2 F 0.7180(2) 0.14803(19) 0.33507(13) 0.0388(11) Uani 0.732(10) 1 d D U P F
1
F8_2 F 0.7213(3) 0.08318(17) 0.35822(19) 0.0418(12) Uani 0.732(10) 1 d D U P F
1
F9_2 F 0.8018(4) 0.1094(3) 0.3413(3) 0.0436(19) Uani 0.732(10) 1 d D U P F 1
O1_3 O 0.85384(16) 0.25763(13) 0.43430(10) 0.0241(7) Uani 0.772(4) 1 d D U P C
2
C1_3 C 0.8906(2) 0.26435(16) 0.47471(16) 0.0226(9) Uani 0.772(4) 1 d D U P C 2
C2_3 C 0.9029(3) 0.31349(17) 0.48036(17) 0.0299(11) Uani 0.772(4) 1 d D U P C 2
F1_3 F 0.9210(2) 0.32874(14) 0.44782(13) 0.0372(10) Uani 0.772(4) 1 d D U P C 2
F2_3 F 0.95065(19) 0.32297(12) 0.51571(10) 0.0394(9) Uani 0.772(4) 1 d D U P C
2
F3_3 F 0.85032(17) 0.33416(11) 0.48129(12) 0.0417(9) Uani 0.772(4) 1 d D U P C
2
C3_3 C 0.8572(3) 0.2496(2) 0.50743(19) 0.0336(14) Uani 0.772(4) 1 d D U P C 2
F4_3 F 0.8613(3) 0.20699(16) 0.5132(2) 0.0480(16) Uani 0.772(4) 1 d D U P C 2
F5_3 F 0.7950(2) 0.26103(17) 0.49489(15) 0.0388(11) Uani 0.772(4) 1 d D U P C 2
F6_3 F 0.8837(3) 0.26729(18) 0.54638(14) 0.0355(11) Uani 0.772(4) 1 d D U P C 2
C4_3 C 0.9562(3) 0.2408(2) 0.48339(19) 0.0368(14) Uani 0.772(4) 1 d D U P C 2
F7_3 F 0.94712(19) 0.20058(12) 0.47002(14) 0.0542(11) Uani 0.772(4) 1 d D U P C
2
F8_3 F 0.98888(18) 0.23933(15) 0.52556(11) 0.0494(11) Uani 0.772(4) 1 d D U P C
2
F9_3 F 0.99433(19) 0.26033(17) 0.46455(14) 0.0492(11) Uani 0.772(4) 1 d D U P C
2
O1_4 O 0.7652(4) 0.4110(4) 0.0913(4) 0.0288(7) Uani 0.686(5) 1 d D U P G 1
C1_4 C 0.8233(3) 0.4306(2) 0.1041(2) 0.0257(15) Uani 0.686(5) 1 d D U P G 1
C2_4 C 0.8137(3) 0.4800(2) 0.1015(2) 0.0342(14) Uani 0.686(5) 1 d D U P G 1
F1_4 F 0.7955(2) 0.49419(14) 0.06196(14) 0.0498(12) Uani 0.686(5) 1 d D U P G 1
F2_4 F 0.8684(4) 0.5010(3) 0.1225(3) 0.0477(18) Uani 0.686(5) 1 d D U P G 1
F3_4 F 0.7690(2) 0.49143(15) 0.11915(18) 0.0442(11) Uani 0.686(5) 1 d D U P G 1
C3_4 C 0.8632(3) 0.4183(2) 0.1504(2) 0.0457(17) Uani 0.686(5) 1 d D U P G 1
F4_4 F 0.8553(4) 0.3763(2) 0.1567(3) 0.0608(18) Uani 0.686(5) 1 d D U P G 1
F5_4 F 0.8430(2) 0.44011(18) 0.17863(13) 0.0546(13) Uani 0.686(5) 1 d D U P G 1
F6_4 F 0.9257(4) 0.4265(4) 0.1584(4) 0.076(4) Uani 0.686(5) 1 d D U P G 1
C4_4 C 0.8613(3) 0.4173(2) 0.0732(2) 0.0391(15) Uani 0.686(5) 1 d D U P G 1
F7_4 F 0.8852(2) 0.37821(15) 0.0823(2) 0.0617(15) Uani 0.686(5) 1 d D U P G 1
F8_4 F 0.9118(3) 0.4440(3) 0.0773(3) 0.041(2) Uani 0.686(5) 1 d D U P G 1
F9_4 F 0.8241(2) 0.4183(2) 0.03352(14) 0.0555(14) Uani 0.686(5) 1 d D U P G 1
C1_5 C 0.5081(9) -0.0141(3) 0.7436(3) 0.060(4) Uani 0.522(13) 1 d D U P D 1
H1A_5 H 0.5003 -0.0225 0.7702 0.090 Uiso 0.522(13) 1 calc R U P D 1
H1B_5 H 0.4744 0.0059 0.7281 0.090 Uiso 0.522(13) 1 calc R U P D 1
H1C_5 H 0.5505 -0.0003 0.7501 0.090 Uiso 0.522(13) 1 calc R U P D 1
C2_5 C 0.5067(6) -0.0530(3) 0.7171(3) 0.031(2) Uani 0.522(13) 1 d D U P D 1
C3_5 C 0.4477(5) -0.0701(4) 0.6926(4) 0.033(3) Uani 0.522(13) 1 d D U P D 1
H3_5 H 0.4065 -0.0582 0.6955 0.039 Uiso 0.522(13) 1 calc R U P D 1
C4_5 C 0.4455(5) -0.1064(4) 0.6683(3) 0.032(2) Uani 0.522(13) 1 d D U P D 1
H4_5 H 0.4030 -0.1206 0.6543 0.038 Uiso 0.522(13) 1 calc R U P D 1
C5_5 C 0.5019(6) -0.1256(3) 0.6664(3) 0.033(2) Uani 0.522(13) 1 d D U P D 1
H5_5 H 0.5000 -0.1538 0.6517 0.040 Uiso 0.522(13) 1 calc R U P D 1
C6_5 C 0.5607(5) -0.1096(4) 0.6911(4) 0.032(2) Uani 0.522(13) 1 d D U P D 1
H6_5 H 0.6014 -0.1258 0.6934 0.038 Uiso 0.522(13) 1 calc R U P D 1
C7_5 C 0.5626(4) -0.0736(4) 0.7162(3) 0.028(2) Uani 0.522(13) 1 d D U P D 1
H7_5 H 0.6051 -0.0636 0.7356 0.033 Uiso 0.522(13) 1 calc R U P D 1
C1_6 C 0.5085(5) 0.5084(3) 0.2359(3) 0.053(2) Uani 0.755(15) 1 d D U P A 1
H1A_6 H 0.4835 0.5143 0.2554 0.080 Uiso 0.755(15) 1 calc R U P A 1
H1B_6 H 0.5531 0.5013 0.2523 0.080 Uiso 0.755(15) 1 calc R U P A 1
H1C_6 H 0.4891 0.4842 0.2175 0.080 Uiso 0.755(15) 1 calc R U P A 1
C2_6 C 0.5081(4) 0.5473(2) 0.2090(2) 0.0296(16) Uani 0.755(15) 1 d D U P A 1
C3_6 C 0.5640(3) 0.5707(3) 0.2117(3) 0.0314(17) Uani 0.755(15) 1 d D U P A 1
H3_6 H 0.6053 0.5628 0.2338 0.038 Uiso 0.755(15) 1 calc R U P A 1
C4_6 C 0.5628(4) 0.6068(3) 0.1870(3) 0.0321(17) Uani 0.755(15) 1 d D U P A 1
H4_6 H 0.6017 0.6257 0.1932 0.039 Uiso 0.755(15) 1 calc R U P A 1
C5_6 C 0.5043(5) 0.6202(2) 0.1583(2) 0.0366(17) Uani 0.755(15) 1 d D U P A 1
H5_6 H 0.5013 0.6490 0.1446 0.044 Uiso 0.755(15) 1 calc R U P A 1
C6_6 C 0.4483(4) 0.5976(3) 0.1559(2) 0.0383(17) Uani 0.755(15) 1 d D U P A 1
H6_6 H 0.4055 0.6095 0.1389 0.046 Uiso 0.755(15) 1 calc R U P A 1
C7_6 C 0.4503(3) 0.5617(3) 0.1805(3) 0.0366(17) Uani 0.755(15) 1 d D U P A 1
H7_6 H 0.4090 0.5469 0.1794 0.044 Uiso 0.755(15) 1 calc R U P A 1
C1_7 C 0.9955(5) 0.6819(2) 0.25637(19) 0.076(2) Uani 1 1 d D U . . .
H1A_7 H 0.9937 0.6917 0.2279 0.114 Uiso 1 1 calc R U . . .
H1B_7 H 0.9571 0.6645 0.2545 0.114 Uiso 1 1 calc R U . . .
H1C_7 H 1.0345 0.6646 0.2683 0.114 Uiso 1 1 calc R U . . .
C2_7 C 0.9970(2) 0.71953(15) 0.28417(13) 0.0390(10) Uani 1 1 d D U . . .
C3_7 C 0.9395(2) 0.74016(17) 0.28429(15) 0.0432(11) Uani 1 1 d D U . . .
H3_7 H 0.8975 0.7313 0.2635 0.052 Uiso 1 1 calc R U . . .
C4_7 C 0.9418(2) 0.77567(16) 0.31003(16) 0.0453(11) Uani 1 1 d D U . . .
H4_7 H 0.9014 0.7924 0.3068 0.054 Uiso 1 1 calc R U . . .
C5_7 C 0.9994(3) 0.79118(17) 0.33560(17) 0.0471(11) Uani 1 1 d D U . . .
H5_7 H 1.0010 0.8193 0.3503 0.057 Uiso 1 1 calc R U . . .
C6_7 C 1.0557(2) 0.77118(16) 0.33557(15) 0.0428(11) Uani 1 1 d D U . . .
H6_7 H 1.0981 0.7845 0.3514 0.051 Uiso 1 1 calc R U . . .
C7_7 C 1.0549(2) 0.73649(15) 0.31053(14) 0.0375(10) Uani 1 1 d D U . . .
H7_7 H 1.0968 0.7242 0.3093 0.045 Uiso 1 1 calc R U . . .
C1_8 C 0.4683(6) 0.6694(2) 0.2470(2) 0.058(3) Uani 0.738(15) 1 d D U P B 1
H1A_8 H 0.4843 0.6755 0.2229 0.086 Uiso 0.738(15) 1 calc R U P B 1
H1B_8 H 0.4217 0.6638 0.2365 0.086 Uiso 0.738(15) 1 calc R U P B 1
H1C_8 H 0.4906 0.6441 0.2622 0.086 Uiso 0.738(15) 1 calc R U P B 1
C2_8 C 0.4810(4) 0.7070(2) 0.2764(2) 0.0316(17) Uani 0.738(15) 1 d D U P B 1
C3_8 C 0.5445(4) 0.7173(3) 0.2992(3) 0.0394(18) Uani 0.738(15) 1 d D U P B 1
H3_8 H 0.5809 0.7017 0.2931 0.047 Uiso 0.738(15) 1 calc R U P B 1
C4_8 C 0.5579(4) 0.7518(3) 0.3267(3) 0.0423(19) Uani 0.738(15) 1 d D U P B 1
H4_8 H 0.6037 0.7613 0.3394 0.051 Uiso 0.738(15) 1 calc R U P B 1
C5_8 C 0.5084(5) 0.7770(2) 0.3322(2) 0.041(2) Uani 0.738(15) 1 d D U P B 1
H5_8 H 0.5189 0.8045 0.3485 0.049 Uiso 0.738(15) 1 calc R U P B 1
C6_8 C 0.4453(4) 0.7679(2) 0.3095(3) 0.0314(17) Uani 0.738(15) 1 d D U P B 1
H6_8 H 0.4100 0.7881 0.3102 0.038 Uiso 0.738(15) 1 calc R U P B 1
C7_8 C 0.4318(3) 0.7332(3) 0.2819(3) 0.0289(16) Uani 0.738(15) 1 d D U P B 1
H7_8 H 0.3862 0.7283 0.2638 0.035 Uiso 0.738(15) 1 calc R U P B 1
C1_9 C 0.4784(4) 0.34422(17) 0.25221(16) 0.0555(15) Uani 1 1 d D U . . .
H1A_9 H 0.4725 0.3527 0.2228 0.083 Uiso 1 1 calc R U . . .
H1B_9 H 0.4406 0.3279 0.2536 0.083 Uiso 1 1 calc R U . . .
H1C_9 H 0.5172 0.3264 0.2624 0.083 Uiso 1 1 calc R U . . .
C2_9 C 0.4858(2) 0.38363(14) 0.27955(12) 0.0335(9) Uani 1 1 d D U . . .
C3_9 C 0.5467(2) 0.39935(16) 0.30253(15) 0.0396(10) Uani 1 1 d D U . . .
H3_9 H 0.5863 0.3850 0.2997 0.048 Uiso 1 1 calc R U . E 1
C4_9 C 0.5534(2) 0.43568(16) 0.32738(15) 0.0411(10) Uani 1 1 d D U . . .
H4_9 H 0.5972 0.4485 0.3403 0.049 Uiso 1 1 calc R U . E 1
C5_9 C 0.4989(2) 0.45768(15) 0.32971(15) 0.0380(10) Uani 1 1 d D U . . .
H5_9 H 0.5035 0.4867 0.3431 0.046 Uiso 1 1 calc R U . E 1
C6_9 C 0.4382(2) 0.44239(14) 0.30707(14) 0.0323(9) Uani 1 1 d D U . . .
H6_9 H 0.3992 0.4602 0.3052 0.039 Uiso 1 1 calc R U . E 1
C7_9 C 0.43173(19) 0.40592(14) 0.28230(13) 0.0297(8) Uani 1 1 d D U . . .
H7_9 H 0.3877 0.3967 0.2644 0.036 Uiso 1 1 calc R U . E 1
C1_10 C 0.9930(4) 0.34623(19) 0.24909(18) 0.0617(17) Uani 1 1 d D U . . .
H1A_10 H 1.0000 0.3557 0.2226 0.093 Uiso 1 1 calc R U . . .
H1B_10 H 0.9507 0.3323 0.2427 0.093 Uiso 1 1 calc R U . . .
H1C_10 H 1.0269 0.3258 0.2636 0.093 Uiso 1 1 calc R U . . .
C2_10 C 0.9952(2) 0.38424(14) 0.27734(13) 0.0350(9) Uani 1 1 d D U . . .
C3_10 C 1.0534(2) 0.40098(16) 0.30208(15) 0.0389(10) Uani 1 1 d D U . . .
H3_10 H 1.0946 0.3893 0.2990 0.047 Uiso 1 1 calc R U . C 1
C4_10 C 1.0558(2) 0.43661(16) 0.32753(15) 0.0406(10) Uani 1 1 d D U . . .
H4_10 H 1.0982 0.4508 0.3417 0.049 Uiso 1 1 calc R U . C 1
C5_10 C 0.9992(2) 0.45575(15) 0.32901(16) 0.0401(10) Uani 1 1 d D U . . .
H5_10 H 1.0008 0.4838 0.3438 0.048 Uiso 1 1 calc R U . C 1
C6_10 C 0.9403(2) 0.43953(15) 0.30413(15) 0.0371(10) Uani 1 1 d D U . . .
H6_10 H 0.8996 0.4555 0.3020 0.045 Uiso 1 1 calc R U . C 1
C7_10 C 0.9382(2) 0.40428(15) 0.27856(13) 0.0340(9) Uani 1 1 d D U . . .
H7_10 H 0.8958 0.3945 0.2589 0.041 Uiso 1 1 calc R U . C 1
O1_11 O 0.7652(9) 0.4093(9) 0.0907(10) 0.0288(7) Uani 0.314(5) 1 d D U P G 2
C1_11 C 0.8236(7) 0.4286(4) 0.1010(4) 0.031(3) Uani 0.314(5) 1 d D U P G 2
C2_11 C 0.8459(6) 0.4303(3) 0.0608(4) 0.040(3) Uani 0.314(5) 1 d D U P G 2
F1_11 F 0.8374(5) 0.3920(3) 0.0419(3) 0.046(2) Uani 0.314(5) 1 d D U P G 2
F2_11 F 0.9078(7) 0.4410(6) 0.0679(7) 0.039(4) Uani 0.314(5) 1 d D U P G 2
F3_11 F 0.8110(4) 0.4593(3) 0.0337(3) 0.053(3) Uani 0.314(5) 1 d D U P G 2
C3_11 C 0.8184(6) 0.4750(4) 0.1165(4) 0.050(3) Uani 0.314(5) 1 d D U P G 2
F4_11 F 0.8170(6) 0.4746(4) 0.1566(3) 0.067(3) Uani 0.314(5) 1 d D U P G 2
F5_11 F 0.7643(5) 0.4937(3) 0.0926(4) 0.058(3) Uani 0.314(5) 1 d D U P G 2
F6_11 F 0.8669(9) 0.5001(7) 0.1140(7) 0.064(5) Uani 0.314(5) 1 d D U P G 2
C4_11 C 0.8740(6) 0.4031(4) 0.1361(4) 0.047(3) Uani 0.314(5) 1 d D U P G 2
F7_11 F 0.8473(9) 0.3915(5) 0.1658(5) 0.064(4) Uani 0.314(5) 1 d D U P G 2
F8_11 F 0.9269(7) 0.4252(4) 0.1569(7) 0.043(4) Uani 0.314(5) 1 d D U P G 2
F9_11 F 0.8944(5) 0.3686(3) 0.1199(3) 0.056(3) Uani 0.314(5) 1 d D U P G 2
O1_12 O 0.8588(5) 0.2341(4) 0.4414(3) 0.0241(7) Uani 0.228(4) 1 d D U P C 1
C1_12 C 0.8904(6) 0.2559(4) 0.4766(4) 0.0226(9) Uani 0.228(4) 1 d D U P C 1
C2_12 C 0.9614(6) 0.2399(4) 0.4936(4) 0.034(3) Uani 0.228(4) 1 d D U P C 1
F1_12 F 0.9614(7) 0.2022(4) 0.5125(4) 0.057(3) Uani 0.228(4) 1 d D U P C 1
F2_12 F 0.9996(5) 0.2686(4) 0.5196(3) 0.036(3) Uani 0.228(4) 1 d D U P C 1
F3_12 F 0.9848(6) 0.2349(6) 0.4612(4) 0.047(3) Uani 0.228(4) 1 d D U P C 1
C3_12 C 0.8912(6) 0.3048(4) 0.4684(5) 0.045(4) Uani 0.228(4) 1 d D U P C 1
F4_12 F 0.8323(5) 0.3168(4) 0.4451(4) 0.052(3) Uani 0.228(4) 1 d D U P C 1
F5_12 F 0.9333(9) 0.3125(7) 0.4471(7) 0.070(5) Uani 0.228(4) 1 d D U P C 1
F6_12 F 0.9049(7) 0.3280(4) 0.5042(4) 0.060(4) Uani 0.228(4) 1 d D U P C 1
C4_12 C 0.8567(7) 0.2487(5) 0.5112(5) 0.035(4) Uani 0.228(4) 1 d D U P C 1
F7_12 F 0.8061(7) 0.2748(5) 0.5039(6) 0.048(4) Uani 0.228(4) 1 d D U P C 1
F8_12 F 0.8979(10) 0.2550(7) 0.5500(5) 0.055(5) Uani 0.228(4) 1 d D U P C 1
F9_12 F 0.8394(8) 0.2077(5) 0.5097(7) 0.038(4) Uani 0.228(4) 1 d D U P C 1
O1_13 O 0.82512(15) 0.58603(10) 0.35945(9) 0.0214(6) Uani 0.876(2) 1 d D U P H
1
C1_13 C 0.8287(2) 0.59135(13) 0.31972(13) 0.0197(7) Uani 0.876(2) 1 d D U P H 1
C2_13 C 0.8990(2) 0.58227(14) 0.31956(14) 0.0262(9) Uani 0.876(2) 1 d D U P H 1
F1_13 F 0.93870(13) 0.61375(10) 0.33927(10) 0.0363(7) Uani 0.876(2) 1 d D U P H
1
F2_13 F 0.90364(16) 0.57875(11) 0.28048(10) 0.0412(7) Uani 0.876(2) 1 d D U P H
1
F3_13 F 0.92110(18) 0.54620(13) 0.34006(12) 0.0367(8) Uani 0.876(2) 1 d D U P H
1
C3_13 C 0.7815(2) 0.56154(15) 0.28677(13) 0.0311(10) Uani 0.876(2) 1 d D U P H
1
F4_13 F 0.72501(14) 0.55910(11) 0.29461(9) 0.0421(8) Uani 0.876(2) 1 d D U P H
1
F5_13 F 0.80581(18) 0.52166(10) 0.28973(10) 0.0398(7) Uani 0.876(2) 1 d D U P H
1
F6_13 F 0.77029(17) 0.57469(12) 0.24690(9) 0.0472(9) Uani 0.876(2) 1 d D U P H
1
C4_13 C 0.8120(2) 0.63888(14) 0.30644(15) 0.0284(10) Uani 0.876(2) 1 d D U P H
1
F7_13 F 0.74849(17) 0.64558(14) 0.29607(14) 0.0419(10) Uani 0.876(2) 1 d D U P
H 1
F8_13 F 0.83156(17) 0.65041(10) 0.27353(10) 0.0432(8) Uani 0.876(2) 1 d D U P H
1
F9_13 F 0.84000(16) 0.66521(9) 0.33856(11) 0.0343(7) Uani 0.876(2) 1 d D U P H
1
O1_14 O 0.817(4) 0.564(2) 0.345(2) 0.0214(6) Uani 0.0149(18) 1 d D U P H 2
C1_14 C 0.835(3) 0.5899(17) 0.3182(15) 0.0197(7) Uani 0.0149(18) 1 d D U P H 2
C2_14 C 0.858(3) 0.6342(19) 0.3393(18) 0.023(5) Uani 0.0149(18) 1 d D U P H 2
F1_14 F 0.825(4) 0.645(3) 0.365(3) 0.022(8) Uani 0.0149(18) 1 d D U P H 2
F2_14 F 0.851(4) 0.6651(18) 0.310(3) 0.023(8) Uani 0.0149(18) 1 d D U P H 2
F3_14 F 0.920(3) 0.632(3) 0.362(3) 0.023(8) Uani 0.0149(18) 1 d D U P H 2
C3_14 C 0.894(3) 0.570(2) 0.307(2) 0.021(5) Uani 0.0149(18) 1 d D U P H 2
F4_14 F 0.874(4) 0.546(3) 0.272(3) 0.023(9) Uani 0.0149(18) 1 d D U P H 2
F5_14 F 0.930(5) 0.547(4) 0.339(3) 0.021(9) Uani 0.0149(18) 1 d D U P H 2
F6_14 F 0.931(3) 0.601(3) 0.299(4) 0.019(8) Uani 0.0149(18) 1 d D U P H 2
C4_14 C 0.779(2) 0.597(2) 0.2764(17) 0.021(6) Uani 0.0149(18) 1 d D U P H 2
F7_14 F 0.749(4) 0.560(2) 0.262(3) 0.019(9) Uani 0.0149(18) 1 d D U P H 2
F8_14 F 0.800(4) 0.614(4) 0.246(2) 0.019(9) Uani 0.0149(18) 1 d D U P H 2
F9_14 F 0.736(4) 0.624(3) 0.283(3) 0.023(9) Uani 0.0149(18) 1 d D U P H 2
O1_15 O 0.3619(8) 0.2298(5) 0.4446(4) 0.0249(7) Uani 0.170(5) 1 d D U P E 2
C1_15 C 0.3977(6) 0.2502(5) 0.4797(4) 0.0212(7) Uani 0.170(5) 1 d D U P E 2
C2_15 C 0.3639(7) 0.2921(5) 0.4874(5) 0.038(4) Uani 0.170(5) 1 d D U P E 2
F1_15 F 0.3391(9) 0.3118(6) 0.4502(5) 0.042(4) Uani 0.170(5) 1 d D U P E 2
F2_15 F 0.4053(9) 0.3185(5) 0.5144(5) 0.050(4) Uani 0.170(5) 1 d D U P E 2
F3_15 F 0.3150(7) 0.2814(5) 0.5021(5) 0.039(4) Uani 0.170(5) 1 d D U P E 2
C3_15 C 0.4079(9) 0.2208(5) 0.5193(5) 0.034(4) Uani 0.170(5) 1 d D U P E 2
F4_15 F 0.4532(11) 0.1915(7) 0.5207(7) 0.048(6) Uani 0.170(5) 1 d D U P E 2
F5_15 F 0.3519(11) 0.2019(9) 0.5162(8) 0.042(6) Uani 0.170(5) 1 d D U P E 2
F6_15 F 0.4261(12) 0.2425(6) 0.5559(5) 0.056(5) Uani 0.170(5) 1 d D U P E 2
C4_15 C 0.4655(6) 0.2620(5) 0.4765(5) 0.041(4) Uani 0.170(5) 1 d D U P E 2
F7_15 F 0.4904(7) 0.2287(5) 0.4618(5) 0.042(4) Uani 0.170(5) 1 d D U P E 2
F8_15 F 0.5065(7) 0.2719(6) 0.5146(5) 0.046(4) Uani 0.170(5) 1 d D U P E 2
F9_15 F 0.4595(10) 0.2956(6) 0.4509(6) 0.049(5) Uani 0.170(5) 1 d D U P E 2
C1_16 C 0.4611(8) -0.0129(3) 0.7296(4) 0.054(3) Uani 0.478(13) 1 d D U P D 2
H1A_16 H 0.4783 -0.0137 0.7606 0.081 Uiso 0.478(13) 1 calc R U P D 2
H1B_16 H 0.4138 -0.0138 0.7210 0.081 Uiso 0.478(13) 1 calc R U P D 2
H1C_16 H 0.4751 0.0135 0.7191 0.081 Uiso 0.478(13) 1 calc R U P D 2
C2_16 C 0.4859(6) -0.0510(3) 0.7113(3) 0.028(3) Uani 0.478(13) 1 d D U P D 2
C3_16 C 0.4452(5) -0.0807(4) 0.6844(5) 0.028(3) Uani 0.478(13) 1 d D U P D 2
H3_16 H 0.3974 -0.0784 0.6788 0.034 Uiso 0.478(13) 1 calc R U P D 2
C4_16 C 0.4701(6) -0.1151(3) 0.6678(3) 0.031(3) Uani 0.478(13) 1 d D U P D 2
H4_16 H 0.4402 -0.1379 0.6518 0.037 Uiso 0.478(13) 1 calc R U P D 2
C5_16 C 0.5364(6) -0.1211(3) 0.6783(3) 0.029(2) Uani 0.478(13) 1 d D U P D 2
H5_16 H 0.5543 -0.1485 0.6710 0.034 Uiso 0.478(13) 1 calc R U P D 2
C6_16 C 0.5764(4) -0.0918(4) 0.7055(3) 0.026(2) Uani 0.478(13) 1 d D U P D 2
H6_16 H 0.6238 -0.0979 0.7165 0.032 Uiso 0.478(13) 1 calc R U P D 2
C7_16 C 0.5523(5) -0.0567(3) 0.7212(3) 0.028(2) Uani 0.478(13) 1 d D U P D 2
H7_16 H 0.5823 -0.0378 0.7428 0.034 Uiso 0.478(13) 1 calc R U P D 2
O1_17 O 0.7136(3) 0.5624(2) 0.3866(2) 0.0243(11) Uani 0.770(5) 1 d D U P B 1
C1_17 C 0.6668(3) 0.58922(17) 0.38928(16) 0.0223(8) Uani 0.770(5) 1 d D U P B 1
C2_17 C 0.6915(2) 0.63491(17) 0.40516(17) 0.0329(12) Uani 0.770(5) 1 d D U P B
1
F1_17 F 0.71764(18) 0.63543(15) 0.44709(12) 0.0473(11) Uani 0.770(5) 1 d D U P
B 1
F2_17 F 0.6449(4) 0.6646(3) 0.3953(3) 0.043(2) Uani 0.770(5) 1 d D U P B 1
F3_17 F 0.7371(3) 0.6469(2) 0.38806(19) 0.0378(13) Uani 0.770(5) 1 d D U P B 1
C3_17 C 0.6171(2) 0.59280(18) 0.34408(16) 0.0326(12) Uani 0.770(5) 1 d D U P B
1
F4_17 F 0.6046(3) 0.55490(18) 0.32526(16) 0.0420(13) Uani 0.770(5) 1 d D U P B
1
F5_17 F 0.63879(19) 0.61876(14) 0.31960(12) 0.0453(10) Uani 0.770(5) 1 d D U P
B 1
F6_17 F 0.5593(3) 0.6088(2) 0.3439(2) 0.0438(15) Uani 0.770(5) 1 d D U P B 1
C4_17 C 0.6321(3) 0.57011(18) 0.41987(17) 0.0363(12) Uani 0.770(5) 1 d D U P B
1
F7_17 F 0.5942(2) 0.53700(13) 0.40157(16) 0.0465(10) Uani 0.770(5) 1 d D U P B
1
F8_17 F 0.5939(3) 0.5990(2) 0.4303(2) 0.0554(17) Uani 0.770(5) 1 d D U P B 1
F9_17 F 0.6757(4) 0.5555(2) 0.4549(2) 0.0500(16) Uani 0.770(5) 1 d D U P B 1
O1_18 O 0.7198(9) 0.5680(8) 0.3932(8) 0.0243(11) Uani 0.230(5) 1 d D U P B 2
C1_18 C 0.6685(7) 0.5921(4) 0.3930(4) 0.0223(8) Uani 0.230(5) 1 d D U P B 2
C2_18 C 0.6619(7) 0.5914(4) 0.4385(4) 0.039(3) Uani 0.230(5) 1 d D U P B 2
F1_18 F 0.6632(14) 0.5511(5) 0.4521(9) 0.055(6) Uani 0.230(5) 1 d D U P B 2
F2_18 F 0.6065(8) 0.6083(7) 0.4404(7) 0.052(5) Uani 0.230(5) 1 d D U P B 2
F3_18 F 0.7104(6) 0.6130(4) 0.4645(4) 0.048(3) Uani 0.230(5) 1 d D U P B 2
C3_18 C 0.6789(6) 0.6391(4) 0.3809(4) 0.028(3) Uani 0.230(5) 1 d D U P B 2
F4_18 F 0.6670(6) 0.6425(4) 0.3390(3) 0.040(3) Uani 0.230(5) 1 d D U P B 2
F5_18 F 0.7395(7) 0.6510(8) 0.4011(6) 0.042(5) Uani 0.230(5) 1 d D U P B 2
F6_18 F 0.6403(13) 0.6674(7) 0.3916(8) 0.033(5) Uani 0.230(5) 1 d D U P B 2
C4_18 C 0.6045(6) 0.5758(4) 0.3609(4) 0.037(3) Uani 0.230(5) 1 d D U P B 2
F7_18 F 0.6149(12) 0.5672(7) 0.3243(6) 0.055(5) Uani 0.230(5) 1 d D U P B 2
F8_18 F 0.5573(10) 0.6051(6) 0.3545(8) 0.046(5) Uani 0.230(5) 1 d D U P B 2
F9_18 F 0.5822(6) 0.5412(4) 0.3751(5) 0.051(3) Uani 0.230(5) 1 d D U P B 2
O1_19 O 0.2153(2) 0.23540(15) 0.39069(14) 0.0222(9) Uani 0.726(5) 1 d D U P E 1
C1_19 C 0.1691(3) 0.26302(19) 0.39308(18) 0.0268(9) Uani 0.726(5) 1 d D U P E 1
C2_19 C 0.1185(3) 0.2645(2) 0.34790(17) 0.0386(13) Uani 0.726(5) 1 d D U P E 1
F1_19 F 0.1399(2) 0.28791(18) 0.32181(14) 0.0564(13) Uani 0.726(5) 1 d D U P E
1
F2_19 F 0.0615(2) 0.28141(19) 0.34808(17) 0.0505(13) Uani 0.726(5) 1 d D U P E
1
F3_19 F 0.1053(6) 0.2254(3) 0.3319(3) 0.0620(14) Uani 0.726(5) 1 d D U P E 1
C3_19 C 0.1347(3) 0.24707(19) 0.42536(18) 0.0364(13) Uani 0.726(5) 1 d D U P E
1
F4_19 F 0.1781(5) 0.2352(2) 0.4611(3) 0.0642(13) Uani 0.726(5) 1 d D U P E 1
F5_19 F 0.0984(3) 0.21235(16) 0.41031(18) 0.0520(13) Uani 0.726(5) 1 d D U P E
1
F6_19 F 0.0961(3) 0.2770(2) 0.43330(19) 0.0541(15) Uani 0.726(5) 1 d D U P E 1
C4_19 C 0.1935(3) 0.30960(18) 0.40552(19) 0.0329(12) Uani 0.726(5) 1 d D U P E
1
F7_19 F 0.2202(2) 0.31312(17) 0.44734(14) 0.0550(13) Uani 0.726(5) 1 d D U P E
1
F8_19 F 0.1480(3) 0.3395(2) 0.3954(2) 0.0368(13) Uani 0.726(5) 1 d D U P E 1
F9_19 F 0.2375(3) 0.3199(3) 0.3869(2) 0.0372(15) Uani 0.726(5) 1 d D U P E 1
O1_20 O 0.2269(6) 0.2409(5) 0.4037(4) 0.0222(9) Uani 0.274(5) 1 d D U P E 2
C1_20 C 0.1713(6) 0.2620(4) 0.3990(4) 0.0268(9) Uani 0.274(5) 1 d D U P E 2
C2_20 C 0.1066(5) 0.2429(4) 0.3710(5) 0.056(3) Uani 0.274(5) 1 d D U P E 2
F1_20 F 0.1092(15) 0.2328(8) 0.3326(6) 0.0620(14) Uani 0.274(5) 1 d D U P E 2
F2_20 F 0.0580(7) 0.2715(5) 0.3665(6) 0.074(5) Uani 0.274(5) 1 d D U P E 2
F3_20 F 0.0886(9) 0.2092(5) 0.3888(6) 0.078(4) Uani 0.274(5) 1 d D U P E 2
C3_20 C 0.1707(6) 0.2644(4) 0.4461(4) 0.050(3) Uani 0.274(5) 1 d D U P E 2
F4_20 F 0.2199(5) 0.2885(4) 0.4675(4) 0.052(3) Uani 0.274(5) 1 d D U P E 2
F5_20 F 0.1799(13) 0.2246(5) 0.4621(8) 0.0642(13) Uani 0.274(5) 1 d D U P E 2
F6_20 F 0.1171(7) 0.2791(6) 0.4514(5) 0.068(5) Uani 0.274(5) 1 d D U P E 2
C4_20 C 0.1764(6) 0.3081(4) 0.3825(4) 0.040(3) Uani 0.274(5) 1 d D U P E 2
F7_20 F 0.2362(7) 0.3224(8) 0.3972(6) 0.042(5) Uani 0.274(5) 1 d D U P E 2
F8_20 F 0.1336(9) 0.3339(7) 0.3914(8) 0.063(5) Uani 0.274(5) 1 d D U P E 2
F9_20 F 0.1585(6) 0.3096(4) 0.3401(3) 0.059(3) Uani 0.274(5) 1 d D U P E 2
C1_21 C 0.5128(16) 0.6728(6) 0.2552(7) 0.056(6) Uani 0.262(15) 1 d D U P B 2
H1A_21 H 0.4812 0.6503 0.2552 0.084 Uiso 0.262(15) 1 calc R U P B 2
H1B_21 H 0.5566 0.6615 0.2676 0.084 Uiso 0.262(15) 1 calc R U P B 2
H1C_21 H 0.5071 0.6820 0.2260 0.084 Uiso 0.262(15) 1 calc R U P B 2
C2_21 C 0.5028(10) 0.7101(5) 0.2808(5) 0.027(4) Uani 0.262(15) 1 d D U P B 2
C3_21 C 0.5534(7) 0.7322(7) 0.3093(6) 0.029(4) Uani 0.262(15) 1 d D U P B 2
H3_21 H 0.5991 0.7237 0.3127 0.035 Uiso 0.262(15) 1 calc R U P B 2
C4_21 C 0.5408(10) 0.7665(6) 0.3326(5) 0.033(4) Uani 0.262(15) 1 d D U P B 2
H4_21 H 0.5771 0.7855 0.3487 0.039 Uiso 0.262(15) 1 calc R U P B 2
C5_21 C 0.4782(12) 0.7787(6) 0.3271(7) 0.040(5) Uani 0.262(15) 1 d D U P B 2
H5_21 H 0.4701 0.8077 0.3373 0.049 Uiso 0.262(15) 1 calc R U P B 2
C6_21 C 0.4276(9) 0.7578(8) 0.2981(8) 0.035(4) Uani 0.262(15) 1 d D U P B 2
H6_21 H 0.3836 0.7712 0.2894 0.043 Uiso 0.262(15) 1 calc R U P B 2
C7_21 C 0.4393(9) 0.7228(8) 0.2760(8) 0.033(5) Uani 0.262(15) 1 d D U P B 2
H7_21 H 0.4027 0.7086 0.2541 0.040 Uiso 0.262(15) 1 calc R U P B 2
O1_22 O 0.7172(3) 0.2413(3) 0.4012(3) 0.0235(9) Uani 0.780(16) 1 d D U P E 1
C1_22 C 0.6655(3) 0.26767(19) 0.39058(19) 0.0232(8) Uani 0.780(16) 1 d D U P E
1
C2_22 C 0.6292(3) 0.2658(3) 0.34189(19) 0.0350(14) Uani 0.780(16) 1 d D U P E 1
F1_22 F 0.6589(3) 0.2894(2) 0.32018(19) 0.0433(14) Uani 0.780(16) 1 d D U P E 1
F2_22 F 0.5682(2) 0.2801(3) 0.33249(15) 0.0484(14) Uani 0.780(16) 1 d D U P E 1
F3_22 F 0.6270(3) 0.2260(2) 0.32809(18) 0.0507(14) Uani 0.780(16) 1 d D U P E 1
C3_22 C 0.6189(3) 0.2530(2) 0.4155(2) 0.0309(10) Uani 0.780(16) 1 d D U P E 1
F4_22 F 0.6502(4) 0.2432(3) 0.4552(2) 0.0415(11) Uani 0.780(16) 1 d D U P E 1
F5_22 F 0.5854(3) 0.21811(19) 0.3977(2) 0.0435(12) Uani 0.780(16) 1 d D U P E 1
F6_22 F 0.5755(3) 0.2839(2) 0.4160(2) 0.0366(14) Uani 0.780(16) 1 d D U P E 1
C4_22 C 0.6867(3) 0.31467(18) 0.4031(2) 0.0281(13) Uani 0.780(16) 1 d D U P E 1
F7_22 F 0.7019(4) 0.3204(2) 0.44491(19) 0.0385(13) Uani 0.780(16) 1 d D U P E 1
F8_22 F 0.6402(3) 0.34334(16) 0.3847(2) 0.0396(12) Uani 0.780(16) 1 d D U P E 1
F9_22 F 0.7385(3) 0.3243(2) 0.3921(2) 0.0368(12) Uani 0.780(16) 1 d D U P E 1
O1_23 O 0.7223(11) 0.2442(10) 0.4049(11) 0.0235(9) Uani 0.220(16) 1 d D U P E 2
C1_23 C 0.6638(8) 0.2633(5) 0.3917(5) 0.0232(8) Uani 0.220(16) 1 d D U P E 2
C2_23 C 0.6281(7) 0.2513(7) 0.3447(5) 0.030(4) Uani 0.220(16) 1 d D U P E 2
F1_23 F 0.6502(10) 0.2743(7) 0.3180(6) 0.036(4) Uani 0.220(16) 1 d D U P E 2
F2_23 F 0.5645(6) 0.2580(9) 0.3337(5) 0.047(5) Uani 0.220(16) 1 d D U P E 2
F3_23 F 0.6382(9) 0.2106(6) 0.3375(6) 0.041(4) Uani 0.220(16) 1 d D U P E 2
C3_23 C 0.6221(10) 0.2476(6) 0.4196(6) 0.0309(10) Uani 0.220(16) 1 d D U P E 2
F4_23 F 0.6576(16) 0.2480(12) 0.4601(7) 0.0415(11) Uani 0.220(16) 1 d D U P E 2
F5_23 F 0.6016(9) 0.2077(6) 0.4088(7) 0.0435(12) Uani 0.220(16) 1 d D U P E 2
F6_23 F 0.5693(11) 0.2715(7) 0.4157(8) 0.033(4) Uani 0.220(16) 1 d D U P E 2
C4_23 C 0.6715(9) 0.3127(5) 0.3955(6) 0.033(4) Uani 0.220(16) 1 d D U P E 2
F7_23 F 0.6865(13) 0.3254(8) 0.4359(6) 0.042(5) Uani 0.220(16) 1 d D U P E 2
F8_23 F 0.6177(10) 0.3339(7) 0.3743(7) 0.042(4) Uani 0.220(16) 1 d D U P E 2
F9_23 F 0.7184(10) 0.3260(7) 0.3802(7) 0.038(4) Uani 0.220(16) 1 d D U P E 2
O1_24 O 0.31132(14) 0.50351(9) 0.40651(10) 0.0239(6) Uani 0.924(5) 1 d D U P E
1
C1_24 C 0.29226(19) 0.46212(13) 0.40325(12) 0.0206(7) Uani 0.924(5) 1 d D U P E
1
C2_24 C 0.3542(2) 0.43471(14) 0.42253(13) 0.0285(9) Uani 0.924(5) 1 d D U P E 1
F1_24 F 0.40316(15) 0.44864(11) 0.40972(11) 0.0326(7) Uani 0.924(5) 1 d D U P E
1
F2_24 F 0.34539(17) 0.39331(10) 0.41120(11) 0.0418(8) Uani 0.924(5) 1 d D U P E
1
F3_24 F 0.37292(14) 0.43671(12) 0.46478(8) 0.0382(8) Uani 0.924(5) 1 d D U P E
1
C3_24 C 0.2439(2) 0.45435(15) 0.42887(13) 0.0278(9) Uani 0.924(5) 1 d D U P E 1
F4_24 F 0.18506(14) 0.46765(12) 0.40673(11) 0.0322(8) Uani 0.924(5) 1 d D U P E
1
F5_24 F 0.26195(18) 0.47622(12) 0.46491(10) 0.0346(8) Uani 0.924(5) 1 d D U P E
1
F6_24 F 0.24038(19) 0.41304(10) 0.43846(11) 0.0401(8) Uani 0.924(5) 1 d D U P E
1
C4_24 C 0.2604(2) 0.44890(14) 0.35616(12) 0.0251(8) Uani 0.924(5) 1 d D U P E 1
F7_24 F 0.21966(13) 0.47914(10) 0.33582(8) 0.0314(7) Uani 0.924(5) 1 d D U P E
1
F8_24 F 0.22696(15) 0.41218(9) 0.35251(9) 0.0366(7) Uani 0.924(5) 1 d D U P E 1
F9_24 F 0.30451(16) 0.44375(12) 0.33628(10) 0.0326(7) Uani 0.924(5) 1 d D U P E
1
O1_25 O 0.2920(15) 0.5030(7) 0.3875(11) 0.0239(6) Uani 0.076(5) 1 d D U P E 2
C1_25 C 0.2929(9) 0.4616(7) 0.3993(6) 0.0206(7) Uani 0.076(5) 1 d D U P E 2
C2_25 C 0.3633(9) 0.4478(8) 0.4236(7) 0.029(5) Uani 0.076(5) 1 d D U P E 2
F1_25 F 0.4033(14) 0.4639(11) 0.4039(10) 0.030(6) Uani 0.076(5) 1 d D U P E 2
F2_25 F 0.3717(14) 0.4053(8) 0.4258(10) 0.033(6) Uani 0.076(5) 1 d D U P E 2
F3_25 F 0.3830(13) 0.4622(11) 0.4635(7) 0.030(6) Uani 0.076(5) 1 d D U P E 2
C3_25 C 0.2502(11) 0.4546(8) 0.4288(7) 0.029(5) Uani 0.076(5) 1 d D U P E 2
F4_25 F 0.1879(11) 0.4514(13) 0.4062(11) 0.033(7) Uani 0.076(5) 1 d D U P E 2
F5_25 F 0.257(2) 0.4874(10) 0.4556(10) 0.034(8) Uani 0.076(5) 1 d D U P E 2
F6_25 F 0.2651(16) 0.4187(10) 0.4519(10) 0.039(7) Uani 0.076(5) 1 d D U P E 2
C4_25 C 0.2658(11) 0.4328(8) 0.3594(6) 0.034(5) Uani 0.076(5) 1 d D U P E 2
F7_25 F 0.2123(12) 0.4496(12) 0.3327(8) 0.036(6) Uani 0.076(5) 1 d D U P E 2
F8_25 F 0.2518(17) 0.3935(8) 0.3699(11) 0.047(7) Uani 0.076(5) 1 d D U P E 2
F9_25 F 0.3087(15) 0.4284(12) 0.3383(11) 0.035(7) Uani 0.076(5) 1 d D U P E 2
O1_26 O 0.83736(14) 0.57328(10) 0.44486(9) 0.0236(6) Uani 0.892(3) 1 d D U P H
1
C1_26 C 0.89371(19) 0.58318(13) 0.47438(12) 0.0197(7) Uani 0.892(3) 1 d D U P H
1
C2_26 C 0.9082(2) 0.54976(13) 0.51095(12) 0.0241(8) Uani 0.892(3) 1 d D U P H 1
F1_26 F 0.85556(14) 0.53900(10) 0.51992(9) 0.0342(6) Uani 0.892(3) 1 d D U P H
1
F2_26 F 0.95167(14) 0.56436(9) 0.54698(8) 0.0352(7) Uani 0.892(3) 1 d D U P H 1
F3_26 F 0.9324(2) 0.51364(10) 0.50023(14) 0.0389(8) Uani 0.892(3) 1 d D U P H 1
C3_26 C 0.95111(19) 0.58364(14) 0.45582(12) 0.0254(8) Uani 0.892(3) 1 d D U P H
1
F4_26 F 0.94801(13) 0.61897(9) 0.43186(9) 0.0337(6) Uani 0.892(3) 1 d D U P H 1
F5_26 F 0.94813(13) 0.55006(10) 0.43061(9) 0.0355(7) Uani 0.892(3) 1 d D U P H
1
F6_26 F 1.00842(12) 0.58375(10) 0.48516(9) 0.0344(6) Uani 0.892(3) 1 d D U P H
1
C4_26 C 0.8863(2) 0.62859(13) 0.49227(13) 0.0272(9) Uani 0.892(3) 1 d D U P H 1
F7_26 F 0.85941(16) 0.65563(10) 0.46193(11) 0.0406(8) Uani 0.892(3) 1 d D U P H
1
F8_26 F 0.9432(2) 0.64463(16) 0.51595(13) 0.0370(10) Uani 0.892(3) 1 d D U P H
1
F9_26 F 0.84954(16) 0.62626(10) 0.51806(10) 0.0403(7) Uani 0.892(3) 1 d D U P H
1
O1_27 O 0.8589(10) 0.5831(7) 0.4306(5) 0.0236(6) Uani 0.108(3) 1 d D U P H 2
C1_27 C 0.8946(8) 0.5893(6) 0.4712(5) 0.0197(7) Uani 0.108(3) 1 d D U P H 2
C2_27 C 0.8543(8) 0.5854(7) 0.5024(5) 0.049(5) Uani 0.108(3) 1 d D U P H 2
F1_27 F 0.8154(13) 0.6192(8) 0.4978(8) 0.060(6) Uani 0.108(3) 1 d D U P H 2
F2_27 F 0.8917(9) 0.5813(8) 0.5429(5) 0.048(5) Uani 0.108(3) 1 d D U P H 2
F3_27 F 0.8163(13) 0.5510(8) 0.4931(8) 0.065(6) Uani 0.108(3) 1 d D U P H 2
C3_27 C 0.9533(9) 0.5585(7) 0.4872(6) 0.059(5) Uani 0.108(3) 1 d D U P H 2
F4_27 F 0.9776(14) 0.5486(11) 0.4564(7) 0.074(7) Uani 0.108(3) 1 d D U P H 2
F5_27 F 0.938(2) 0.5236(9) 0.5050(13) 0.069(9) Uani 0.108(3) 1 d D U P H 2
F6_27 F 1.0003(10) 0.5790(11) 0.5172(7) 0.073(7) Uani 0.108(3) 1 d D U P H 2
C4_27 C 0.9263(10) 0.6346(6) 0.4746(7) 0.048(5) Uani 0.108(3) 1 d D U P H 2
F7_27 F 0.9753(10) 0.6312(8) 0.4583(8) 0.051(5) Uani 0.108(3) 1 d D U P H 2
F8_27 F 0.949(2) 0.6485(14) 0.5145(8) 0.045(8) Uani 0.108(3) 1 d D U P H 2
F9_27 F 0.8844(14) 0.6628(8) 0.4522(11) 0.065(7) Uani 0.108(3) 1 d D U P H 2
O1_28 O 0.7896(6) 0.1738(4) 0.3864(5) 0.0262(10) Uani 0.268(10) 1 d D U P F 2
C1_28 C 0.7835(6) 0.1330(4) 0.3979(4) 0.0229(9) Uani 0.268(10) 1 d D U P F 2
C2_28 C 0.7597(6) 0.1050(4) 0.3570(4) 0.030(3) Uani 0.268(10) 1 d D U P F 2
F1_28 F 0.7138(5) 0.1258(5) 0.3276(3) 0.036(3) Uani 0.268(10) 1 d D U P F 2
F2_28 F 0.7358(7) 0.0674(4) 0.3636(5) 0.043(3) Uani 0.268(10) 1 d D U P F 2
F3_28 F 0.8086(8) 0.0986(7) 0.3418(7) 0.030(4) Uani 0.268(10) 1 d D U P F 2
C3_28 C 0.8502(7) 0.1155(5) 0.4254(5) 0.029(4) Uani 0.268(10) 1 d D U P F 2
F4_28 F 0.8653(10) 0.1304(5) 0.4649(5) 0.035(3) Uani 0.268(10) 1 d D U P F 2
F5_28 F 0.8967(10) 0.1276(7) 0.4092(8) 0.035(4) Uani 0.268(10) 1 d D U P F 2
F6_28 F 0.8514(9) 0.0727(5) 0.4276(7) 0.034(4) Uani 0.268(10) 1 d D U P F 2
C4_28 C 0.7347(7) 0.1287(6) 0.4234(5) 0.033(3) Uani 0.268(10) 1 d D U P F 2
F7_28 F 0.7418(12) 0.1593(8) 0.4527(6) 0.037(4) Uani 0.268(10) 1 d D U P F 2
F8_28 F 0.7405(13) 0.0911(7) 0.4436(9) 0.038(4) Uani 0.268(10) 1 d D U P F 2
F9_28 F 0.6742(6) 0.1322(4) 0.3976(5) 0.0326(10) Uani 0.268(10) 1 d D U P F 2
O1_29 O 0.32511(15) 0.25519(9) 0.36268(9) 0.0264(6) Uani 0.966(2) 1 d D U P E 1
C1_29 C 0.32947(18) 0.25824(12) 0.32306(11) 0.0224(7) Uani 0.966(2) 1 d D U P E
1
C2_29 C 0.2846(2) 0.22604(14) 0.29153(12) 0.0338(9) Uani 0.966(2) 1 d D U P E 1
F1_29 F 0.31071(16) 0.18704(9) 0.29637(9) 0.0405(7) Uani 0.966(2) 1 d D U P E 1
F2_29 F 0.27222(19) 0.23761(11) 0.25134(8) 0.0573(10) Uani 0.966(2) 1 d D U P E
1
F3_29 F 0.22831(13) 0.22317(11) 0.30006(10) 0.0477(8) Uani 0.966(2) 1 d D U P E
1
C3_29 C 0.3107(2) 0.30471(13) 0.30688(13) 0.0323(9) Uani 0.966(2) 1 d D U P E 1
F4_29 F 0.33753(15) 0.33327(9) 0.33775(10) 0.0376(7) Uani 0.966(2) 1 d D U P E
1
F5_29 F 0.24716(14) 0.31055(11) 0.29638(11) 0.0502(8) Uani 0.966(2) 1 d D U P E
1
F6_29 F 0.32870(17) 0.31487(10) 0.27343(9) 0.0469(7) Uani 0.966(2) 1 d D U P E
1
C4_29 C 0.4003(2) 0.25025(14) 0.32365(15) 0.0356(10) Uani 0.966(2) 1 d D U P E
1
F7_29 F 0.43781(13) 0.28365(10) 0.34053(10) 0.0464(7) Uani 0.966(2) 1 d D U P E
1
F8_29 F 0.40506(17) 0.24440(11) 0.28455(11) 0.0507(8) Uani 0.966(2) 1 d D U P E
1
F9_29 F 0.42409(15) 0.21631(10) 0.34698(11) 0.0508(8) Uani 0.966(2) 1 d D U P E
1
O1_30 O 0.338(2) 0.2401(16) 0.3640(10) 0.0264(6) Uani 0.034(2) 1 d D U P E 2
C1_30 C 0.3271(15) 0.2545(10) 0.3244(9) 0.0224(7) Uani 0.034(2) 1 d D U P E 2
C2_30 C 0.3557(18) 0.2241(11) 0.2973(13) 0.040(4) Uani 0.034(2) 1 d D U P E 2
F1_30 F 0.4186(18) 0.231(2) 0.305(2) 0.0507(8) Uani 0.034(2) 1 d D U P E 2
F2_30 F 0.323(3) 0.2310(17) 0.2562(12) 0.036(8) Uani 0.034(2) 1 d D U P E 2
F3_30 F 0.346(4) 0.1837(11) 0.306(2) 0.047(8) Uani 0.034(2) 1 d D U P E 2
C3_30 C 0.2531(14) 0.2569(11) 0.3004(11) 0.032(5) Uani 0.034(2) 1 d D U P E 2
F4_30 F 0.218(2) 0.2595(19) 0.3270(15) 0.044(9) Uani 0.034(2) 1 d D U P E 2
F5_30 F 0.235(2) 0.2223(13) 0.2760(15) 0.025(8) Uani 0.034(2) 1 d D U P E 2
F6_30 F 0.242(2) 0.2912(13) 0.2751(14) 0.029(8) Uani 0.034(2) 1 d D U P E 2
C4_30 C 0.3560(17) 0.2999(11) 0.3235(13) 0.035(4) Uani 0.034(2) 1 d D U P E 2
F7_30 F 0.315(2) 0.3296(14) 0.328(2) 0.032(7) Uani 0.034(2) 1 d D U P E 2
F8_30 F 0.367(4) 0.3071(18) 0.2865(16) 0.0469(7) Uani 0.034(2) 1 d D U P E 2
F9_30 F 0.412(2) 0.3039(18) 0.3545(18) 0.0464(7) Uani 0.034(2) 1 d D U P E 2
O1_31 O 0.35030(14) 0.58661(10) 0.43037(9) 0.0238(6) Uani 0.925(3) 1 d D U P B
1
C1_31 C 0.38712(19) 0.59313(13) 0.47070(12) 0.0236(7) Uani 0.925(3) 1 d D U P B
1
C2_31 C 0.3891(2) 0.64223(14) 0.47912(14) 0.0343(10) Uani 0.925(3) 1 d D U P B
1
F1_31 F 0.39867(16) 0.66368(9) 0.44662(8) 0.0424(7) Uani 0.925(3) 1 d D U P B 1
F2_31 F 0.43731(18) 0.65348(11) 0.51399(9) 0.0478(9) Uani 0.925(3) 1 d D U P B
1
F3_31 F 0.33373(17) 0.65562(11) 0.48357(10) 0.0504(8) Uani 0.925(3) 1 d D U P B
1
C3_31 C 0.3610(2) 0.57052(15) 0.50384(13) 0.0349(10) Uani 0.925(3) 1 d D U P B
1
F4_31 F 0.37612(19) 0.52900(10) 0.50666(10) 0.0546(10) Uani 0.925(3) 1 d D U P
B 1
F5_31 F 0.29681(14) 0.57381(13) 0.49217(9) 0.0495(9) Uani 0.925(3) 1 d D U P B
1
F6_31 F 0.3842(2) 0.58737(14) 0.54294(10) 0.0406(9) Uani 0.925(3) 1 d D U P B 1
C4_31 C 0.4572(2) 0.57788(16) 0.47641(14) 0.0355(10) Uani 0.925(3) 1 d D U P B
1
F7_31 F 0.45618(18) 0.53883(12) 0.45988(11) 0.0536(9) Uani 0.925(3) 1 d D U P B
1
F8_31 F 0.49153(16) 0.57530(15) 0.51780(11) 0.0581(10) Uani 0.925(3) 1 d D U P
B 1
F9_31 F 0.48737(13) 0.60458(12) 0.45706(10) 0.0463(8) Uani 0.925(3) 1 d D U P B
1
O1_32 O 0.3617(13) 0.5666(10) 0.4388(8) 0.0238(6) Uani 0.075(3) 1 d D U P B 2
C1_32 C 0.3932(9) 0.5879(6) 0.4742(7) 0.0236(7) Uani 0.075(3) 1 d D U P B 2
C2_32 C 0.4612(10) 0.5686(8) 0.4964(7) 0.043(5) Uani 0.075(3) 1 d D U P B 2
F1_32 F 0.4583(18) 0.5361(10) 0.5216(11) 0.063(8) Uani 0.075(3) 1 d D U P B 2
F2_32 F 0.4997(13) 0.5993(10) 0.5197(10) 0.041(6) Uani 0.075(3) 1 d D U P B 2
F3_32 F 0.4886(13) 0.5540(12) 0.4683(8) 0.041(6) Uani 0.075(3) 1 d D U P B 2
C3_32 C 0.4055(12) 0.6353(7) 0.4636(8) 0.050(5) Uani 0.075(3) 1 d D U P B 2
F4_32 F 0.3596(16) 0.6492(10) 0.4295(9) 0.055(7) Uani 0.075(3) 1 d D U P B 2
F5_32 F 0.4623(14) 0.6373(11) 0.4561(13) 0.066(7) Uani 0.075(3) 1 d D U P B 2
F6_32 F 0.4074(18) 0.6612(9) 0.4961(10) 0.054(7) Uani 0.075(3) 1 d D U P B 2
C4_32 C 0.3538(11) 0.5889(8) 0.5062(8) 0.044(5) Uani 0.075(3) 1 d D U P B 2
F7_32 F 0.3101(16) 0.6202(11) 0.4955(11) 0.054(7) Uani 0.075(3) 1 d D U P B 2
F8_32 F 0.3908(19) 0.5968(16) 0.5461(9) 0.043(8) Uani 0.075(3) 1 d D U P B 2
F9_32 F 0.3239(18) 0.5516(10) 0.5064(12) 0.052(7) Uani 0.075(3) 1 d D U P B 2
O1_33 O 0.68691(13) 0.10253(9) 0.65291(8) 0.0222(5) Uani 0.974(2) 1 d D U P D 1
C1_33 C 0.66456(17) 0.07716(12) 0.67840(11) 0.0220(7) Uani 0.974(2) 1 d D U P D
1
C2_33 C 0.6974(2) 0.09081(15) 0.72529(12) 0.0367(10) Uani 0.974(2) 1 d D U P D
1
F1_33 F 0.76010(14) 0.09679(13) 0.73277(9) 0.0539(9) Uani 0.974(2) 1 d D U P D
1
F2_33 F 0.68878(15) 0.06210(11) 0.75272(8) 0.0498(8) Uani 0.974(2) 1 d D U P D
1
F3_33 F 0.67220(17) 0.12802(11) 0.73324(9) 0.0524(8) Uani 0.974(2) 1 d D U P D
1
C3_33 C 0.58986(18) 0.08268(13) 0.66776(12) 0.0272(8) Uani 0.974(2) 1 d D U P D
1
F4_33 F 0.55876(12) 0.06198(9) 0.63182(8) 0.0343(6) Uani 0.974(2) 1 d D U P D 1
F5_33 F 0.57308(13) 0.12339(9) 0.66181(10) 0.0416(7) Uani 0.974(2) 1 d D U P D
1
F6_33 F 0.56724(13) 0.06753(10) 0.69806(9) 0.0427(7) Uani 0.974(2) 1 d D U P D
1
C4_33 C 0.6799(2) 0.02911(13) 0.67296(13) 0.0302(9) Uani 0.974(2) 1 d D U P D 1
F7_33 F 0.66646(15) 0.01960(9) 0.63223(8) 0.0401(6) Uani 0.974(2) 1 d D U P D 1
F8_33 F 0.64468(14) 0.00249(9) 0.68890(9) 0.0429(7) Uani 0.974(2) 1 d D U P D 1
F9_33 F 0.74157(14) 0.02047(10) 0.69204(11) 0.0480(8) Uani 0.974(2) 1 d D U P D
1
O1_34 O 0.685(3) 0.0837(18) 0.6408(13) 0.0222(5) Uani 0.026(2) 1 d D U P D 2
C1_34 C 0.6691(16) 0.0783(11) 0.6767(11) 0.0220(7) Uani 0.026(2) 1 d D U P D 2
C2_34 C 0.7099(18) 0.1093(13) 0.7117(13) 0.028(6) Uani 0.026(2) 1 d D U P D 2
F1_34 F 0.7699(19) 0.112(2) 0.7095(19) 0.030(8) Uani 0.026(2) 1 d D U P D 2
F2_34 F 0.712(3) 0.096(2) 0.7506(12) 0.036(9) Uani 0.026(2) 1 d D U P D 2
F3_34 F 0.684(3) 0.1484(13) 0.7060(19) 0.030(9) Uani 0.026(2) 1 d D U P D 2
C3_34 C 0.5962(16) 0.0883(13) 0.6689(13) 0.024(5) Uani 0.026(2) 1 d D U P D 2
F4_34 F 0.561(2) 0.0528(15) 0.659(2) 0.025(8) Uani 0.026(2) 1 d D U P D 2
F5_34 F 0.575(3) 0.1162(19) 0.6372(18) 0.024(8) Uani 0.026(2) 1 d D U P D 2
F6_34 F 0.586(2) 0.106(2) 0.7031(16) 0.030(8) Uani 0.026(2) 1 d D U P D 2
C4_34 C 0.682(2) 0.0316(11) 0.6933(15) 0.0302(9) Uani 0.026(2) 1 d D U P D 2
F7_34 F 0.665(4) 0.0037(14) 0.6613(18) 0.030(7) Uani 0.026(2) 1 d D U P D 2
F8_34 F 0.650(3) 0.0215(18) 0.7202(19) 0.033(7) Uani 0.026(2) 1 d D U P D 2
F9_34 F 0.745(2) 0.026(2) 0.714(3) 0.0480(8) Uani 0.026(2) 1 d D U P D 2
C1_35 C 0.4739(17) 0.5139(7) 0.2285(9) 0.054(6) Uani 0.245(15) 1 d D U P A 2
H1A_35 H 0.5064 0.5104 0.2563 0.081 Uiso 0.245(15) 1 calc R U P A 2
H1B_35 H 0.4716 0.4877 0.2118 0.081 Uiso 0.245(15) 1 calc R U P A 2
H1C_35 H 0.4316 0.5195 0.2322 0.081 Uiso 0.245(15) 1 calc R U P A 2
C2_35 C 0.4924(11) 0.5510(6) 0.2057(6) 0.033(5) Uani 0.245(15) 1 d D U P A 2
C3_35 C 0.4489(8) 0.5748(8) 0.1743(8) 0.036(5) Uani 0.245(15) 1 d D U P A 2
H3_35 H 0.4015 0.5713 0.1699 0.043 Uiso 0.245(15) 1 calc R U P A 2
C4_35 C 0.4699(11) 0.6083(7) 0.1545(6) 0.0366(17) Uani 0.245(15) 1 d D U P A 2
H4_35 H 0.4373 0.6285 0.1362 0.044 Uiso 0.245(15) 1 calc R U P A 2
C5_35 C 0.5344(12) 0.6196(6) 0.1673(7) 0.032(4) Uani 0.245(15) 1 d D U P A 2
H5_35 H 0.5491 0.6457 0.1553 0.038 Uiso 0.245(15) 1 calc R U P A 2
C6_35 C 0.5784(8) 0.5953(7) 0.1979(8) 0.026(4) Uani 0.245(15) 1 d D U P A 2
H6_35 H 0.6255 0.6022 0.2058 0.031 Uiso 0.245(15) 1 calc R U P A 2
C7_35 C 0.5582(10) 0.5607(7) 0.2163(8) 0.024(4) Uani 0.245(15) 1 d D U P A 2
H7_35 H 0.5904 0.5433 0.2383 0.029 Uiso 0.245(15) 1 calc R U P A 2
O1_36 O 0.7938(10) 0.5768(7) 0.3450(6) 0.0214(6) Uani 0.109(2) 1 d D U P H 3
C1_36 C 0.8263(7) 0.5913(5) 0.3189(5) 0.0197(7) Uani 0.109(2) 1 d D U P H 3
C2_36 C 0.7945(8) 0.5735(6) 0.2733(5) 0.033(4) Uani 0.109(2) 1 d D U P H 3
F1_36 F 0.8121(12) 0.5328(6) 0.2705(8) 0.048(5) Uani 0.109(2) 1 d D U P H 3
F2_36 F 0.8104(11) 0.5955(7) 0.2434(5) 0.043(5) Uani 0.109(2) 1 d D U P H 3
F3_36 F 0.7304(7) 0.5734(8) 0.2638(6) 0.040(5) Uani 0.109(2) 1 d D U P H 3
C3_36 C 0.8242(9) 0.6411(5) 0.3181(6) 0.029(4) Uani 0.109(2) 1 d D U P H 3
F4_36 F 0.8380(11) 0.6571(7) 0.3573(6) 0.029(4) Uani 0.109(2) 1 d D U P H 3
F5_36 F 0.7655(9) 0.6553(9) 0.2965(10) 0.036(6) Uani 0.109(2) 1 d D U P H 3
F6_36 F 0.8667(10) 0.6575(7) 0.3005(7) 0.042(5) Uani 0.109(2) 1 d D U P H 3
C4_36 C 0.8982(7) 0.5768(5) 0.3344(5) 0.026(4) Uani 0.109(2) 1 d D U P H 3
F7_36 F 0.9329(8) 0.6019(6) 0.3657(5) 0.025(4) Uani 0.109(2) 1 d D U P H 3
F8_36 F 0.9263(11) 0.5778(8) 0.3037(7) 0.039(5) Uani 0.109(2) 1 d D U P H 3
F9_36 F 0.9033(10) 0.5372(5) 0.3502(8) 0.029(5) Uani 0.109(2) 1 d D U P H 3


_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_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs6 F029 3.032(3) . ?
Cs6 F039 3.165(3) 3_665 ?
Cs6 F019 3.201(3) . ?
Cs6 F062 3.242(3) 4_565 ?
Cs6 F02J 3.246(3) 3_665 ?
Cs6 F014 3.254(3) . ?
Cs6 F1_2 3.289(8) 2_655 ?
Cs6 F04O 3.406(4) . ?
Cs6 C5_6 3.424(7) . ?
Cs6 F2_2 3.451(9) 2_655 ?
Cs6 C4_6 3.466(7) . ?
Cs6 C6_6 3.506(6) . ?
Cs4 F021 3.032(3) . ?
Cs4 F2_1 3.145(4) 3_666 ?
Cs4 F023 3.195(3) 3_666 ?
Cs4 F6_1 3.240(4) 3_666 ?
Cs4 F6_17 3.268(6) . ?
Cs4 F1_31 3.303(4) . ?
Cs4 F2_17 3.342(8) . ?
Cs4 F03N 3.396(4) . ?
Cs4 F9_31 3.425(4) . ?
Cs4 F8_17 3.486(7) . ?
Cs4 C5_8 3.514(7) . ?
Cs4 C4_8 3.514(7) . ?
Cs2 F02R 3.094(4) . ?
Cs2 F8_26 3.207(4) 3_766 ?
Cs2 F5_12 3.226(16) . ?
Cs2 F2_26 3.241(4) 3_766 ?
Cs2 F2_19 3.252(7) 1_655 ?
Cs2 F8_19 3.283(7) 1_655 ?
Cs2 F03C 3.423(4) . ?
Cs2 C5_10 3.467(5) . ?
Cs2 C4_10 3.480(5) . ?
Cs2 F01G 3.493(5) . ?
Cs2 F6_19 3.495(7) 1_655 ?
Cs2 C6_10 3.509(5) . ?
Cs3 F4_33 3.142(3) . ?
Cs3 F00G 3.184(3) . ?
Cs3 F00F 3.218(4) 3_656 ?
Cs3 F00E 3.227(3) 3_656 ?
Cs3 F2_4 3.256(8) 4_566 ?
Cs3 F00N 3.264(3) 3_656 ?
Cs3 F8_4 3.398(9) 4_566 ?
Cs3 C5_5 3.455(10) . ?
Cs3 F8_33 3.472(5) . ?
Cs3 C4_5 3.485(11) . ?
Cs3 C3_5 3.499(16) . ?
Cs3 C6_5 3.507(9) . ?
Cs1 F7_29 3.168(5) . ?
Cs1 F6_31 3.270(6) 3_666 ?
Cs1 F6_22 3.281(8) . ?
Cs1 F2_31 3.283(5) 3_666 ?
Cs1 F9_1 3.285(5) . ?
Cs1 F1_24 3.296(6) . ?
Cs1 C5_9 3.323(6) . ?
Cs1 C6_9 3.355(6) . ?
Cs1 C4_9 3.377(6) . ?
Cs1 F8_22 3.400(8) . ?
Cs1 F4_29 3.420(6) . ?
Cs1 C7_9 3.457(6) . ?
Cs6A F062 2.729(18) 4_565 ?
Cs6A F029 2.954(10) . ?
Cs6A F039 3.035(11) 3_665 ?
Cs6A C4_35 3.08(3) . ?
Cs6A C3_35 3.09(3) . ?
Cs6A C2_35 3.26(2) . ?
Cs6A C5_35 3.30(2) . ?
Cs6A C7_35 3.38(3) . ?
Cs6A F014 3.396(12) . ?
Cs6A C6_35 3.42(2) . ?
Cs6A F019 3.486(15) . ?
Cs6A F02M 3.562(11) 3_665 ?
Cs4A F023 2.673(16) 3_666 ?
Cs4A F5_32 2.97(4) . ?
Cs4A F6_15 3.10(2) 3_666 ?
Cs4A F03N 3.260(11) . ?
Cs4A F021 3.299(11) . ?
Cs4A C5_21 3.31(3) . ?
Cs4A F8_15 3.314(18) 3_666 ?
Cs4A C6_21 3.43(3) . ?
Cs4A C4_21 3.47(2) . ?
Cs4A F4_32 3.51(4) . ?
Cs4A F2_15 3.522(19) 3_666 ?
Cs4A C7_21 3.63(3) . ?
Cs2A F1_3 3.076(7) . ?
Cs2A F02R 3.175(6) . ?
Cs2A F8_27 3.19(3) 3_766 ?
Cs2A F01G 3.258(6) . ?
Cs2A F8_20 3.270(16) 1_655 ?
Cs2A F058 3.309(7) . ?
Cs2A F03C 3.344(6) . ?
Cs2A F2_27 3.373(18) 3_766 ?
Cs2A C5_10 3.439(7) . ?
Cs2A F2_20 3.459(14) 1_655 ?
Cs2A C6_10 3.466(7) . ?
Cs2A C4_10 3.548(7) . ?
Cs3A F4_34 3.10(5) . ?
Cs3A F00G 3.126(6) . ?
Cs3A F00N 3.190(6) 3_656 ?
Cs3A F00E 3.318(6) 3_656 ?
Cs3A F7_34 3.32(7) . ?
Cs3A F017 3.336(6) 3_656 ?
Cs3A F00F 3.336(5) 3_656 ?
Cs3A F02X 3.342(6) 3_656 ?
Cs3A F6_11 3.446(15) 4_566 ?
Cs3A C5_16 3.464(11) . ?
Cs3A C6_16 3.488(10) . ?
Cs3A C4_16 3.494(12) . ?
Cs1A F9_30 2.54(4) . ?
Cs1A F8_32 3.09(3) 3_666 ?
Cs1A F9_15 3.127(16) . ?
Cs1A F2_32 3.13(3) 3_666 ?
Cs1A F8_23 3.188(19) . ?
Cs1A F2_25 3.34(3) . ?
Cs1A F6_23 3.38(2) . ?
Cs1A C6_9 3.574(6) . ?
Cs1A C5_9 3.582(6) . ?
Cs1A C4_30 3.63(3) . ?
Cs1A C4_9 3.627(6) . ?
Cs1A C7_9 3.630(6) . ?
Cs4B F023 3.084(7) 3_666 ?
Cs4B F021 3.272(5) . ?
Cs4B F03N 3.517(6) . ?
Cs4B F06I 3.767(7) . ?
O2 C06U 1.345(4) . ?
O2 Al07 1.732(3) . ?
O3 C083 1.341(5) . ?
O3 Al0A 1.729(3) . ?
O4 C07W 1.353(5) . ?
O4 Al0B 1.720(3) . ?
Cs05 F3_14 2.49(7) . ?
Cs05 F1_13 3.064(3) . ?
Cs05 F4_26 3.107(3) . ?
Cs05 F8_12 3.107(18) 3_766 ?
Cs05 F2_3 3.150(3) 3_766 ?
Cs05 F2_12 3.191(10) 3_766 ?
Cs05 F6_3 3.197(5) 3_766 ?
Cs05 F7_36 3.199(16) . ?
Cs05 F7_27 3.20(2) . ?
Cs05 F9_13 3.252(3) . ?
Cs05 F4_36 3.32(2) . ?
Cs05 F05Q 3.351(3) 1_655 ?
O5 C079 1.342(4) . ?
O5 Al0B 1.729(3) . ?
O6 C07Y 1.344(4) . ?
O6 Al0B 1.729(3) . ?
Al07 O1_34 1.57(4) . ?
Al07 O03H 1.720(3) . ?
Al07 O03I 1.725(3) . ?
Al07 O1_33 1.734(3) . ?
Al08 O1_18 1.684(17) . ?
Al08 O1_26 1.723(3) . ?
Al08 O04Y 1.724(3) . ?
Al08 O1_36 1.728(16) . ?
Al08 O1_13 1.729(3) . ?
Al08 O1_27 1.730(17) . ?
Al08 O1_17 1.741(5) . ?
Al08 O1_14 1.83(6) . ?
Al09 O1_20 1.661(12) . ?
Al09 O1_30 1.70(4) . ?
Al09 O04F 1.718(3) . ?
Al09 O1_1 1.729(3) . ?
Al09 O1_29 1.734(3) . ?
Al09 O1_15 1.734(13) . ?
Al09 O1_19 1.747(4) . ?
Al0A O1_25 1.69(2) . ?
Al0A O1_24 1.718(3) . ?
Al0A O044 1.726(3) . ?
Al0A O1_31 1.728(3) . ?
Al0A O1_32 1.78(2) . ?
Al0B O1_11 1.71(2) . ?
Al0B O1_4 1.719(9) . ?
Al0C O1_2 1.683(4) . ?
Al0C O1_23 1.69(2) . ?
Al0C O1_12 1.711(10) . ?
Al0C O041 1.721(3) . ?
Al0C O1_22 1.726(7) . ?
Al0C O1_3 1.742(3) . ?
Al0C O1_28 1.775(12) . ?
F00D C06P 1.324(5) . ?
F00E C07M 1.347(4) . ?
F00E Cs3 3.227(3) 3_656 ?
F00E Cs3A 3.317(6) 3_656 ?
F00F C075 1.352(4) . ?
F00F Cs3 3.218(4) 3_656 ?
F00F Cs3A 3.336(5) 3_656 ?
F00G C06P 1.346(4) . ?
F00I C07T 1.322(5) . ?
F00J C08M 1.332(5) . ?
F00L C076 1.335(5) . ?
F00M C076 1.324(5) . ?
F00N C06P 1.342(4) . ?
F00N Cs3A 3.190(6) 3_656 ?
F00N Cs3 3.264(3) 3_656 ?
F00O C075 1.322(5) . ?
F00P C074 1.315(5) . ?
F00Q C084 1.338(5) . ?
F00Q Cs05 3.583(3) 2_645 ?
F00R C081 1.324(5) . ?
F00S C07E 1.321(5) . ?
F00U C078 1.327(5) . ?
F00V C07T 1.331(5) . ?
F00W C07M 1.331(5) . ?
F00X C07I 1.326(5) . ?
F00Y C075 1.331(5) . ?
F00Z C06V 1.312(5) . ?
F010 C07E 1.335(5) . ?
F013 C078 1.324(5) . ?
F014 C06V 1.352(5) . ?
F015 C076 1.343(5) . ?
F017 C07Q 1.336(5) . ?
F017 Cs3A 3.336(6) 3_656 ?
F017 Cs3 3.511(5) 3_656 ?
F019 C096 1.338(5) . ?
F01A C07C 1.319(5) . ?
F01C C07M 1.329(5) . ?
F01D C07A 1.327(5) . ?
F01E C081 1.341(5) . ?
F01G C090 1.338(6) . ?
F01H C09O 1.338(5) . ?
F01I C084 1.333(5) . ?
F01J C07A 1.328(5) . ?
F01K C08V 1.321(5) . ?
F01M C07C 1.335(5) . ?
F01O C07C 1.335(5) . ?
F01Q C07A 1.337(5) . ?
F01R C074 1.343(5) . ?
F01U C08M 1.341(5) . ?
F01V C07T 1.335(5) . ?
F01W C078 1.333(5) . ?
F01X C08C 1.327(5) . ?
F01Z C07I 1.324(5) . ?
F021 C08V 1.343(5) . ?
F022 C087 1.323(5) . ?
F023 C07I 1.354(5) . ?
F023 Cs4A 2.673(16) 3_666 ?
F023 Cs4B 3.084(7) 3_666 ?
F023 Cs4 3.195(3) 3_666 ?
F025 C07E 1.329(5) . ?
F027 C07Q 1.330(5) . ?
F029 C087 1.352(5) . ?
F02B C08L 1.332(6) . ?
F02E C096 1.326(5) . ?
F02F C087 1.318(5) . ?
F02H C08V 1.331(5) . ?
F02J C06V 1.345(5) . ?
F02J Cs6 3.246(3) 3_665 ?
F02J Cs6A 3.617(16) 3_665 ?
F02M C08X 1.333(5) . ?
F02M Cs6 3.536(3) 3_665 ?
F02M Cs6A 3.562(11) 3_665 ?
F02O C08C 1.325(5) . ?
F02P C09H 1.340(6) . ?
F02R C08C 1.340(5) . ?
F02S C09W 1.318(5) . ?
F02X C07Q 1.336(5) . ?
F02X Cs3A 3.342(6) 3_656 ?
F02X Cs3 3.584(6) 3_656 ?
F037 C081 1.330(5) . ?
F039 C099 1.348(5) . ?
F039 Cs6A 3.035(11) 3_665 ?
F039 Cs6 3.165(3) 3_665 ?
F03C C0A0 1.333(5) . ?
F03E C09O 1.343(6) . ?
F03F C08M 1.318(5) . ?
O03H C086 1.349(5) . ?
O03I C09E 1.351(4) . ?
F03M C09H 1.347(6) . ?
F03N C0AD 1.338(6) . ?
F03R C096 1.330(6) . ?
F03S C0A1 1.327(6) . ?
F03T C099 1.325(5) . ?
F03V C09W 1.356(5) . ?
F03V Cs05 3.443(3) 1_455 ?
F03Y C084 1.339(5) . ?
F03Y Cs05 3.404(3) 2_645 ?
F040 C090 1.319(5) . ?
O041 C085 1.340(4) . ?
O044 C07G 1.345(5) . ?
F04B C074 1.338(5) . ?
F04D C0A1 1.323(6) . ?
O04F C07H 1.346(5) . ?
F04I C0A0 1.319(6) . ?
F04N C09W 1.341(6) . ?
F04O C08X 1.339(6) . ?
F04S C09M 1.306(6) . ?
F04X C09O 1.311(5) . ?
O04Y C07R 1.345(5) . ?
F050 C08L 1.320(7) . ?
F052 C09H 1.312(5) . ?
F058 C090 1.338(5) . ?
F05A C0AD 1.319(6) . ?
F05E C08L 1.351(5) . ?
F05F C098 1.330(6) . ?
F05K C099 1.332(6) . ?
F05Q C0A1 1.342(5) . ?
F05Q Cs05 3.351(3) 1_455 ?
F05U C08X 1.322(6) . ?
F05Y C098 1.320(7) . ?
F061 C09M 1.334(5) . ?
F062 C0AL 1.355(6) . ?
F062 Cs6A 2.729(18) 4_666 ?
F062 Cs6 3.242(3) 4_666 ?
F067 C0A0 1.333(6) . ?
F06A C09M 1.346(6) . ?
F06E C098 1.338(8) . ?
F06I C0AD 1.347(6) . ?
F06J C0AL 1.350(8) . ?
C06P C06U 1.551(5) . ?
C06U C075 1.560(5) . ?
C06U C07M 1.562(5) . ?
C06V C079 1.548(5) . ?
F06X C0AL 1.292(7) . ?
C074 C086 1.540(5) . ?
C076 C07W 1.557(5) . ?
C078 C07W 1.562(5) . ?
C079 C08X 1.556(6) . ?
C079 C099 1.558(6) . ?
C07A C07R 1.556(5) . ?
C07C C07R 1.561(6) . ?
C07E C07H 1.561(5) . ?
C07G C0A1 1.552(6) . ?
C07G C08L 1.553(6) . ?
C07G C09W 1.561(6) . ?
C07H C07Q 1.552(5) . ?
C07H C07T 1.561(5) . ?
C07I C086 1.564(6) . ?
C07I Cs4A 3.906(16) 3_666 ?
C07R C090 1.549(5) . ?
C07W C084 1.545(5) . ?
C07Y C08M 1.560(5) . ?
C07Y C096 1.561(5) . ?
C07Y C087 1.565(5) . ?
C081 C086 1.562(5) . ?
C083 C0AD 1.542(6) . ?
C083 C09H 1.554(6) . ?
C083 C08V 1.569(5) . ?
C085 C09O 1.552(5) . ?
C085 C0A0 1.555(5) . ?
C085 C08C 1.563(5) . ?
C098 C09E 1.544(6) . ?
C09E C0AL 1.540(6) . ?
C09E C09M 1.553(6) . ?
O1_1 C1_1 1.344(5) . ?
C1_1 C2_1 1.544(6) . ?
C1_1 C4_1 1.548(6) . ?
C1_1 C3_1 1.562(5) . ?
C2_1 F1_1 1.322(5) . ?
C2_1 F2_1 1.344(5) . ?
C2_1 F3_1 1.345(6) . ?
F2_1 Cs4 3.145(4) 3_666 ?
C3_1 F5_1 1.328(6) . ?
C3_1 F4_1 1.330(5) . ?
C3_1 F6_1 1.356(5) . ?
F6_1 Cs4 3.240(4) 3_666 ?
C4_1 F7_1 1.322(6) . ?
C4_1 F8_1 1.340(5) . ?
C4_1 F9_1 1.349(5) . ?
O1_2 C1_2 1.354(6) . ?
C1_2 C4_2 1.546(7) . ?
C1_2 C2_2 1.552(6) . ?
C1_2 C3_2 1.558(6) . ?
C2_2 F3_2 1.325(6) . ?
C2_2 F1_2 1.336(6) . ?
C2_2 F2_2 1.341(7) . ?
F1_2 Cs6 3.288(8) 2_645 ?
F2_2 Cs6 3.451(9) 2_645 ?
C3_2 F5_2 1.335(7) . ?
C3_2 F6_2 1.338(6) . ?
C3_2 F4_2 1.339(6) . ?
C4_2 F7_2 1.325(6) . ?
C4_2 F9_2 1.339(7) . ?
C4_2 F8_2 1.340(6) . ?
O1_3 C1_3 1.347(5) . ?
C1_3 C3_3 1.547(6) . ?
C1_3 C4_3 1.551(6) . ?
C1_3 C2_3 1.559(6) . ?
C2_3 F3_3 1.320(6) . ?
C2_3 F2_3 1.338(6) . ?
C2_3 F1_3 1.343(6) . ?
F2_3 Cs05 3.150(3) 3_766 ?
C3_3 F5_3 1.336(6) . ?
C3_3 F4_3 1.344(6) . ?
C3_3 F6_3 1.357(6) . ?
F6_3 Cs05 3.197(5) 3_766 ?
C4_3 F7_3 1.325(7) . ?
C4_3 F9_3 1.329(7) . ?
C4_3 F8_3 1.359(6) . ?
F8_3 Cs05 3.406(4) 3_766 ?
O1_4 C1_4 1.349(6) . ?
C1_4 C2_4 1.554(7) . ?
C1_4 C4_4 1.557(7) . ?
C1_4 C3_4 1.558(7) . ?
C2_4 F1_4 1.322(7) . ?
C2_4 F3_4 1.327(7) . ?
C2_4 F2_4 1.349(7) . ?
F2_4 Cs3 3.256(8) 4_665 ?
C3_4 F6_4 1.327(8) . ?
C3_4 F5_4 1.334(8) . ?
C3_4 F4_4 1.346(8) . ?
C4_4 F9_4 1.313(7) . ?
C4_4 F7_4 1.324(7) . ?
C4_4 F8_4 1.352(7) . ?
F8_4 Cs3 3.398(9) 4_665 ?
C1_5 C2_5 1.492(11) . ?
C1_5 H1A_5 0.9800 . ?
C1_5 H1B_5 0.9800 . ?
C1_5 H1C_5 0.9800 . ?
C2_5 C7_5 1.384(10) . ?
C2_5 C3_5 1.397(10) . ?
C3_5 C4_5 1.382(10) . ?
C3_5 H3_5 1.0000 . ?
C4_5 C5_5 1.383(10) . ?
C4_5 H4_5 1.0000 . ?
C5_5 C6_5 1.382(10) . ?
C5_5 H5_5 1.0000 . ?
C6_5 C7_5 1.391(10) . ?
C6_5 H6_5 1.0000 . ?
C7_5 H7_5 1.0000 . ?
C1_6 C2_6 1.505(8) . ?
C1_6 H1A_6 0.9800 . ?
C1_6 H1B_6 0.9800 . ?
C1_6 H1C_6 0.9800 . ?
C2_6 C7_6 1.394(8) . ?
C2_6 C3_6 1.397(8) . ?
C3_6 C4_6 1.385(8) . ?
C3_6 H3_6 1.0000 . ?
C4_6 C5_6 1.398(8) . ?
C4_6 H4_6 1.0000 . ?
C5_6 C6_6 1.387(8) . ?
C5_6 H5_6 1.0000 . ?
C6_6 C7_6 1.377(8) . ?
C6_6 H6_6 1.0000 . ?
C7_6 H7_6 1.0000 . ?
C1_7 C2_7 1.487(7) . ?
C1_7 H1A_7 0.9800 . ?
C1_7 H1B_7 0.9800 . ?
C1_7 H1C_7 0.9800 . ?
C2_7 C7_7 1.396(6) . ?
C2_7 C3_7 1.407(6) . ?
C3_7 C4_7 1.390(7) . ?
C3_7 H3_7 1.0000 . ?
C4_7 C5_7 1.367(7) . ?
C4_7 H4_7 1.0000 . ?
C5_7 C6_7 1.375(7) . ?
C5_7 H5_7 1.0000 . ?
C6_7 C7_7 1.361(6) . ?
C6_7 H6_7 1.0000 . ?
C7_7 H7_7 1.0000 . ?
C1_8 C2_8 1.496(8) . ?
C1_8 H1A_8 0.9800 . ?
C1_8 H1B_8 0.9800 . ?
C1_8 H1C_8 0.9800 . ?
C2_8 C3_8 1.392(8) . ?
C2_8 C7_8 1.403(8) . ?
C3_8 C4_8 1.382(9) . ?
C3_8 H3_8 1.0000 . ?
C4_8 C5_8 1.391(9) . ?
C4_8 H4_8 1.0000 . ?
C5_8 C6_8 1.376(8) . ?
C5_8 H5_8 1.0000 . ?
C6_8 C7_8 1.388(8) . ?
C6_8 H6_8 1.0000 . ?
C7_8 H7_8 1.0000 . ?
C1_9 C2_9 1.506(6) . ?
C1_9 H1A_9 0.9800 . ?
C1_9 H1B_9 0.9800 . ?
C1_9 H1C_9 0.9800 . ?
C2_9 C7_9 1.393(6) . ?
C2_9 C3_9 1.397(6) . ?
C3_9 C4_9 1.382(7) . ?
C3_9 H3_9 1.0000 . ?
C4_9 C5_9 1.391(6) . ?
C4_9 H4_9 1.0000 . ?
C5_9 C6_9 1.387(6) . ?
C5_9 H5_9 1.0000 . ?
C6_9 C7_9 1.385(6) . ?
C6_9 H6_9 1.0000 . ?
C7_9 H7_9 1.0000 . ?
C1_10 C2_10 1.503(7) . ?
C1_10 H1A_10 0.9800 . ?
C1_10 H1B_10 0.9800 . ?
C1_10 H1C_10 0.9800 . ?
C2_10 C3_10 1.382(6) . ?
C2_10 C7_10 1.399(6) . ?
C3_10 C4_10 1.387(6) . ?
C3_10 H3_10 1.0000 . ?
C4_10 C5_10 1.382(6) . ?
C4_10 H4_10 1.0000 . ?
C5_10 C6_10 1.387(6) . ?
C5_10 H5_10 1.0000 . ?
C6_10 C7_10 1.381(6) . ?
C6_10 H6_10 1.0000 . ?
C7_10 H7_10 1.0000 . ?
O1_11 C1_11 1.351(10) . ?
C1_11 C4_11 1.550(10) . ?
C1_11 C2_11 1.552(10) . ?
C1_11 C3_11 1.552(10) . ?
C2_11 F3_11 1.334(10) . ?
C2_11 F1_11 1.335(10) . ?
C2_11 F2_11 1.337(10) . ?
F2_11 Cs3A 3.729(16) 4_665 ?
C3_11 F5_11 1.334(10) . ?
C3_11 F4_11 1.337(10) . ?
C3_11 F6_11 1.337(11) . ?
F6_11 Cs3A 3.446(15) 4_665 ?
C4_11 F7_11 1.334(10) . ?
C4_11 F8_11 1.337(10) . ?
C4_11 F9_11 1.337(10) . ?
O1_12 C1_12 1.342(10) . ?
C1_12 C3_12 1.553(10) . ?
C1_12 C4_12 1.554(10) . ?
C1_12 C2_12 1.554(10) . ?
C2_12 F3_12 1.331(10) . ?
C2_12 F1_12 1.335(10) . ?
C2_12 F2_12 1.339(10) . ?
F2_12 Cs05 3.191(10) 3_766 ?
C3_12 F4_12 1.329(10) . ?
C3_12 F5_12 1.338(11) . ?
C3_12 F6_12 1.341(10) . ?
F6_12 Cs05 3.734(14) 3_766 ?
C4_12 F7_12 1.328(10) . ?
C4_12 F9_12 1.332(11) . ?
C4_12 F8_12 1.335(11) . ?
F8_12 Cs05 3.107(18) 3_766 ?
O1_13 C1_13 1.351(5) . ?
C1_13 C2_13 1.555(5) . ?
C1_13 C3_13 1.556(5) . ?
C1_13 C4_13 1.559(5) . ?
C2_13 F3_13 1.326(5) . ?
C2_13 F2_13 1.332(5) . ?
C2_13 F1_13 1.338(5) . ?
C3_13 F6_13 1.331(5) . ?
C3_13 F4_13 1.333(5) . ?
C3_13 F5_13 1.344(5) . ?
C4_13 F7_13 1.333(5) . ?
C4_13 F9_13 1.334(5) . ?
C4_13 F8_13 1.335(5) . ?
O1_14 C1_14 1.343(11) . ?
C1_14 C4_14 1.554(11) . ?
C1_14 C2_14 1.558(11) . ?
C1_14 C3_14 1.559(11) . ?
C2_14 F1_14 1.329(11) . ?
C2_14 F3_14 1.334(11) . ?
C2_14 F2_14 1.336(11) . ?
C3_14 F4_14 1.329(11) . ?
C3_14 F5_14 1.332(11) . ?
C3_14 F6_14 1.338(11) . ?
C4_14 F7_14 1.331(11) . ?
C4_14 F9_14 1.333(11) . ?
C4_14 F8_14 1.339(11) . ?
O1_15 C1_15 1.345(10) . ?
C1_15 C4_15 1.554(10) . ?
C1_15 C2_15 1.557(10) . ?
C1_15 C3_15 1.559(10) . ?
C2_15 F1_15 1.333(11) . ?
C2_15 F2_15 1.338(11) . ?
C2_15 F3_15 1.340(10) . ?
F2_15 Cs4A 3.522(19) 3_666 ?
C3_15 F5_15 1.328(11) . ?
C3_15 F4_15 1.332(11) . ?
C3_15 F6_15 1.339(11) . ?
F6_15 Cs4A 3.10(2) 3_666 ?
C4_15 F7_15 1.331(11) . ?
C4_15 F9_15 1.332(11) . ?
C4_15 F8_15 1.338(11) . ?
F8_15 Cs4A 3.314(18) 3_666 ?
C1_16 C2_16 1.507(10) . ?
C1_16 H1A_16 0.9800 . ?
C1_16 H1B_16 0.9800 . ?
C1_16 H1C_16 0.9800 . ?
C2_16 C7_16 1.389(10) . ?
C2_16 C3_16 1.397(10) . ?
C3_16 C4_16 1.389(11) . ?
C3_16 H3_16 1.0000 . ?
C4_16 C5_16 1.388(11) . ?
C4_16 H4_16 1.0000 . ?
C5_16 C6_16 1.387(10) . ?
C5_16 H5_16 1.0000 . ?
C6_16 C7_16 1.383(10) . ?
C6_16 H6_16 1.0000 . ?
C7_16 H7_16 1.0000 . ?
O1_17 C1_17 1.341(5) . ?
C1_17 C4_17 1.556(6) . ?
C1_17 C3_17 1.556(6) . ?
C1_17 C2_17 1.558(6) . ?
C2_17 F1_17 1.328(6) . ?
C2_17 F3_17 1.336(7) . ?
C2_17 F2_17 1.338(7) . ?
C3_17 F4_17 1.326(6) . ?
C3_17 F5_17 1.330(6) . ?
C3_17 F6_17 1.350(6) . ?
C4_17 F9_17 1.334(7) . ?
C4_17 F8_17 1.339(7) . ?
C4_17 F7_17 1.344(6) . ?
O1_18 C1_18 1.344(10) . ?
C1_18 C4_18 1.554(10) . ?
C1_18 C2_18 1.555(10) . ?
C1_18 C3_18 1.556(10) . ?
C2_18 F3_18 1.324(10) . ?
C2_18 F1_18 1.332(11) . ?
C2_18 F2_18 1.335(10) . ?
C3_18 F5_18 1.334(10) . ?
C3_18 F4_18 1.337(10) . ?
C3_18 F6_18 1.338(10) . ?
C4_18 F9_18 1.326(10) . ?
C4_18 F7_18 1.329(10) . ?
C4_18 F8_18 1.343(10) . ?
O1_19 C1_19 1.345(6) . ?
C1_19 C4_19 1.560(7) . ?
C1_19 C2_19 1.561(7) . ?
C1_19 C3_19 1.561(7) . ?
C2_19 F1_19 1.320(7) . ?
C2_19 F3_19 1.327(8) . ?
C2_19 F2_19 1.349(7) . ?
F2_19 Cs2 3.252(7) 1_455 ?
C3_19 F4_19 1.319(8) . ?
C3_19 F6_19 1.335(7) . ?
C3_19 F5_19 1.343(7) . ?
F6_19 Cs2 3.495(7) 1_455 ?
C4_19 F8_19 1.326(7) . ?
C4_19 F9_19 1.328(7) . ?
C4_19 F7_19 1.331(7) . ?
F8_19 Cs2 3.283(7) 1_455 ?
O1_20 C1_20 1.341(10) . ?
C1_20 C2_20 1.547(10) . ?
C1_20 C4_20 1.556(10) . ?
C1_20 C3_20 1.564(10) . ?
C2_20 F3_20 1.324(10) . ?
C2_20 F1_20 1.327(11) . ?
C2_20 F2_20 1.354(10) . ?
F2_20 Cs2A 3.459(14) 1_455 ?
C3_20 F6_20 1.314(10) . ?
C3_20 F4_20 1.321(10) . ?
C3_20 F5_20 1.340(10) . ?
C4_20 F7_20 1.319(10) . ?
C4_20 F8_20 1.328(10) . ?
C4_20 F9_20 1.338(10) . ?
F8_20 Cs2A 3.270(16) 1_455 ?
C1_21 C2_21 1.497(13) . ?
C1_21 H1A_21 0.9800 . ?
C1_21 H1B_21 0.9800 . ?
C1_21 H1C_21 0.9800 . ?
C2_21 C3_21 1.393(12) . ?
C2_21 C7_21 1.396(12) . ?
C3_21 C4_21 1.395(12) . ?
C3_21 H3_21 1.0000 . ?
C4_21 C5_21 1.370(12) . ?
C4_21 H4_21 1.0000 . ?
C5_21 C6_21 1.381(13) . ?
C5_21 H5_21 1.0000 . ?
C6_21 C7_21 1.384(13) . ?
C6_21 H6_21 1.0000 . ?
C7_21 H7_21 1.0000 . ?
O1_22 C1_22 1.350(6) . ?
C1_22 C4_22 1.556(6) . ?
C1_22 C3_22 1.558(6) . ?
C1_22 C2_22 1.562(6) . ?
C2_22 F3_22 1.322(7) . ?
C2_22 F1_22 1.326(7) . ?
C2_22 F2_22 1.342(6) . ?
C3_22 F4_22 1.318(6) . ?
C3_22 F5_22 1.343(6) . ?
C3_22 F6_22 1.353(6) . ?
C4_22 F9_22 1.322(6) . ?
C4_22 F7_22 1.331(6) . ?
C4_22 F8_22 1.348(6) . ?
O1_23 C1_23 1.350(10) . ?
C1_23 C4_23 1.552(10) . ?
C1_23 C2_23 1.556(10) . ?
C1_23 C3_23 1.559(10) . ?
C2_23 F3_23 1.325(11) . ?
C2_23 F2_23 1.333(10) . ?
C2_23 F1_23 1.334(10) . ?
C3_23 F4_23 1.326(11) . ?
C3_23 F5_23 1.335(11) . ?
C3_23 F6_23 1.341(11) . ?
C4_23 F9_23 1.336(11) . ?
C4_23 F7_23 1.337(11) . ?
C4_23 F8_23 1.338(11) . ?
O1_24 C1_24 1.351(5) . ?
C1_24 C4_24 1.554(5) . ?
C1_24 C2_24 1.558(5) . ?
C1_24 C3_24 1.559(5) . ?
C2_24 F3_24 1.332(5) . ?
C2_24 F1_24 1.333(5) . ?
C2_24 F2_24 1.343(5) . ?
C3_24 F5_24 1.325(5) . ?
C3_24 F4_24 1.330(5) . ?
C3_24 F6_24 1.336(5) . ?
C4_24 F7_24 1.327(5) . ?
C4_24 F9_24 1.330(5) . ?
C4_24 F8_24 1.342(5) . ?
O1_25 C1_25 1.351(11) . ?
C1_25 C2_25 1.555(10) . ?
C1_25 C3_25 1.556(10) . ?
C1_25 C4_25 1.556(10) . ?
C2_25 F3_25 1.334(11) . ?
C2_25 F1_25 1.335(11) . ?
C2_25 F2_25 1.338(11) . ?
C3_25 F5_25 1.332(11) . ?
C3_25 F4_25 1.335(11) . ?
C3_25 F6_25 1.339(11) . ?
C4_25 F7_25 1.332(11) . ?
C4_25 F9_25 1.333(11) . ?
C4_25 F8_25 1.338(11) . ?
O1_26 C1_26 1.347(4) . ?
C1_26 C3_26 1.551(5) . ?
C1_26 C2_26 1.555(5) . ?
C1_26 C4_26 1.564(5) . ?
C2_26 F1_26 1.310(5) . ?
C2_26 F3_26 1.338(5) . ?
C2_26 F2_26 1.353(4) . ?
F2_26 Cs2 3.241(4) 3_766 ?
C3_26 F6_26 1.324(4) . ?
C3_26 F5_26 1.329(5) . ?
C3_26 F4_26 1.348(5) . ?
C4_26 F7_26 1.305(5) . ?
C4_26 F9_26 1.339(5) . ?
C4_26 F8_26 1.341(6) . ?
F8_26 Cs2 3.207(4) 3_766 ?
O1_27 C1_27 1.342(11) . ?
C1_27 C2_27 1.552(10) . ?
C1_27 C3_27 1.556(10) . ?
C1_27 C4_27 1.563(10) . ?
C2_27 F1_27 1.332(11) . ?
C2_27 F3_27 1.332(11) . ?
C2_27 F2_27 1.343(11) . ?
F2_27 Cs2A 3.373(18) 3_766 ?
C3_27 F4_27 1.320(11) . ?
C3_27 F5_27 1.327(11) . ?
C3_27 F6_27 1.348(11) . ?
F6_27 Cs2A 3.58(2) 3_766 ?
C4_27 F9_27 1.319(11) . ?
C4_27 F8_27 1.331(11) . ?
C4_27 F7_27 1.337(11) . ?
F8_27 Cs2A 3.19(3) 3_766 ?
O1_28 C1_28 1.349(10) . ?
C1_28 C4_28 1.552(10) . ?
C1_28 C3_28 1.556(10) . ?
C1_28 C2_28 1.558(10) . ?
C2_28 F3_28 1.323(10) . ?
C2_28 F1_28 1.329(10) . ?
C2_28 F2_28 1.329(10) . ?
C3_28 F4_28 1.330(10) . ?
C3_28 F5_28 1.335(10) . ?
C3_28 F6_28 1.339(10) . ?
C4_28 F7_28 1.334(11) . ?
C4_28 F9_28 1.335(10) . ?
C4_28 F8_28 1.339(11) . ?
O1_29 C1_29 1.347(4) . ?
C1_29 C4_29 1.554(5) . ?
C1_29 C2_29 1.557(5) . ?
C1_29 C3_29 1.557(5) . ?
C2_29 F2_29 1.324(5) . ?
C2_29 F1_29 1.332(5) . ?
C2_29 F3_29 1.341(5) . ?
C3_29 F6_29 1.321(5) . ?
C3_29 F5_29 1.329(5) . ?
C3_29 F4_29 1.347(5) . ?
C4_29 F9_29 1.319(5) . ?
C4_29 F7_29 1.335(5) . ?
C4_29 F8_29 1.342(5) . ?
O1_30 C1_30 1.335(11) . ?
C1_30 C4_30 1.555(11) . ?
C1_30 C2_30 1.561(11) . ?
C1_30 C3_30 1.562(11) . ?
C2_30 F1_30 1.327(11) . ?
C2_30 F3_30 1.329(11) . ?
C2_30 F2_30 1.343(11) . ?
C3_30 F4_30 1.325(11) . ?
C3_30 F5_30 1.335(11) . ?
C3_30 F6_30 1.336(11) . ?
C4_30 F9_30 1.330(11) . ?
C4_30 F7_30 1.331(11) . ?
C4_30 F8_30 1.339(11) . ?
O1_31 C1_31 1.344(4) . ?
C1_31 C3_31 1.552(5) . ?
C1_31 C4_31 1.552(5) . ?
C1_31 C2_31 1.557(6) . ?
C2_31 F3_31 1.325(5) . ?
C2_31 F1_31 1.336(5) . ?
C2_31 F2_31 1.345(5) . ?
F2_31 Cs1 3.283(5) 3_666 ?
C3_31 F5_31 1.332(5) . ?
C3_31 F4_31 1.334(6) . ?
C3_31 F6_31 1.343(5) . ?
F6_31 Cs1 3.270(6) 3_666 ?
C4_31 F7_31 1.334(5) . ?
C4_31 F9_31 1.338(5) . ?
C4_31 F8_31 1.346(5) . ?
F8_31 Cs1 3.494(6) 3_666 ?
O1_32 C1_32 1.339(11) . ?
C1_32 C4_32 1.554(10) . ?
C1_32 C2_32 1.556(10) . ?
C1_32 C3_32 1.561(10) . ?
C2_32 F1_32 1.328(11) . ?
C2_32 F3_32 1.330(11) . ?
C2_32 F2_32 1.347(11) . ?
F2_32 Cs1A 3.13(3) 3_666 ?
C3_32 F4_32 1.328(11) . ?
C3_32 F5_32 1.334(11) . ?
C3_32 F6_32 1.336(11) . ?
C4_32 F7_32 1.333(11) . ?
C4_32 F9_32 1.334(11) . ?
C4_32 F8_32 1.339(11) . ?
F8_32 Cs1A 3.09(3) 3_666 ?
O1_33 C1_33 1.352(4) . ?
C1_33 C2_33 1.555(5) . ?
C1_33 C4_33 1.560(5) . ?
C1_33 C3_33 1.561(5) . ?
C2_33 F1_33 1.322(5) . ?
C2_33 F2_33 1.329(5) . ?
C2_33 F3_33 1.344(5) . ?
C3_33 F5_33 1.320(5) . ?
C3_33 F6_33 1.332(4) . ?
C3_33 F4_33 1.340(4) . ?
C4_33 F9_33 1.322(5) . ?
C4_33 F7_33 1.322(5) . ?
C4_33 F8_33 1.344(4) . ?
O1_34 C1_34 1.345(11) . ?
C1_34 C4_34 1.554(11) . ?
C1_34 C3_34 1.556(11) . ?
C1_34 C2_34 1.558(11) . ?
C2_34 F1_34 1.331(11) . ?
C2_34 F3_34 1.332(11) . ?
C2_34 F2_34 1.336(11) . ?
C3_34 F5_34 1.333(11) . ?
C3_34 F4_34 1.333(11) . ?
C3_34 F6_34 1.336(11) . ?
C4_34 F7_34 1.332(11) . ?
C4_34 F9_34 1.332(11) . ?
C4_34 F8_34 1.338(11) . ?
C1_35 C2_35 1.502(13) . ?
C1_35 H1A_35 0.9800 . ?
C1_35 H1B_35 0.9800 . ?
C1_35 H1C_35 0.9800 . ?
C2_35 C3_35 1.387(13) . ?
C2_35 C7_35 1.396(13) . ?
C3_35 C4_35 1.384(13) . ?
C3_35 H3_35 1.0000 . ?
C4_35 C5_35 1.381(13) . ?
C4_35 H4_35 1.0000 . ?
C5_35 C6_35 1.386(12) . ?
C5_35 H5_35 1.0000 . ?
C6_35 C7_35 1.376(12) . ?
C6_35 H6_35 1.0000 . ?
C7_35 H7_35 1.0000 . ?
O1_36 C1_36 1.350(11) . ?
C1_36 C4_36 1.555(10) . ?
C1_36 C2_36 1.556(10) . ?
C1_36 C3_36 1.558(10) . ?
C2_36 F3_36 1.331(11) . ?
C2_36 F2_36 1.334(11) . ?
C2_36 F1_36 1.337(11) . ?
C3_36 F5_36 1.332(11) . ?
C3_36 F4_36 1.335(11) . ?
C3_36 F6_36 1.336(11) . ?
C4_36 F9_36 1.332(11) . ?
C4_36 F7_36 1.334(11) . ?
C4_36 F8_36 1.337(11) . ?

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
F029 Cs6 F039 140.39(9) . 3_665 ?
F029 Cs6 F019 50.86(7) . . ?
F039 Cs6 F019 167.73(8) 3_665 . ?
F029 Cs6 F062 67.12(8) . 4_565 ?
F039 Cs6 F062 73.57(10) 3_665 4_565 ?
F019 Cs6 F062 116.52(8) . 4_565 ?
F029 Cs6 F02J 139.04(8) . 3_665 ?
F039 Cs6 F02J 51.04(7) 3_665 3_665 ?
F019 Cs6 F02J 126.46(7) . 3_665 ?
F062 Cs6 F02J 107.77(8) 4_565 3_665 ?
F029 Cs6 F014 57.63(8) . . ?
F039 Cs6 F014 102.16(8) 3_665 . ?
F019 Cs6 F014 88.80(7) . . ?
F062 Cs6 F014 66.27(8) 4_565 . ?
F02J Cs6 F014 82.58(7) 3_665 . ?
F029 Cs6 F1_2 143.47(16) . 2_655 ?
F039 Cs6 F1_2 75.94(17) 3_665 2_655 ?
F019 Cs6 F1_2 93.48(16) . 2_655 ?
F062 Cs6 F1_2 149.41(16) 4_565 2_655 ?
F02J Cs6 F1_2 51.98(15) 3_665 2_655 ?
F014 Cs6 F1_2 123.62(12) . 2_655 ?
F029 Cs6 F04O 72.74(8) . . ?
F039 Cs6 F04O 120.91(7) 3_665 . ?
F019 Cs6 F04O 63.09(7) . . ?
F062 Cs6 F04O 113.27(8) 4_565 . ?
F02J Cs6 F04O 72.98(7) 3_665 . ?
F014 Cs6 F04O 47.30(7) . . ?
F1_2 Cs6 F04O 84.64(12) 2_655 . ?
F029 Cs6 C5_6 122.34(13) . . ?
F039 Cs6 C5_6 67.00(16) 3_665 . ?
F019 Cs6 C5_6 103.46(16) . . ?
F062 Cs6 C5_6 97.85(18) 4_565 . ?
F02J Cs6 C5_6 98.53(12) 3_665 . ?
F014 Cs6 C5_6 163.36(18) . . ?
F1_2 Cs6 C5_6 67.57(17) 2_655 . ?
F04O Cs6 C5_6 148.87(17) . . ?
F029 Cs6 F2_2 110.69(12) . 2_655 ?
F039 Cs6 F2_2 104.05(14) 3_665 2_655 ?
F019 Cs6 F2_2 69.22(14) . 2_655 ?
F062 Cs6 F2_2 158.79(16) 4_565 2_655 ?
F02J Cs6 F2_2 59.02(15) 3_665 2_655 ?
F014 Cs6 F2_2 94.32(14) . 2_655 ?
F1_2 Cs6 F2_2 37.02(12) 2_655 2_655 ?
F04O Cs6 F2_2 49.12(13) . 2_655 ?
C5_6 Cs6 F2_2 100.5(2) . 2_655 ?
F029 Cs6 C4_6 106.88(17) . . ?
F039 Cs6 C4_6 90.11(18) 3_665 . ?
F019 Cs6 C4_6 80.07(17) . . ?
F062 Cs6 C4_6 109.18(13) 4_565 . ?
F02J Cs6 C4_6 112.70(16) 3_665 . ?
F014 Cs6 C4_6 164.51(17) . . ?
F1_2 Cs6 C4_6 68.27(17) 2_655 . ?
F04O Cs6 C4_6 132.70(14) . . ?
C5_6 Cs6 C4_6 23.40(14) . . ?
F2_2 Cs6 C4_6 91.78(18) 2_655 . ?
F029 Cs6 C6_6 111.71(15) . . ?
F039 Cs6 C6_6 60.32(12) 3_665 . ?
F019 Cs6 C6_6 113.95(12) . . ?
F062 Cs6 C6_6 74.80(18) 4_565 . ?
F02J Cs6 C6_6 105.20(13) 3_665 . ?
F014 Cs6 C6_6 140.71(17) . . ?
F1_2 Cs6 C6_6 88.12(19) 2_655 . ?
F04O Cs6 C6_6 171.93(17) . . ?
C5_6 Cs6 C6_6 23.06(14) . . ?
F2_2 Cs6 C6_6 123.1(2) 2_655 . ?
C4_6 Cs6 C6_6 40.26(15) . . ?
F021 Cs4 F2_1 104.82(9) . 3_666 ?
F021 Cs4 F023 110.64(9) . 3_666 ?
F2_1 Cs4 F023 90.22(10) 3_666 3_666 ?
F021 Cs4 F6_1 152.01(10) . 3_666 ?
F2_1 Cs4 F6_1 49.95(8) 3_666 3_666 ?
F023 Cs4 F6_1 63.90(9) 3_666 3_666 ?
F021 Cs4 F6_17 60.04(16) . . ?
F2_1 Cs4 F6_17 107.93(15) 3_666 . ?
F023 Cs4 F6_17 160.98(15) 3_666 . ?
F6_1 Cs4 F6_17 132.58(17) 3_666 . ?
F021 Cs4 F1_31 70.77(8) . . ?
F2_1 Cs4 F1_31 61.58(10) 3_666 . ?
F023 Cs4 F1_31 58.57(8) 3_666 . ?
F6_1 Cs4 F1_31 84.48(10) 3_666 . ?
F6_17 Cs4 F1_31 125.05(15) . . ?
F021 Cs4 F2_17 103.27(16) . . ?
F2_1 Cs4 F2_17 76.30(18) 3_666 . ?
F023 Cs4 F2_17 145.74(16) 3_666 . ?
F6_1 Cs4 F2_17 83.85(17) 3_666 . ?
F6_17 Cs4 F2_17 48.7(2) . . ?
F1_31 Cs4 F2_17 132.95(17) . . ?
F021 Cs4 F03N 48.73(7) . . ?
F2_1 Cs4 F03N 118.45(11) 3_666 . ?
F023 Cs4 F03N 64.40(8) 3_666 . ?
F6_1 Cs4 F03N 126.53(11) 3_666 . ?
F6_17 Cs4 F03N 100.80(16) . . ?
F1_31 Cs4 F03N 57.29(8) . . ?
F2_17 Cs4 F03N 149.40(16) . . ?
F021 Cs4 F9_31 53.69(8) . . ?
F2_1 Cs4 F9_31 51.24(8) 3_666 . ?
F023 Cs4 F9_31 103.88(9) 3_666 . ?
F6_1 Cs4 F9_31 99.57(9) 3_666 . ?
F6_17 Cs4 F9_31 84.08(14) . . ?
F1_31 Cs4 F9_31 45.68(8) . . ?
F2_17 Cs4 F9_31 92.07(17) . . ?
F03N Cs4 F9_31 80.27(8) . . ?
F021 Cs4 F8_17 66.17(13) . . ?
F2_1 Cs4 F8_17 61.40(13) 3_666 . ?
F023 Cs4 F8_17 147.34(14) 3_666 . ?
F6_1 Cs4 F8_17 102.88(14) 3_666 . ?
F6_17 Cs4 F8_17 47.76(16) . . ?
F1_31 Cs4 F8_17 91.80(13) . . ?
F2_17 Cs4 F8_17 47.44(17) . . ?
F03N Cs4 F8_17 113.20(13) . . ?
F9_31 Cs4 F8_17 46.48(13) . . ?
F021 Cs4 C5_8 140.19(13) . . ?
F2_1 Cs4 C5_8 114.98(13) 3_666 . ?
F023 Cs4 C5_8 71.72(19) 3_666 . ?
F6_1 Cs4 C5_8 66.54(13) 3_666 . ?
F6_17 Cs4 C5_8 104.3(2) . . ?
F1_31 Cs4 C5_8 129.73(19) . . ?
F2_17 Cs4 C5_8 85.5(2) . . ?
F03N Cs4 C5_8 108.49(17) . . ?
F9_31 Cs4 C5_8 166.07(13) . . ?
F8_17 Cs4 C5_8 133.0(2) . . ?
F021 Cs4 C4_8 132.27(19) . . ?
F2_1 Cs4 C4_8 115.29(15) 3_666 . ?
F023 Cs4 C4_8 94.53(18) 3_666 . ?
F6_1 Cs4 C4_8 75.40(18) 3_666 . ?
F6_17 Cs4 C4_8 83.0(2) . . ?
F1_31 Cs4 C4_8 151.9(2) . . ?
F2_17 Cs4 C4_8 64.7(2) . . ?
F03N Cs4 C4_8 121.44(14) . . ?
F9_31 Cs4 C4_8 156.52(15) . . ?
F8_17 Cs4 C4_8 111.5(2) . . ?
C5_8 Cs4 C4_8 22.83(15) . . ?
F02R Cs2 F8_26 98.09(11) . 3_766 ?
F02R Cs2 F5_12 55.8(4) . . ?
F8_26 Cs2 F5_12 53.8(4) 3_766 . ?
F02R Cs2 F2_26 144.61(11) . 3_766 ?
F8_26 Cs2 F2_26 49.38(11) 3_766 3_766 ?
F5_12 Cs2 F2_26 89.6(4) . 3_766 ?
F02R Cs2 F2_19 56.65(13) . 1_655 ?
F8_26 Cs2 F2_19 103.91(15) 3_766 1_655 ?
F5_12 Cs2 F2_19 101.2(4) . 1_655 ?
F2_26 Cs2 F2_19 134.85(14) 3_766 1_655 ?
F02R Cs2 F8_19 100.99(18) . 1_655 ?
F8_26 Cs2 F8_19 77.11(16) 3_766 1_655 ?
F5_12 Cs2 F8_19 115.6(4) . 1_655 ?
F2_26 Cs2 F8_19 86.23(13) 3_766 1_655 ?
F2_19 Cs2 F8_19 49.46(16) 1_655 1_655 ?
F02R Cs2 F03C 48.14(8) . . ?
F8_26 Cs2 F03C 117.28(14) 3_766 . ?
F5_12 Cs2 F03C 64.2(4) . . ?
F2_26 Cs2 F03C 127.64(17) 3_766 . ?
F2_19 Cs2 F03C 95.89(12) 1_655 . ?
F8_19 Cs2 F03C 145.35(17) 1_655 . ?
F02R Cs2 C5_10 140.50(11) . . ?
F8_26 Cs2 C5_10 121.06(14) 3_766 . ?
F5_12 Cs2 C5_10 145.1(4) . . ?
F2_26 Cs2 C5_10 72.29(10) 3_766 . ?
F2_19 Cs2 C5_10 112.83(16) 1_655 . ?
F8_19 Cs2 C5_10 93.29(17) 1_655 . ?
F03C Cs2 C5_10 103.25(11) . . ?
F02R Cs2 C4_10 137.85(15) . . ?
F8_26 Cs2 C4_10 118.94(13) 3_766 . ?
F5_12 Cs2 C4_10 165.2(4) . . ?
F2_26 Cs2 C4_10 77.38(10) 3_766 . ?
F2_19 Cs2 C4_10 93.09(16) 1_655 . ?
F8_19 Cs2 C4_10 71.11(17) 1_655 . ?
F03C Cs2 C4_10 118.57(10) . . ?
C5_10 Cs2 C4_10 22.94(11) . . ?
F02R Cs2 F01G 120.91(13) . . ?
F8_26 Cs2 F01G 91.88(15) 3_766 . ?
F5_12 Cs2 F01G 87.4(4) . . ?
F2_26 Cs2 F01G 57.61(10) 3_766 . ?
F2_19 Cs2 F01G 164.18(11) 1_655 . ?
F8_19 Cs2 F01G 137.88(14) 1_655 . ?
F03C Cs2 F01G 75.67(10) . . ?
C5_10 Cs2 F01G 57.75(11) . . ?
C4_10 Cs2 F01G 79.75(11) . . ?
F02R Cs2 F6_19 63.95(14) . 1_655 ?
F8_26 Cs2 F6_19 57.40(14) 3_766 1_655 ?
F5_12 Cs2 F6_19 70.1(4) . 1_655 ?
F2_26 Cs2 F6_19 99.51(12) 3_766 1_655 ?
F2_19 Cs2 F6_19 46.82(13) 1_655 1_655 ?
F8_19 Cs2 F6_19 47.65(18) 1_655 1_655 ?
F03C Cs2 F6_19 111.05(13) . 1_655 ?
C5_10 Cs2 F6_19 140.92(17) . 1_655 ?
C4_10 Cs2 F6_19 118.62(17) . 1_655 ?
F01G Cs2 F6_19 148.68(14) . 1_655 ?
F02R Cs2 C6_10 119.14(10) . . ?
F8_26 Cs2 C6_10 138.71(16) 3_766 . ?
F5_12 Cs2 C6_10 134.5(4) . . ?
F2_26 Cs2 C6_10 89.70(11) 3_766 . ?
F2_19 Cs2 C6_10 111.01(15) 1_655 . ?
F8_19 Cs2 C6_10 109.76(17) 1_655 . ?
F03C Cs2 C6_10 80.82(10) . . ?
C5_10 Cs2 C6_10 22.93(10) . . ?
C4_10 Cs2 C6_10 39.98(10) . . ?
F01G Cs2 C6_10 54.94(10) . . ?
F6_19 Cs2 C6_10 154.18(18) 1_655 . ?
F4_33 Cs3 F00G 55.83(8) . . ?
F4_33 Cs3 F00F 100.88(9) . 3_656 ?
F00G Cs3 F00F 56.88(7) . 3_656 ?
F4_33 Cs3 F00E 150.55(10) . 3_656 ?
F00G Cs3 F00E 98.57(8) . 3_656 ?
F00F Cs3 F00E 49.73(7) 3_656 3_656 ?
F4_33 Cs3 F2_4 89.5(2) . 4_566 ?
F00G Cs3 F2_4 104.0(2) . 4_566 ?
F00F Cs3 F2_4 71.17(19) 3_656 4_566 ?
F00E Cs3 F2_4 82.7(2) 3_656 4_566 ?
F4_33 Cs3 F00N 111.52(11) . 3_656 ?
F00G Cs3 F00N 57.05(8) . 3_656 ?
F00F Cs3 F00N 48.66(6) 3_656 3_656 ?
F00E Cs3 F00N 50.57(7) 3_656 3_656 ?
F2_4 Cs3 F00N 118.3(2) 4_566 3_656 ?
F4_33 Cs3 F8_4 57.54(19) . 4_566 ?
F00G Cs3 F8_4 57.44(18) . 4_566 ?
F00F Cs3 F8_4 53.9(2) 3_656 4_566 ?
F00E Cs3 F8_4 97.8(2) 3_656 4_566 ?
F2_4 Cs3 F8_4 47.4(2) 4_566 4_566 ?
F00N Cs3 F8_4 96.0(2) 3_656 4_566 ?
F4_33 Cs3 C5_5 138.19(19) . . ?
F00G Cs3 C5_5 160.2(2) . . ?
F00F Cs3 C5_5 118.8(2) 3_656 . ?
F00E Cs3 C5_5 70.6(2) 3_656 . ?
F2_4 Cs3 C5_5 91.4(3) 4_566 . ?
F00N Cs3 C5_5 104.68(17) 3_656 . ?
F8_4 Cs3 C5_5 138.7(3) 4_566 . ?
F4_33 Cs3 F8_33 51.48(8) . . ?
F00G Cs3 F8_33 92.41(11) . . ?
F00F Cs3 F8_33 148.82(10) 3_656 . ?
F00E Cs3 F8_33 154.81(14) 3_656 . ?
F2_4 Cs3 F8_33 116.6(2) 4_566 . ?
F00N Cs3 F8_33 121.77(17) 3_656 . ?
F8_4 Cs3 F8_33 107.2(2) 4_566 . ?
C5_5 Cs3 F8_33 91.8(2) . . ?
F4_33 Cs3 C4_5 133.2(2) . . ?
F00G Cs3 C4_5 166.1(2) . . ?
F00F Cs3 C4_5 109.2(2) 3_656 . ?
F00E Cs3 C4_5 69.49(18) 3_656 . ?
F2_4 Cs3 C4_5 68.4(3) 4_566 . ?
F00N Cs3 C4_5 115.33(19) 3_656 . ?
F8_4 Cs3 C4_5 115.7(3) 4_566 . ?
C5_5 Cs3 C4_5 22.98(17) . . ?
F8_33 Cs3 C4_5 101.36(17) . . ?
F4_33 Cs3 C3_5 110.6(2) . . ?
F00G Cs3 C3_5 159.0(2) . . ?
F00F Cs3 C3_5 117.6(2) 3_656 . ?
F00E Cs3 C3_5 88.8(2) 3_656 . ?
F2_4 Cs3 C3_5 57.3(3) 4_566 . ?
F00N Cs3 C3_5 137.5(2) 3_656 . ?
F8_4 Cs3 C3_5 102.3(3) 4_566 . ?
C5_5 Cs3 C3_5 40.4(2) . . ?
F8_33 Cs3 C3_5 88.9(2) . . ?
C4_5 Cs3 C3_5 22.83(18) . . ?
F4_33 Cs3 C6_5 118.0(2) . . ?
F00G Cs3 C6_5 151.6(2) . . ?
F00F Cs3 C6_5 141.0(2) 3_656 . ?
F00E Cs3 C6_5 91.5(2) 3_656 . ?
F2_4 Cs3 C6_5 103.7(2) 4_566 . ?
F00N Cs3 C6_5 113.7(2) 3_656 . ?
F8_4 Cs3 C6_5 147.4(3) 4_566 . ?
C5_5 Cs3 C6_5 22.88(17) . . ?
F8_33 Cs3 C6_5 69.1(2) . . ?
C4_5 Cs3 C6_5 39.9(2) . . ?
C3_5 Cs3 C6_5 46.5(2) . . ?
F7_29 Cs1 F6_31 141.33(19) . 3_666 ?
F7_29 Cs1 F6_22 60.62(17) . . ?
F6_31 Cs1 F6_22 80.8(2) 3_666 . ?
F7_29 Cs1 F2_31 105.53(14) . 3_666 ?
F6_31 Cs1 F2_31 48.32(11) 3_666 3_666 ?
F6_22 Cs1 F2_31 56.54(16) . 3_666 ?
F7_29 Cs1 F9_1 56.22(12) . . ?
F6_31 Cs1 F9_1 104.83(15) 3_666 . ?
F6_22 Cs1 F9_1 54.43(16) . . ?
F2_31 Cs1 F9_1 56.61(11) 3_666 . ?
F7_29 Cs1 F1_24 126.83(17) . . ?
F6_31 Cs1 F1_24 87.56(16) 3_666 . ?
F6_22 Cs1 F1_24 148.4(2) . . ?
F2_31 Cs1 F1_24 94.10(16) 3_666 . ?
F9_1 Cs1 F1_24 101.47(17) . . ?
F7_29 Cs1 C5_9 120.36(17) . . ?
F6_31 Cs1 C5_9 84.41(14) 3_666 . ?
F6_22 Cs1 C5_9 135.8(2) . . ?
F2_31 Cs1 C5_9 131.67(17) 3_666 . ?
F9_1 Cs1 C5_9 168.2(2) . . ?
F1_24 Cs1 C5_9 71.10(14) . . ?
F7_29 Cs1 C6_9 102.26(16) . . ?
F6_31 Cs1 C6_9 107.75(15) 3_666 . ?
F6_22 Cs1 C6_9 143.8(2) . . ?
F2_31 Cs1 C6_9 152.18(18) 3_666 . ?
F9_1 Cs1 C6_9 144.97(19) . . ?
F1_24 Cs1 C6_9 67.77(13) . . ?
C5_9 Cs1 C6_9 23.96(10) . . ?
F7_29 Cs1 C4_9 112.74(18) . . ?
F6_31 Cs1 C4_9 77.19(14) 3_666 . ?
F6_22 Cs1 C4_9 111.9(2) . . ?
F2_31 Cs1 C4_9 124.39(17) 3_666 . ?
F9_1 Cs1 C4_9 164.7(2) . . ?
F1_24 Cs1 C4_9 93.74(15) . . ?
C5_9 Cs1 C4_9 23.95(11) . . ?
C6_9 Cs1 C4_9 41.65(11) . . ?
F7_29 Cs1 F8_22 88.45(18) . . ?
F6_31 Cs1 F8_22 61.03(16) 3_666 . ?
F6_22 Cs1 F8_22 48.01(16) . . ?
F2_31 Cs1 F8_22 77.67(16) 3_666 . ?
F9_1 Cs1 F8_22 102.29(17) . . ?
F1_24 Cs1 F8_22 144.50(19) . . ?
C5_9 Cs1 F8_22 88.61(16) . . ?
C6_9 Cs1 F8_22 104.45(17) . . ?
C4_9 Cs1 F8_22 65.03(15) . . ?
F7_29 Cs1 F4_29 47.30(9) . . ?
F6_31 Cs1 F4_29 161.9(2) 3_666 . ?
F6_22 Cs1 F4_29 103.24(19) . . ?
F2_31 Cs1 F4_29 119.26(15) 3_666 . ?
F9_1 Cs1 F4_29 65.55(12) . . ?
F1_24 Cs1 F4_29 79.88(14) . . ?
C5_9 Cs1 F4_29 103.49(15) . . ?
C6_9 Cs1 F4_29 79.57(13) . . ?
C4_9 Cs1 F4_29 116.33(16) . . ?
F8_22 Cs1 F4_29 134.3(2) . . ?
F7_29 Cs1 C7_9 79.93(14) . . ?
F6_31 Cs1 C7_9 124.02(15) 3_666 . ?
F6_22 Cs1 C7_9 123.9(2) . . ?
F2_31 Cs1 C7_9 172.14(18) 3_666 . ?
F9_1 Cs1 C7_9 130.84(17) . . ?
F1_24 Cs1 C7_9 86.85(14) . . ?
C5_9 Cs1 C7_9 41.55(11) . . ?
C6_9 Cs1 C7_9 23.40(10) . . ?
C4_9 Cs1 C7_9 47.76(12) . . ?
F8_22 Cs1 C7_9 97.05(17) . . ?
F4_29 Cs1 C7_9 68.59(12) . . ?
F062 Cs6A F029 75.2(3) 4_565 . ?
F062 Cs6A F039 83.3(4) 4_565 3_665 ?
F029 Cs6A F039 153.6(4) . 3_665 ?
F062 Cs6A C4_35 100.2(8) 4_565 . ?
F029 Cs6A C4_35 132.1(6) . . ?
F039 Cs6A C4_35 66.3(4) 3_665 . ?
F062 Cs6A C3_35 80.7(7) 4_565 . ?
F029 Cs6A C3_35 110.2(7) . . ?
F039 Cs6A C3_35 80.6(6) 3_665 . ?
C4_35 Cs6A C3_35 25.9(3) . . ?
F062 Cs6A C2_35 85.0(7) 4_565 . ?
F029 Cs6A C2_35 87.8(5) . . ?
F039 Cs6A C2_35 105.7(6) 3_665 . ?
C4_35 Cs6A C2_35 44.5(4) . . ?
C3_35 Cs6A C2_35 25.0(3) . . ?
F062 Cs6A C5_35 123.7(8) 4_565 . ?
F029 Cs6A C5_35 125.3(5) . . ?
F039 Cs6A C5_35 79.5(5) 3_665 . ?
C4_35 Cs6A C5_35 24.7(3) . . ?
C3_35 Cs6A C5_35 43.8(4) . . ?
C2_35 Cs6A C5_35 50.2(4) . . ?
F062 Cs6A C7_35 107.2(7) 4_565 . ?
F029 Cs6A C7_35 84.7(4) . . ?
F039 Cs6A C7_35 116.7(5) 3_665 . ?
C4_35 Cs6A C7_35 50.5(5) . . ?
C3_35 Cs6A C7_35 43.2(4) . . ?
C2_35 Cs6A C7_35 24.2(3) . . ?
C5_35 Cs6A C7_35 42.1(4) . . ?
F062 Cs6A F014 69.9(3) 4_565 . ?
F029 Cs6A F014 56.6(2) . . ?
F039 Cs6A F014 101.8(3) 3_665 . ?
C4_35 Cs6A F014 165.9(6) . . ?
C3_35 Cs6A F014 149.8(8) . . ?
C2_35 Cs6A F014 140.0(5) . . ?
C5_35 Cs6A F014 166.3(8) . . ?
C7_35 Cs6A F014 141.0(5) . . ?
F062 Cs6A C6_35 126.7(7) 4_565 . ?
F029 Cs6A C6_35 101.9(5) . . ?
F039 Cs6A C6_35 103.2(5) 3_665 . ?
C4_35 Cs6A C6_35 42.7(4) . . ?
C3_35 Cs6A C6_35 49.7(4) . . ?
C2_35 Cs6A C6_35 42.0(4) . . ?
C5_35 Cs6A C6_35 23.7(3) . . ?
C7_35 Cs6A C6_35 23.3(3) . . ?
F014 Cs6A C6_35 151.4(6) . . ?
F062 Cs6A F019 123.2(4) 4_565 . ?
F029 Cs6A F019 48.3(2) . . ?
F039 Cs6A F019 152.1(7) 3_665 . ?
C4_35 Cs6A F019 112.1(5) . . ?
C3_35 Cs6A F019 110.0(5) . . ?
C2_35 Cs6A F019 86.9(5) . . ?
C5_35 Cs6A F019 90.6(5) . . ?
C7_35 Cs6A F019 67.1(4) . . ?
F014 Cs6A F019 82.0(3) . . ?
C6_35 Cs6A F019 69.4(4) . . ?
F062 Cs6A F02M 67.8(3) 4_565 3_665 ?
F029 Cs6A F02M 108.1(3) . 3_665 ?
F039 Cs6A F02M 48.29(17) 3_665 3_665 ?
C4_35 Cs6A F02M 114.0(5) . 3_665 ?
C3_35 Cs6A F02M 120.9(6) . 3_665 ?
C2_35 Cs6A F02M 142.7(7) . 3_665 ?
C5_35 Cs6A F02M 126.6(5) . 3_665 ?
C7_35 Cs6A F02M 163.7(6) . 3_665 ?
F014 Cs6A F02M 53.50(18) . 3_665 ?
C6_35 Cs6A F02M 149.5(5) . 3_665 ?
F019 Cs6A F02M 129.0(5) . 3_665 ?
F023 Cs4A F5_32 95.1(7) 3_666 . ?
F023 Cs4A F6_15 85.6(6) 3_666 3_666 ?
F5_32 Cs4A F6_15 97.2(8) . 3_666 ?
F023 Cs4A F03N 71.9(3) 3_666 . ?
F5_32 Cs4A F03N 76.9(7) . . ?
F6_15 Cs4A F03N 155.9(7) 3_666 . ?
F023 Cs4A F021 117.7(4) 3_666 . ?
F5_32 Cs4A F021 60.5(7) . . ?
F6_15 Cs4A F021 147.5(6) 3_666 . ?
F03N Cs4A F021 48.08(15) . . ?
F023 Cs4A C5_21 71.9(4) 3_666 . ?
F5_32 Cs4A C5_21 164.4(9) . . ?
F6_15 Cs4A C5_21 73.7(6) 3_666 . ?
F03N Cs4A C5_21 106.1(5) . . ?
F021 Cs4A C5_21 132.9(5) . . ?
F023 Cs4A F8_15 65.4(4) 3_666 3_666 ?
F5_32 Cs4A F8_15 56.9(8) . 3_666 ?
F6_15 Cs4A F8_15 49.4(5) 3_666 3_666 ?
F03N Cs4A F8_15 111.0(5) . 3_666 ?
F021 Cs4A F8_15 117.2(4) . 3_666 ?
C5_21 Cs4A F8_15 108.6(5) . 3_666 ?
F023 Cs4A C6_21 70.7(4) 3_666 . ?
F5_32 Cs4A C6_21 159.0(8) . . ?
F6_15 Cs4A C6_21 97.1(6) 3_666 . ?
F03N Cs4A C6_21 83.8(4) . . ?
F021 Cs4A C6_21 111.5(5) . . ?
C5_21 Cs4A C6_21 23.5(3) . . ?
F8_15 Cs4A C6_21 125.1(6) 3_666 . ?
F023 Cs4A C4_21 93.1(5) 3_666 . ?
F5_32 Cs4A C4_21 159.8(8) . . ?
F6_15 Cs4A C4_21 65.1(5) 3_666 . ?
F03N Cs4A C4_21 123.2(4) . . ?
F021 Cs4A C4_21 130.0(5) . . ?
C5_21 Cs4A C4_21 23.2(2) . . ?
F8_15 Cs4A C4_21 111.0(5) 3_666 . ?
C6_21 Cs4A C4_21 40.5(3) . . ?
F023 Cs4A F4_32 66.8(6) 3_666 . ?
F5_32 Cs4A F4_32 37.9(5) . . ?
F6_15 Cs4A F4_32 117.6(7) 3_666 . ?
F03N Cs4A F4_32 45.6(5) . . ?
F021 Cs4A F4_32 60.3(6) . . ?
C5_21 Cs4A F4_32 135.5(7) . . ?
F8_15 Cs4A F4_32 68.2(7) 3_666 . ?
C6_21 Cs4A F4_32 121.2(6) . . ?
C4_21 Cs4A F4_32 158.7(7) . . ?
F023 Cs4A F2_15 110.3(5) 3_666 3_666 ?
F5_32 Cs4A F2_15 55.7(7) . 3_666 ?
F6_15 Cs4A F2_15 47.8(4) 3_666 3_666 ?
F03N Cs4A F2_15 132.6(4) . 3_666 ?
F021 Cs4A F2_15 100.5(4) . 3_666 ?
C5_21 Cs4A F2_15 119.8(6) . 3_666 ?
F8_15 Cs4A F2_15 45.2(4) 3_666 3_666 ?
C6_21 Cs4A F2_15 143.1(6) . 3_666 ?
C4_21 Cs4A F2_15 104.2(5) . 3_666 ?
F4_32 Cs4A F2_15 90.1(5) . 3_666 ?
F023 Cs4A C7_21 90.1(5) 3_666 . ?
F5_32 Cs4A C7_21 152.1(8) . . ?
F6_15 Cs4A C7_21 110.5(5) 3_666 . ?
F03N Cs4A C7_21 78.7(4) . . ?
F021 Cs4A C7_21 92.8(4) . . ?
C5_21 Cs4A C7_21 40.1(4) . . ?
F8_15 Cs4A C7_21 147.3(6) 3_666 . ?
C6_21 Cs4A C7_21 22.4(3) . . ?
C4_21 Cs4A C7_21 45.9(4) . . ?
F4_32 Cs4A C7_21 123.4(6) . . ?
F2_15 Cs4A C7_21 146.0(6) 3_666 . ?
F1_3 Cs2A F02R 64.19(14) . . ?
F1_3 Cs2A F8_27 53.1(8) . 3_766 ?
F02R Cs2A F8_27 94.9(7) . 3_766 ?
F1_3 Cs2A F01G 82.83(18) . . ?
F02R Cs2A F01G 126.08(19) . . ?
F8_27 Cs2A F01G 97.6(8) 3_766 . ?
F1_3 Cs2A F8_20 119.9(5) . 1_655 ?
F02R Cs2A F8_20 90.6(4) . 1_655 ?
F8_27 Cs2A F8_20 78.5(9) 3_766 1_655 ?
F01G Cs2A F8_20 143.3(4) . 1_655 ?
F1_3 Cs2A F058 51.09(13) . . ?
F02R Cs2A F058 89.93(15) . . ?
F8_27 Cs2A F058 90.5(8) 3_766 . ?
F01G Cs2A F058 38.00(10) . . ?
F8_20 Cs2A F058 169.0(5) 1_655 . ?
F1_3 Cs2A F03C 65.27(15) . . ?
F02R Cs2A F03C 48.36(10) . . ?
F8_27 Cs2A F03C 118.0(8) 3_766 . ?
F01G Cs2A F03C 79.96(14) . . ?
F8_20 Cs2A F03C 134.4(4) 1_655 . ?
F058 Cs2A F03C 51.20(11) . . ?
F1_3 Cs2A F2_27 98.2(3) . 3_766 ?
F02R Cs2A F2_27 138.7(5) . 3_766 ?
F8_27 Cs2A F2_27 49.6(8) 3_766 3_766 ?
F01G Cs2A F2_27 84.5(5) . 3_766 ?
F8_20 Cs2A F2_27 65.1(6) 1_655 3_766 ?
F058 Cs2A F2_27 108.0(4) . 3_766 ?
F03C Cs2A F2_27 158.5(4) . 3_766 ?
F1_3 Cs2A C5_10 143.0(2) . . ?
F02R Cs2A C5_10 138.03(19) . . ?
F8_27 Cs2A C5_10 126.8(8) 3_766 . ?
F01G Cs2A C5_10 60.17(13) . . ?
F8_20 Cs2A C5_10 92.7(5) 1_655 . ?
F058 Cs2A C5_10 94.24(17) . . ?
F03C Cs2A C5_10 105.55(16) . . ?
F2_27 Cs2A C5_10 78.9(4) 3_766 . ?
F1_3 Cs2A F2_20 97.6(4) . 1_655 ?
F02R Cs2A F2_20 47.2(3) . 1_655 ?
F8_27 Cs2A F2_20 90.2(9) 3_766 1_655 ?
F01G Cs2A F2_20 170.5(3) . 1_655 ?
F8_20 Cs2A F2_20 43.9(5) 1_655 1_655 ?
F058 Cs2A F2_20 137.0(3) . 1_655 ?
F03C Cs2A F2_20 91.5(3) . 1_655 ?
F2_27 Cs2A F2_20 104.9(5) 3_766 1_655 ?
C5_10 Cs2A F2_20 119.0(4) . 1_655 ?
F1_3 Cs2A C6_10 132.9(2) . . ?
F02R Cs2A C6_10 118.10(17) . . ?
F8_27 Cs2A C6_10 146.0(8) 3_766 . ?
F01G Cs2A C6_10 57.33(13) . . ?
F8_20 Cs2A C6_10 107.2(5) 1_655 . ?
F058 Cs2A C6_10 82.10(15) . . ?
F03C Cs2A C6_10 82.57(14) . . ?
F2_27 Cs2A C6_10 101.4(4) 3_766 . ?
C5_10 Cs2A C6_10 23.17(11) . . ?
F2_20 Cs2A C6_10 117.6(4) 1_655 . ?
F1_3 Cs2A C4_10 163.1(2) . . ?
F02R Cs2A C4_10 131.7(2) . . ?
F8_27 Cs2A C4_10 122.1(8) 3_766 . ?
F01G Cs2A C4_10 82.00(15) . . ?
F8_20 Cs2A C4_10 70.2(5) 1_655 . ?
F058 Cs2A C4_10 116.98(18) . . ?
F03C Cs2A C4_10 118.85(17) . . ?
F2_27 Cs2A C4_10 73.1(3) 3_766 . ?
C5_10 Cs2A C4_10 22.74(11) . . ?
F2_20 Cs2A C4_10 98.6(4) 1_655 . ?
C6_10 Cs2A C4_10 39.81(12) . . ?
F4_34 Cs3A F00G 74.0(14) . . ?
F4_34 Cs3A F00N 131.5(13) . 3_656 ?
F00G Cs3A F00N 58.36(11) . 3_656 ?
F4_34 Cs3A F00E 156.0(10) . 3_656 ?
F00G Cs3A F00E 97.84(14) . 3_656 ?
F00N Cs3A F00E 50.39(10) 3_656 3_656 ?
F4_34 Cs3A F7_34 49.9(12) . . ?
F00G Cs3A F7_34 81.7(11) . . ?
F00N Cs3A F7_34 110.0(11) 3_656 . ?
F00E Cs3A F7_34 152.8(9) 3_656 . ?
F4_34 Cs3A F017 133.0(10) . 3_656 ?
F00G Cs3A F017 107.00(16) . 3_656 ?
F00N Cs3A F017 61.59(12) 3_656 3_656 ?
F00E Cs3A F017 70.76(13) 3_656 3_656 ?
F7_34 Cs3A F017 83.3(9) . 3_656 ?
F4_34 Cs3A F00F 112.2(12) . 3_656 ?
F00G Cs3A F00F 56.19(11) . 3_656 ?
F00N Cs3A F00F 48.25(9) 3_656 3_656 ?
F00E Cs3A F00F 48.07(9) 3_656 3_656 ?
F7_34 Cs3A F00F 137.9(11) . 3_656 ?
F017 Cs3A F00F 105.44(15) 3_656 3_656 ?
F4_34 Cs3A F02X 104.6(10) . 3_656 ?
F00G Cs3A F02X 75.68(13) . 3_656 ?
F00N Cs3A F02X 57.29(11) 3_656 3_656 ?
F00E Cs3A F02X 94.75(15) 3_656 3_656 ?
F7_34 Cs3A F02X 58.6(10) . 3_656 ?
F017 Cs3A F02X 37.41(9) 3_656 3_656 ?
F00F Cs3A F02X 104.07(15) 3_656 3_656 ?
F4_34 Cs3A F6_11 83.0(10) . 4_566 ?
F00G Cs3A F6_11 96.1(4) . 4_566 ?
F00N Cs3A F6_11 109.2(4) 3_656 4_566 ?
F00E Cs3A F6_11 75.4(4) 3_656 4_566 ?
F7_34 Cs3A F6_11 131.8(10) . 4_566 ?
F017 Cs3A F6_11 141.0(5) 3_656 4_566 ?
F00F Cs3A F6_11 62.4(4) 3_656 4_566 ?
F02X Cs3A F6_11 166.4(4) 3_656 4_566 ?
F4_34 Cs3A C5_16 114.2(13) . . ?
F00G Cs3A C5_16 163.7(3) . . ?
F00N Cs3A C5_16 110.1(2) 3_656 . ?
F00E Cs3A C5_16 79.8(2) 3_656 . ?
F7_34 Cs3A C5_16 93.0(10) . . ?
F017 Cs3A C5_16 56.92(18) 3_656 . ?
F00F Cs3A C5_16 126.7(3) 3_656 . ?
F02X Cs3A C5_16 88.4(2) 3_656 . ?
F6_11 Cs3A C5_16 98.8(4) 4_566 . ?
F4_34 Cs3A C6_16 92.1(13) . . ?
F00G Cs3A C6_16 154.5(2) . . ?
F00N Cs3A C6_16 127.3(3) 3_656 . ?
F00E Cs3A C6_16 102.8(2) 3_656 . ?
F7_34 Cs3A C6_16 73.1(11) . . ?
F017 Cs3A C6_16 66.8(2) 3_656 . ?
F00F Cs3A C6_16 148.6(3) 3_656 . ?
F02X Cs3A C6_16 87.7(2) 3_656 . ?
F6_11 Cs3A C6_16 103.4(4) 4_566 . ?
C5_16 Cs3A C6_16 23.02(17) . . ?
F4_34 Cs3A C4_16 117.5(14) . . ?
F00G Cs3A C4_16 165.0(2) . . ?
F00N Cs3A C4_16 111.0(2) 3_656 . ?
F00E Cs3A C4_16 67.70(19) 3_656 . ?
F7_34 Cs3A C4_16 112.9(11) . . ?
F017 Cs3A C4_16 72.8(2) 3_656 . ?
F00F Cs3A C4_16 109.0(2) 3_656 . ?
F02X Cs3A C4_16 108.4(3) 3_656 . ?
F6_11 Cs3A C4_16 76.9(5) 4_566 . ?
C5_16 Cs3A C4_16 23.01(18) . . ?
C6_16 Cs3A C4_16 39.8(2) . . ?
F9_30 Cs1A F8_32 154.7(15) . 3_666 ?
F9_30 Cs1A F9_15 64.1(15) . . ?
F8_32 Cs1A F9_15 96.9(9) 3_666 . ?
F9_30 Cs1A F2_32 124.7(17) . 3_666 ?
F8_32 Cs1A F2_32 52.8(9) 3_666 3_666 ?
F9_15 Cs1A F2_32 67.1(7) . 3_666 ?
F9_30 Cs1A F8_23 100.5(15) . . ?
F8_32 Cs1A F8_23 66.8(10) 3_666 . ?
F9_15 Cs1A F8_23 104.8(5) . . ?
F2_32 Cs1A F8_23 115.9(7) 3_666 . ?
F9_30 Cs1A F2_25 90.1(16) . . ?
F8_32 Cs1A F2_25 100.8(10) 3_666 . ?
F9_15 Cs1A F2_25 73.7(6) . . ?
F2_32 Cs1A F2_25 51.7(8) 3_666 . ?
F8_23 Cs1A F2_25 167.4(8) . . ?
F9_30 Cs1A F6_23 72.2(13) . . ?
F8_32 Cs1A F6_23 83.4(10) 3_666 . ?
F9_15 Cs1A F6_23 55.8(6) . . ?
F2_32 Cs1A F6_23 100.5(7) 3_666 . ?
F8_23 Cs1A F6_23 49.7(5) . . ?
F2_25 Cs1A F6_23 129.5(6) . . ?
F9_30 Cs1A C6_9 99.0(13) . . ?
F8_32 Cs1A C6_9 104.4(9) 3_666 . ?
F9_15 Cs1A C6_9 153.2(4) . . ?
F2_32 Cs1A C6_9 114.0(6) 3_666 . ?
F8_23 Cs1A C6_9 98.5(3) . . ?
F2_25 Cs1A C6_9 86.3(5) . . ?
F6_23 Cs1A C6_9 142.0(4) . . ?
F9_30 Cs1A C5_9 119.7(14) . . ?
F8_32 Cs1A C5_9 82.5(9) 3_666 . ?
F9_15 Cs1A C5_9 168.0(5) . . ?
F2_32 Cs1A C5_9 103.7(6) 3_666 . ?
F8_23 Cs1A C5_9 86.1(4) . . ?
F2_25 Cs1A C5_9 94.5(5) . . ?
F6_23 Cs1A C5_9 135.6(4) . . ?
C6_9 Cs1A C5_9 22.34(10) . . ?
F9_30 Cs1A C4_30 14.5(9) . . ?
F8_32 Cs1A C4_30 169.2(11) 3_666 . ?
F9_15 Cs1A C4_30 74.9(7) . . ?
F2_32 Cs1A C4_30 127.3(9) 3_666 . ?
F8_23 Cs1A C4_30 108.0(8) . . ?
F2_25 Cs1A C4_30 83.9(8) . . ?
F6_23 Cs1A C4_30 86.1(8) . . ?
C6_9 Cs1A C4_30 85.5(6) . . ?
C5_9 Cs1A C4_30 107.0(6) . . ?
F9_30 Cs1A C4_9 120.4(15) . . ?
F8_32 Cs1A C4_9 75.0(8) 3_666 . ?
F9_15 Cs1A C4_9 167.9(4) . . ?
F2_32 Cs1A C4_9 112.8(6) 3_666 . ?
F8_23 Cs1A C4_9 63.9(4) . . ?
F2_25 Cs1A C4_9 116.3(5) . . ?
F6_23 Cs1A C4_9 113.4(4) . . ?
C6_9 Cs1A C4_9 38.81(10) . . ?
C5_9 Cs1A C4_9 22.24(10) . . ?
C4_30 Cs1A C4_9 111.8(7) . . ?
F9_30 Cs1A C7_9 80.8(14) . . ?
F8_32 Cs1A C7_9 119.2(8) 3_666 . ?
F9_15 Cs1A C7_9 143.8(4) . . ?
F2_32 Cs1A C7_9 135.7(6) 3_666 . ?
F8_23 Cs1A C7_9 89.4(4) . . ?
F2_25 Cs1A C7_9 98.9(5) . . ?
F6_23 Cs1A C7_9 123.0(4) . . ?
C6_9 Cs1A C7_9 22.15(10) . . ?
C5_9 Cs1A C7_9 39.00(11) . . ?
C4_30 Cs1A C7_9 69.1(6) . . ?
C4_9 Cs1A C7_9 44.83(11) . . ?
F023 Cs4B F021 107.32(18) 3_666 . ?
F023 Cs4B F03N 63.97(14) 3_666 . ?
F021 Cs4B F03N 46.19(9) . . ?
F023 Cs4B F06I 86.41(16) 3_666 . ?
F021 Cs4B F06I 47.19(9) . . ?
F03N Cs4B F06I 33.88(9) . . ?
C06U O2 Al07 149.2(2) . . ?
C083 O3 Al0A 147.4(3) . . ?
C07W O4 Al0B 147.7(3) . . ?
F1_13 Cs05 F4_26 58.44(8) . . ?
F1_13 Cs05 F8_12 146.1(4) . 3_766 ?
F4_26 Cs05 F8_12 109.8(4) . 3_766 ?
F3_14 Cs05 F2_3 102(2) . 3_766 ?
F1_13 Cs05 F2_12 134.4(2) . 3_766 ?
F4_26 Cs05 F2_12 76.1(2) . 3_766 ?
F8_12 Cs05 F2_12 51.3(5) 3_766 3_766 ?
F3_14 Cs05 F6_3 144.3(17) . 3_766 ?
F2_3 Cs05 F6_3 49.57(12) 3_766 3_766 ?
F3_14 Cs05 F7_27 63(2) . . ?
F2_3 Cs05 F7_27 39.1(4) 3_766 . ?
F6_3 Cs05 F7_27 88.0(4) 3_766 . ?
F1_13 Cs05 F9_13 50.00(7) . . ?
F4_26 Cs05 F9_13 68.06(8) . . ?
F8_12 Cs05 F9_13 161.2(4) 3_766 . ?
F2_12 Cs05 F9_13 111.6(2) 3_766 . ?
F7_36 Cs05 F4_36 47.7(5) . . ?
F3_14 Cs05 F05Q 100.6(19) . 1_655 ?
F1_13 Cs05 F05Q 83.52(8) . 1_655 ?
F4_26 Cs05 F05Q 99.95(8) . 1_655 ?
F8_12 Cs05 F05Q 66.5(4) 3_766 1_655 ?
F2_3 Cs05 F05Q 82.35(10) 3_766 1_655 ?
F2_12 Cs05 F05Q 109.6(2) 3_766 1_655 ?
F6_3 Cs05 F05Q 59.79(12) 3_766 1_655 ?
F7_36 Cs05 F05Q 89.2(3) . 1_655 ?
F7_27 Cs05 F05Q 96.9(4) . 1_655 ?
F9_13 Cs05 F05Q 132.07(9) . 1_655 ?
F4_36 Cs05 F05Q 135.1(4) . 1_655 ?
C079 O5 Al0B 149.5(3) . . ?
C07Y O6 Al0B 147.8(3) . . ?
O1_34 Al07 O03H 131(2) . . ?
O1_34 Al07 O03I 99(2) . . ?
O03H Al07 O03I 108.51(14) . . ?
O1_34 Al07 O2 96(2) . . ?
O03H Al07 O2 112.23(13) . . ?
O03I Al07 O2 108.36(13) . . ?
O03H Al07 O1_33 107.04(14) . . ?
O03I Al07 O1_33 112.68(14) . . ?
O2 Al07 O1_33 108.07(13) . . ?
O1_18 Al08 O04Y 113.4(9) . . ?
O1_26 Al08 O04Y 112.11(15) . . ?
O04Y Al08 O1_36 99.8(7) . . ?
O1_26 Al08 O1_13 107.55(15) . . ?
O04Y Al08 O1_13 107.80(15) . . ?
O1_18 Al08 O1_27 118.4(11) . . ?
O04Y Al08 O1_27 116.0(8) . . ?
O1_26 Al08 O1_17 108.3(2) . . ?
O04Y Al08 O1_17 106.2(2) . . ?
O1_13 Al08 O1_17 115.0(3) . . ?
O1_18 Al08 O1_14 118(3) . . ?
O04Y Al08 O1_14 84(3) . . ?
O1_27 Al08 O1_14 102(3) . . ?
O1_20 Al09 O1_30 133.7(16) . . ?
O1_20 Al09 O04F 115.4(5) . . ?
O1_30 Al09 O04F 91.2(18) . . ?
O04F Al09 O1_1 114.65(17) . . ?
O04F Al09 O1_29 107.66(14) . . ?
O1_1 Al09 O1_29 108.34(16) . . ?
O1_20 Al09 O1_15 114.2(7) . . ?
O1_30 Al09 O1_15 97.3(16) . . ?
O04F Al09 O1_15 98.0(6) . . ?
O04F Al09 O1_19 106.17(19) . . ?
O1_1 Al09 O1_19 108.36(19) . . ?
O1_29 Al09 O1_19 111.7(2) . . ?
O1_25 Al0A O044 103.6(10) . . ?
O1_24 Al0A O044 109.17(15) . . ?
O1_24 Al0A O1_31 106.92(16) . . ?
O044 Al0A O1_31 112.96(15) . . ?
O1_25 Al0A O3 96.2(11) . . ?
O1_24 Al0A O3 112.95(16) . . ?
O044 Al0A O3 107.91(14) . . ?
O1_31 Al0A O3 107.01(15) . . ?
O1_25 Al0A O1_32 104.6(15) . . ?
O044 Al0A O1_32 120.7(9) . . ?
O3 Al0A O1_32 119.4(10) . . ?
O1_11 Al0B O4 113.3(11) . . ?
O1_4 Al0B O4 114.8(5) . . ?
O1_11 Al0B O5 109.1(10) . . ?
O1_4 Al0B O5 109.2(5) . . ?
O4 Al0B O5 107.09(14) . . ?
O1_11 Al0B O6 109.7(10) . . ?
O1_4 Al0B O6 108.0(5) . . ?
O4 Al0B O6 107.63(14) . . ?
O5 Al0B O6 110.02(15) . . ?
O1_2 Al0C O1_12 83.3(5) . . ?
O1_2 Al0C O041 114.4(2) . . ?
O1_23 Al0C O041 110.0(11) . . ?
O1_12 Al0C O041 119.5(4) . . ?
O1_2 Al0C O1_22 110.3(3) . . ?
O1_12 Al0C O1_22 119.1(5) . . ?
O041 Al0C O1_22 107.9(3) . . ?
O1_23 Al0C O1_3 106.8(11) . . ?
O041 Al0C O1_3 103.30(17) . . ?
O1_23 Al0C O1_28 108.3(12) . . ?
O041 Al0C O1_28 99.9(5) . . ?
O1_3 Al0C O1_28 127.5(5) . . ?
C07M F00E Cs3 142.1(2) . 3_656 ?
C07M F00E Cs3A 139.4(2) . 3_656 ?
C075 F00F Cs3 142.6(2) . 3_656 ?
C075 F00F Cs3A 142.1(2) . 3_656 ?
C06P F00G Cs3A 162.0(2) . . ?
C06P F00G Cs3 159.6(2) . . ?
C06P F00N Cs3A 147.2(2) . 3_656 ?
C06P F00N Cs3 142.9(2) . 3_656 ?
C084 F00Q Cs05 103.6(2) . 2_645 ?
C06V F014 Cs6 158.6(3) . . ?
C06V F014 Cs6A 168.6(4) . . ?
C07Q F017 Cs3A 107.3(3) . 3_656 ?
C07Q F017 Cs3 109.9(2) . 3_656 ?
C096 F019 Cs6 137.0(3) . . ?
C096 F019 Cs6A 128.2(4) . . ?
C090 F01G Cs2A 105.9(3) . . ?
C090 F01G Cs2 107.6(2) . . ?
C08V F021 Cs4 148.0(3) . . ?
C08V F021 Cs4B 146.7(3) . . ?
C08V F021 Cs4A 146.8(3) . . ?
C07I F023 Cs4A 150.2(3) . 3_666 ?
C07I F023 Cs4B 148.2(3) . 3_666 ?
C07I F023 Cs4 151.5(3) . 3_666 ?
C087 F029 Cs6A 169.1(4) . . ?
C087 F029 Cs6 159.2(2) . . ?
C06V F02J Cs6 148.3(2) . 3_665 ?
C06V F02J Cs6A 140.0(4) . 3_665 ?
C08X F02M Cs6 134.6(3) . 3_665 ?
C08X F02M Cs6A 131.9(4) . 3_665 ?
C08C F02R Cs2 151.3(3) . . ?
C08C F02R Cs2A 152.1(3) . . ?
C07Q F02X Cs3A 106.9(3) . 3_656 ?
C07Q F02X Cs3 106.2(2) . 3_656 ?
C099 F039 Cs6A 153.8(5) . 3_665 ?
C099 F039 Cs6 142.5(3) . 3_665 ?
C0A0 F03C Cs2A 121.7(3) . . ?
C0A0 F03C Cs2 117.6(3) . . ?
C086 O03H Al07 148.5(3) . . ?
C09E O03I Al07 146.1(3) . . ?
C0AD F03N Cs4A 120.4(4) . . ?
C0AD F03N Cs4 113.7(3) . . ?
C0AD F03N Cs4B 114.7(3) . . ?
C09W F03V Cs05 155.1(3) . 1_455 ?
C084 F03Y Cs05 112.6(3) . 2_645 ?
C085 O041 Al0C 148.0(3) . . ?
C07G O044 Al0A 147.1(3) . . ?
C07H O04F Al09 148.2(3) . . ?
C08X F04O Cs6 130.3(3) . . ?
C07R O04Y Al08 148.8(3) . . ?
C090 F058 Cs2A 103.4(3) . . ?
C090 F058 Cs2 104.8(3) . . ?
C0A1 F05Q Cs05 142.1(3) . 1_455 ?
C0AL F062 Cs6A 157.7(4) . 4_666 ?
C0AL F062 Cs6 158.1(3) . 4_666 ?
C0AD F06I Cs4 100.1(3) . . ?
C0AD F06I Cs4A 96.4(4) . . ?
C0AD F06I Cs4B 101.8(3) . . ?
F00D C06P F00N 107.8(3) . . ?
F00D C06P F00G 107.3(3) . . ?
F00N C06P F00G 106.3(3) . . ?
F00D C06P C06U 111.2(3) . . ?
F00N C06P C06U 113.2(3) . . ?
F00G C06P C06U 110.7(3) . . ?
O2 C06U C06P 107.6(3) . . ?
O2 C06U C075 111.4(3) . . ?
C06P C06U C075 108.9(3) . . ?
O2 C06U C07M 111.5(3) . . ?
C06P C06U C07M 108.4(3) . . ?
C075 C06U C07M 108.8(3) . . ?
F00Z C06V F02J 108.5(3) . . ?
F00Z C06V F014 106.4(3) . . ?
F02J C06V F014 106.3(3) . . ?
F00Z C06V C079 112.2(3) . . ?
F02J C06V C079 112.8(3) . . ?
F014 C06V C079 110.3(3) . . ?
F00P C074 F04B 108.2(4) . . ?
F00P C074 F01R 107.1(4) . . ?
F04B C074 F01R 106.4(4) . . ?
F00P C074 C086 111.2(3) . . ?
F04B C074 C086 112.9(4) . . ?
F01R C074 C086 110.8(3) . . ?
F00O C075 F00Y 108.3(3) . . ?
F00O C075 F00F 107.4(3) . . ?
F00Y C075 F00F 107.2(3) . . ?
F00O C075 C06U 110.9(3) . . ?
F00Y C075 C06U 110.8(3) . . ?
F00F C075 C06U 112.0(3) . . ?
F00M C076 F00L 107.4(3) . . ?
F00M C076 F015 107.0(3) . . ?
F00L C076 F015 106.9(3) . . ?
F00M C076 C07W 111.4(3) . . ?
F00L C076 C07W 111.3(3) . . ?
F015 C076 C07W 112.6(3) . . ?
F013 C078 F00U 108.3(3) . . ?
F013 C078 F01W 108.3(4) . . ?
F00U C078 F01W 106.9(4) . . ?
F013 C078 C07W 112.6(4) . . ?
F00U C078 C07W 110.0(3) . . ?
F01W C078 C07W 110.5(3) . . ?
O5 C079 C06V 108.0(3) . . ?
O5 C079 C08X 113.0(3) . . ?
C06V C079 C08X 108.9(3) . . ?
O5 C079 C099 109.3(3) . . ?
C06V C079 C099 107.8(3) . . ?
C08X C079 C099 109.7(4) . . ?
F01D C07A F01J 107.9(4) . . ?
F01D C07A F01Q 107.8(4) . . ?
F01J C07A F01Q 106.6(4) . . ?
F01D C07A C07R 111.4(3) . . ?
F01J C07A C07R 110.5(4) . . ?
F01Q C07A C07R 112.5(3) . . ?
F01A C07C F01M 108.3(3) . . ?
F01A C07C F01O 108.5(4) . . ?
F01M C07C F01O 107.1(4) . . ?
F01A C07C C07R 112.4(4) . . ?
F01M C07C C07R 109.4(3) . . ?
F01O C07C C07R 111.0(3) . . ?
F00S C07E F025 108.7(4) . . ?
F00S C07E F010 107.8(3) . . ?
F025 C07E F010 106.7(4) . . ?
F00S C07E C07H 112.9(4) . . ?
F025 C07E C07H 110.5(3) . . ?
F010 C07E C07H 110.0(3) . . ?
O044 C07G C0A1 111.2(3) . . ?
O044 C07G C08L 110.4(3) . . ?
C0A1 C07G C08L 109.5(4) . . ?
O044 C07G C09W 107.9(3) . . ?
C0A1 C07G C09W 108.9(4) . . ?
C08L C07G C09W 108.8(4) . . ?
O04F C07H C07Q 109.0(3) . . ?
O04F C07H C07E 112.5(3) . . ?
C07Q C07H C07E 108.7(3) . . ?
O04F C07H C07T 108.5(3) . . ?
C07Q C07H C07T 108.9(3) . . ?
C07E C07H C07T 109.2(3) . . ?
F01Z C07I F00X 108.0(4) . . ?
F01Z C07I F023 107.4(3) . . ?
F00X C07I F023 107.0(4) . . ?
F01Z C07I C086 111.1(4) . . ?
F00X C07I C086 111.0(3) . . ?
F023 C07I C086 112.1(3) . . ?
F01Z C07I Cs4A 96.9(3) . 3_666 ?
F00X C07I Cs4A 95.3(3) . 3_666 ?
F023 C07I Cs4A 19.9(2) . 3_666 ?
C086 C07I Cs4A 131.9(3) . 3_666 ?
F01C C07M F00W 108.4(3) . . ?
F01C C07M F00E 107.8(3) . . ?
F00W C07M F00E 107.1(3) . . ?
F01C C07M C06U 109.9(3) . . ?
F00W C07M C06U 111.2(3) . . ?
F00E C07M C06U 112.4(3) . . ?
F027 C07Q F02X 108.1(3) . . ?
F027 C07Q F017 106.8(4) . . ?
F02X C07Q F017 106.5(3) . . ?
F027 C07Q C07H 110.8(3) . . ?
F02X C07Q C07H 113.3(3) . . ?
F017 C07Q C07H 111.1(3) . . ?
O04Y C07R C090 108.4(3) . . ?
O04Y C07R C07A 108.4(3) . . ?
C090 C07R C07A 108.8(3) . . ?
O04Y C07R C07C 113.4(3) . . ?
C090 C07R C07C 108.4(3) . . ?
C07A C07R C07C 109.4(3) . . ?
F00I C07T F00V 108.3(3) . . ?
F00I C07T F01V 107.5(4) . . ?
F00V C07T F01V 107.3(3) . . ?
F00I C07T C07H 110.9(3) . . ?
F00V C07T C07H 110.2(3) . . ?
F01V C07T C07H 112.5(3) . . ?
O4 C07W C084 111.0(3) . . ?
O4 C07W C076 106.4(3) . . ?
C084 C07W C076 109.5(3) . . ?
O4 C07W C078 111.4(3) . . ?
C084 C07W C078 109.2(3) . . ?
C076 C07W C078 109.2(3) . . ?
O6 C07Y C08M 112.0(3) . . ?
O6 C07Y C096 107.1(3) . . ?
C08M C07Y C096 108.9(3) . . ?
O6 C07Y C087 110.8(3) . . ?
C08M C07Y C087 108.2(3) . . ?
C096 C07Y C087 109.8(3) . . ?
F00R C081 F037 108.2(4) . . ?
F00R C081 F01E 106.7(3) . . ?
F037 C081 F01E 107.7(4) . . ?
F00R C081 C086 110.7(3) . . ?
F037 C081 C086 112.5(3) . . ?
F01E C081 C086 110.9(3) . . ?
O3 C083 C0AD 109.4(3) . . ?
O3 C083 C09H 107.8(3) . . ?
C0AD C083 C09H 109.6(4) . . ?
O3 C083 C08V 112.1(3) . . ?
C0AD C083 C08V 109.8(3) . . ?
C09H C083 C08V 108.0(3) . . ?
F01I C084 F00Q 107.0(4) . . ?
F01I C084 F03Y 108.0(4) . . ?
F00Q C084 F03Y 107.0(4) . . ?
F01I C084 C07W 110.8(3) . . ?
F00Q C084 C07W 111.0(3) . . ?
F03Y C084 C07W 112.8(4) . . ?
O041 C085 C09O 108.8(3) . . ?
O041 C085 C0A0 108.7(3) . . ?
C09O C085 C0A0 109.2(3) . . ?
O041 C085 C08C 112.3(3) . . ?
C09O C085 C08C 108.8(3) . . ?
C0A0 C085 C08C 108.9(3) . . ?
O03H C086 C074 108.6(3) . . ?
O03H C086 C081 110.1(3) . . ?
C074 C086 C081 110.0(3) . . ?
O03H C086 C07I 110.5(3) . . ?
C074 C086 C07I 108.4(3) . . ?
C081 C086 C07I 109.2(3) . . ?
F02F C087 F022 109.0(3) . . ?
F02F C087 F029 106.9(4) . . ?
F022 C087 F029 107.3(3) . . ?
F02F C087 C07Y 113.6(3) . . ?
F022 C087 C07Y 109.8(3) . . ?
F029 C087 C07Y 109.9(3) . . ?
F02O C08C F01X 108.0(4) . . ?
F02O C08C F02R 107.5(3) . . ?
F01X C08C F02R 106.2(3) . . ?
F02O C08C C085 113.5(3) . . ?
F01X C08C C085 110.4(3) . . ?
F02R C08C C085 110.9(3) . . ?
F050 C08L F02B 107.4(4) . . ?
F050 C08L F05E 107.7(4) . . ?
F02B C08L F05E 105.9(4) . . ?
F050 C08L C07G 111.6(4) . . ?
F02B C08L C07G 111.1(4) . . ?
F05E C08L C07G 112.8(4) . . ?
F03F C08M F00J 107.4(4) . . ?
F03F C08M F01U 108.4(3) . . ?
F00J C08M F01U 106.9(3) . . ?
F03F C08M C07Y 111.1(3) . . ?
F00J C08M C07Y 110.7(3) . . ?
F01U C08M C07Y 112.2(3) . . ?
F01K C08V F02H 108.4(3) . . ?
F01K C08V F021 106.3(3) . . ?
F02H C08V F021 107.4(3) . . ?
F01K C08V C083 110.7(3) . . ?
F02H C08V C083 113.0(3) . . ?
F021 C08V C083 110.8(3) . . ?
F05U C08X F02M 108.6(4) . . ?
F05U C08X F04O 108.2(4) . . ?
F02M C08X F04O 107.7(4) . . ?
F05U C08X C079 110.5(4) . . ?
F02M C08X C079 112.8(4) . . ?
F04O C08X C079 108.9(4) . . ?
F040 C090 F01G 106.6(4) . . ?
F040 C090 F058 108.8(4) . . ?
F01G C090 F058 106.1(4) . . ?
F040 C090 C07R 111.5(4) . . ?
F01G C090 C07R 111.1(3) . . ?
F058 C090 C07R 112.5(4) . . ?
F040 C090 Cs2A 99.9(3) . . ?
F01G C090 Cs2A 54.6(2) . . ?
F058 C090 Cs2A 56.8(2) . . ?
C07R C090 Cs2A 148.5(3) . . ?
F02E C096 F03R 108.4(3) . . ?
F02E C096 F019 107.4(4) . . ?
F03R C096 F019 107.6(4) . . ?
F02E C096 C07Y 110.5(3) . . ?
F03R C096 C07Y 112.4(4) . . ?
F019 C096 C07Y 110.4(3) . . ?
F05Y C098 F05F 109.3(5) . . ?
F05Y C098 F06E 105.6(5) . . ?
F05F C098 F06E 106.5(5) . . ?
F05Y C098 C09E 111.1(4) . . ?
F05F C098 C09E 113.5(4) . . ?
F06E C098 C09E 110.4(5) . . ?
F03T C099 F05K 108.6(4) . . ?
F03T C099 F039 106.3(4) . . ?
F05K C099 F039 108.2(4) . . ?
F03T C099 C079 110.1(4) . . ?
F05K C099 C079 111.7(4) . . ?
F039 C099 C079 111.8(4) . . ?
O03I C09E C0AL 107.6(4) . . ?
O03I C09E C098 111.1(3) . . ?
C0AL C09E C098 109.3(4) . . ?
O03I C09E C09M 111.3(3) . . ?
C0AL C09E C09M 109.3(4) . . ?
C098 C09E C09M 108.3(4) . . ?
F052 C09H F02P 107.8(4) . . ?
F052 C09H F03M 107.5(4) . . ?
F02P C09H F03M 107.2(4) . . ?
F052 C09H C083 111.5(4) . . ?
F02P C09H C083 110.5(3) . . ?
F03M C09H C083 112.2(4) . . ?
F04S C09M F061 109.4(4) . . ?
F04S C09M F06A 106.6(5) . . ?
F061 C09M F06A 107.0(4) . . ?
F04S C09M C09E 111.0(4) . . ?
F061 C09M C09E 112.4(4) . . ?
F06A C09M C09E 110.3(4) . . ?
F04X C09O F01H 108.2(4) . . ?
F04X C09O F03E 107.1(4) . . ?
F01H C09O F03E 106.8(4) . . ?
F04X C09O C085 111.8(4) . . ?
F01H C09O C085 110.2(3) . . ?
F03E C09O C085 112.5(4) . . ?
F02S C09W F04N 108.2(4) . . ?
F02S C09W F03V 107.5(4) . . ?
F04N C09W F03V 106.8(4) . . ?
F02S C09W C07G 111.5(4) . . ?
F04N C09W C07G 111.1(4) . . ?
F03V C09W C07G 111.5(4) . . ?
F04I C0A0 F067 108.5(4) . . ?
F04I C0A0 F03C 107.3(4) . . ?
F067 C0A0 F03C 106.8(4) . . ?
F04I C0A0 C085 111.0(4) . . ?
F067 C0A0 C085 112.4(4) . . ?
F03C C0A0 C085 110.6(4) . . ?
F04D C0A1 F03S 108.3(4) . . ?
F04D C0A1 F05Q 107.2(4) . . ?
F03S C0A1 F05Q 107.7(4) . . ?
F04D C0A1 C07G 110.8(4) . . ?
F03S C0A1 C07G 109.9(4) . . ?
F05Q C0A1 C07G 112.8(4) . . ?
F05A C0AD F03N 108.0(4) . . ?
F05A C0AD F06I 108.6(4) . . ?
F03N C0AD F06I 105.4(4) . . ?
F05A C0AD C083 111.9(4) . . ?
F03N C0AD C083 110.6(4) . . ?
F06I C0AD C083 112.1(4) . . ?
F06X C0AL F06J 108.7(5) . . ?
F06X C0AL F062 107.7(5) . . ?
F06J C0AL F062 105.5(5) . . ?
F06X C0AL C09E 112.2(5) . . ?
F06J C0AL C09E 109.5(5) . . ?
F062 C0AL C09E 113.0(4) . . ?
C1_1 O1_1 Al09 150.6(3) . . ?
O1_1 C1_1 C2_1 108.9(4) . . ?
O1_1 C1_1 C4_1 111.8(4) . . ?
C2_1 C1_1 C4_1 109.2(4) . . ?
O1_1 C1_1 C3_1 109.6(4) . . ?
C2_1 C1_1 C3_1 109.0(4) . . ?
C4_1 C1_1 C3_1 108.3(4) . . ?
F1_1 C2_1 F2_1 107.6(4) . . ?
F1_1 C2_1 F3_1 107.4(4) . . ?
F2_1 C2_1 F3_1 106.6(4) . . ?
F1_1 C2_1 C1_1 111.4(4) . . ?
F2_1 C2_1 C1_1 113.1(4) . . ?
F3_1 C2_1 C1_1 110.5(4) . . ?
C2_1 F2_1 Cs4 127.9(3) . 3_666 ?
F5_1 C3_1 F4_1 108.4(5) . . ?
F5_1 C3_1 F6_1 106.9(4) . . ?
F4_1 C3_1 F6_1 106.7(4) . . ?
F5_1 C3_1 C1_1 110.8(4) . . ?
F4_1 C3_1 C1_1 111.7(4) . . ?
F6_1 C3_1 C1_1 112.1(4) . . ?
C3_1 F6_1 Cs4 151.7(3) . 3_666 ?
F7_1 C4_1 F8_1 108.1(4) . . ?
F7_1 C4_1 F9_1 107.2(4) . . ?
F8_1 C4_1 F9_1 106.8(4) . . ?
F7_1 C4_1 C1_1 111.3(4) . . ?
F8_1 C4_1 C1_1 113.2(4) . . ?
F9_1 C4_1 C1_1 109.9(4) . . ?
C4_1 F9_1 Cs1 161.1(3) . . ?
C1_2 O1_2 Al0C 149.9(4) . . ?
O1_2 C1_2 C4_2 111.2(5) . . ?
O1_2 C1_2 C2_2 106.8(5) . . ?
C4_2 C1_2 C2_2 110.2(5) . . ?
O1_2 C1_2 C3_2 110.4(5) . . ?
C4_2 C1_2 C3_2 109.2(5) . . ?
C2_2 C1_2 C3_2 109.1(5) . . ?
F3_2 C2_2 F1_2 107.2(6) . . ?
F3_2 C2_2 F2_2 107.7(6) . . ?
F1_2 C2_2 F2_2 106.5(6) . . ?
F3_2 C2_2 C1_2 111.6(5) . . ?
F1_2 C2_2 C1_2 110.8(5) . . ?
F2_2 C2_2 C1_2 112.8(6) . . ?
C2_2 F1_2 Cs6 112.1(4) . 2_645 ?
C2_2 F2_2 Cs6 103.7(4) . 2_645 ?
F5_2 C3_2 F6_2 107.8(7) . . ?
F5_2 C3_2 F4_2 107.2(6) . . ?
F6_2 C3_2 F4_2 107.4(6) . . ?
F5_2 C3_2 C1_2 110.0(6) . . ?
F6_2 C3_2 C1_2 112.5(6) . . ?
F4_2 C3_2 C1_2 111.7(5) . . ?
F7_2 C4_2 F9_2 107.0(6) . . ?
F7_2 C4_2 F8_2 108.2(5) . . ?
F9_2 C4_2 F8_2 107.2(6) . . ?
F7_2 C4_2 C1_2 110.4(5) . . ?
F9_2 C4_2 C1_2 111.1(6) . . ?
F8_2 C4_2 C1_2 112.7(5) . . ?
C1_3 O1_3 Al0C 150.3(4) . . ?
O1_3 C1_3 C3_3 112.7(4) . . ?
O1_3 C1_3 C4_3 109.9(4) . . ?
C3_3 C1_3 C4_3 109.4(4) . . ?
O1_3 C1_3 C2_3 107.4(4) . . ?
C3_3 C1_3 C2_3 108.0(4) . . ?
C4_3 C1_3 C2_3 109.4(4) . . ?
F3_3 C2_3 F2_3 108.5(5) . . ?
F3_3 C2_3 F1_3 108.4(4) . . ?
F2_3 C2_3 F1_3 106.4(4) . . ?
F3_3 C2_3 C1_3 111.5(4) . . ?
F2_3 C2_3 C1_3 112.4(4) . . ?
F1_3 C2_3 C1_3 109.5(5) . . ?
C2_3 F1_3 Cs2A 169.2(4) . . ?
C2_3 F2_3 Cs05 145.7(3) . 3_766 ?
F5_3 C3_3 F4_3 109.0(5) . . ?
F5_3 C3_3 F6_3 106.2(5) . . ?
F4_3 C3_3 F6_3 106.1(5) . . ?
F5_3 C3_3 C1_3 110.6(5) . . ?
F4_3 C3_3 C1_3 111.6(5) . . ?
F6_3 C3_3 C1_3 113.1(5) . . ?
C3_3 F6_3 Cs05 145.2(4) . 3_766 ?
F7_3 C4_3 F9_3 109.2(5) . . ?
F7_3 C4_3 F8_3 106.8(5) . . ?
F9_3 C4_3 F8_3 107.0(5) . . ?
F7_3 C4_3 C1_3 110.7(4) . . ?
F9_3 C4_3 C1_3 111.4(5) . . ?
F8_3 C4_3 C1_3 111.5(5) . . ?
C4_3 F8_3 Cs05 138.5(4) . 3_766 ?
C1_4 O1_4 Al0B 149.0(10) . . ?
O1_4 C1_4 C2_4 109.6(7) . . ?
O1_4 C1_4 C4_4 107.8(7) . . ?
C2_4 C1_4 C4_4 108.5(5) . . ?
O1_4 C1_4 C3_4 112.4(7) . . ?
C2_4 C1_4 C3_4 109.0(5) . . ?
C4_4 C1_4 C3_4 109.5(5) . . ?
F1_4 C2_4 F3_4 108.0(6) . . ?
F1_4 C2_4 F2_4 107.2(6) . . ?
F3_4 C2_4 F2_4 106.9(6) . . ?
F1_4 C2_4 C1_4 112.5(5) . . ?
F3_4 C2_4 C1_4 110.3(5) . . ?
F2_4 C2_4 C1_4 111.8(7) . . ?
C2_4 F2_4 Cs3 141.2(6) . 4_665 ?
F6_4 C3_4 F5_4 107.2(7) . . ?
F6_4 C3_4 F4_4 109.2(8) . . ?
F5_4 C3_4 F4_4 107.7(6) . . ?
F6_4 C3_4 C1_4 112.0(7) . . ?
F5_4 C3_4 C1_4 111.0(5) . . ?
F4_4 C3_4 C1_4 109.5(6) . . ?
F9_4 C4_4 F7_4 109.2(6) . . ?
F9_4 C4_4 F8_4 108.5(7) . . ?
F7_4 C4_4 F8_4 107.2(7) . . ?
F9_4 C4_4 C1_4 111.3(5) . . ?
F7_4 C4_4 C1_4 110.3(5) . . ?
F8_4 C4_4 C1_4 110.3(6) . . ?
C4_4 F8_4 Cs3 156.5(7) . 4_665 ?
C2_5 C1_5 H1A_5 109.5 . . ?
C2_5 C1_5 H1B_5 109.5 . . ?
H1A_5 C1_5 H1B_5 109.5 . . ?
C2_5 C1_5 H1C_5 109.5 . . ?
H1A_5 C1_5 H1C_5 109.5 . . ?
H1B_5 C1_5 H1C_5 109.5 . . ?
C7_5 C2_5 C3_5 117.6(8) . . ?
C7_5 C2_5 C1_5 122.1(10) . . ?
C3_5 C2_5 C1_5 120.2(10) . . ?
C7_5 C2_5 Cs3 78.8(5) . . ?
C3_5 C2_5 Cs3 76.8(6) . . ?
C1_5 C2_5 Cs3 114.8(5) . . ?
C4_5 C3_5 C2_5 121.0(9) . . ?
C4_5 C3_5 Cs3 78.0(7) . . ?
C2_5 C3_5 Cs3 80.3(6) . . ?
C4_5 C3_5 H3_5 119.3 . . ?
C2_5 C3_5 H3_5 119.3 . . ?
Cs3 C3_5 H3_5 119.3 . . ?
C3_5 C4_5 C5_5 120.6(9) . . ?
C3_5 C4_5 Cs3 79.2(7) . . ?
C5_5 C4_5 Cs3 77.3(6) . . ?
C3_5 C4_5 H4_5 119.6 . . ?
C5_5 C4_5 H4_5 119.6 . . ?
Cs3 C4_5 H4_5 119.6 . . ?
C6_5 C5_5 C4_5 119.3(9) . . ?
C6_5 C5_5 Cs3 80.7(6) . . ?
C4_5 C5_5 Cs3 79.7(6) . . ?
C6_5 C5_5 H5_5 119.8 . . ?
C4_5 C5_5 H5_5 119.8 . . ?
Cs3 C5_5 H5_5 119.8 . . ?
C5_5 C6_5 C7_5 119.8(8) . . ?
C5_5 C6_5 Cs3 76.5(6) . . ?
C7_5 C6_5 Cs3 80.2(5) . . ?
C5_5 C6_5 H6_5 119.9 . . ?
C7_5 C6_5 H6_5 119.9 . . ?
Cs3 C6_5 H6_5 119.9 . . ?
C2_5 C7_5 C6_5 121.7(8) . . ?
C2_5 C7_5 Cs3 78.7(5) . . ?
C6_5 C7_5 Cs3 77.1(5) . . ?
C2_5 C7_5 H7_5 119.1 . . ?
C6_5 C7_5 H7_5 119.1 . . ?
Cs3 C7_5 H7_5 119.1 . . ?
C2_6 C1_6 H1A_6 109.5 . . ?
C2_6 C1_6 H1B_6 109.5 . . ?
H1A_6 C1_6 H1B_6 109.5 . . ?
C2_6 C1_6 H1C_6 109.5 . . ?
H1A_6 C1_6 H1C_6 109.5 . . ?
H1B_6 C1_6 H1C_6 109.5 . . ?
C7_6 C2_6 C3_6 117.3(6) . . ?
C7_6 C2_6 C1_6 120.0(7) . . ?
C3_6 C2_6 C1_6 122.6(7) . . ?
C7_6 C2_6 Cs6 77.2(4) . . ?
C3_6 C2_6 Cs6 75.5(4) . . ?
C1_6 C2_6 Cs6 117.8(4) . . ?
C4_6 C3_6 C2_6 122.0(6) . . ?
C4_6 C3_6 Cs6 74.9(4) . . ?
C2_6 C3_6 Cs6 82.2(4) . . ?
C4_6 C3_6 H3_6 118.9 . . ?
C2_6 C3_6 H3_6 118.9 . . ?
Cs6 C3_6 H3_6 118.9 . . ?
C3_6 C4_6 C5_6 119.5(6) . . ?
C3_6 C4_6 Cs6 82.4(5) . . ?
C5_6 C4_6 Cs6 76.6(4) . . ?
C3_6 C4_6 H4_6 119.9 . . ?
C5_6 C4_6 H4_6 119.9 . . ?
Cs6 C4_6 H4_6 119.9 . . ?
C6_6 C5_6 C4_6 119.0(6) . . ?
C6_6 C5_6 Cs6 81.8(4) . . ?
C4_6 C5_6 Cs6 80.0(4) . . ?
C6_6 C5_6 H5_6 119.8 . . ?
C4_6 C5_6 H5_6 119.8 . . ?
Cs6 C5_6 H5_6 119.8 . . ?
C7_6 C6_6 C5_6 120.8(6) . . ?
C7_6 C6_6 Cs6 82.6(4) . . ?
C5_6 C6_6 Cs6 75.2(4) . . ?
C7_6 C6_6 H6_6 119.4 . . ?
C5_6 C6_6 H6_6 119.4 . . ?
Cs6 C6_6 H6_6 119.4 . . ?
C6_6 C7_6 C2_6 121.4(6) . . ?
C6_6 C7_6 Cs6 75.0(4) . . ?
C2_6 C7_6 Cs6 80.6(4) . . ?
C6_6 C7_6 H7_6 119.2 . . ?
C2_6 C7_6 H7_6 119.2 . . ?
Cs6 C7_6 H7_6 119.2 . . ?
C2_7 C1_7 H1A_7 109.5 . . ?
C2_7 C1_7 H1B_7 109.5 . . ?
H1A_7 C1_7 H1B_7 109.5 . . ?
C2_7 C1_7 H1C_7 109.5 . . ?
H1A_7 C1_7 H1C_7 109.5 . . ?
H1B_7 C1_7 H1C_7 109.5 . . ?
C7_7 C2_7 C3_7 117.1(4) . . ?
C7_7 C2_7 C1_7 122.1(5) . . ?
C3_7 C2_7 C1_7 120.8(5) . . ?
C7_7 C2_7 Cs05 77.6(2) . . ?
C3_7 C2_7 Cs05 76.5(2) . . ?
C1_7 C2_7 Cs05 116.3(3) . . ?
C4_7 C3_7 C2_7 120.2(4) . . ?
C4_7 C3_7 Cs05 76.3(3) . . ?
C2_7 C3_7 Cs05 80.5(2) . . ?
C4_7 C3_7 H3_7 119.7 . . ?
C2_7 C3_7 H3_7 119.7 . . ?
Cs05 C3_7 H3_7 119.7 . . ?
C5_7 C4_7 C3_7 121.0(4) . . ?
C5_7 C4_7 Cs05 78.3(3) . . ?
C3_7 C4_7 Cs05 80.6(3) . . ?
C5_7 C4_7 H4_7 119.2 . . ?
C3_7 C4_7 H4_7 119.2 . . ?
Cs05 C4_7 H4_7 119.2 . . ?
C4_7 C5_7 C6_7 119.1(5) . . ?
C4_7 C5_7 Cs05 78.8(3) . . ?
C6_7 C5_7 Cs05 79.8(3) . . ?
C4_7 C5_7 H5_7 120.1 . . ?
C6_7 C5_7 H5_7 120.1 . . ?
Cs05 C5_7 H5_7 120.1 . . ?
C7_7 C6_7 C5_7 121.1(5) . . ?
C7_7 C6_7 Cs05 81.0(3) . . ?
C5_7 C6_7 Cs05 77.3(3) . . ?
C7_7 C6_7 H6_7 119.2 . . ?
C5_7 C6_7 H6_7 119.2 . . ?
Cs05 C6_7 H6_7 119.2 . . ?
C6_7 C7_7 C2_7 121.5(4) . . ?
C6_7 C7_7 Cs05 76.6(3) . . ?
C2_7 C7_7 Cs05 79.6(3) . . ?
C6_7 C7_7 H7_7 119.1 . . ?
C2_7 C7_7 H7_7 119.1 . . ?
Cs05 C7_7 H7_7 119.1 . . ?
C2_8 C1_8 H1A_8 109.5 . . ?
C2_8 C1_8 H1B_8 109.5 . . ?
H1A_8 C1_8 H1B_8 109.5 . . ?
C2_8 C1_8 H1C_8 109.5 . . ?
H1A_8 C1_8 H1C_8 109.5 . . ?
H1B_8 C1_8 H1C_8 109.5 . . ?
C3_8 C2_8 C7_8 117.6(6) . . ?
C3_8 C2_8 C1_8 119.2(7) . . ?
C7_8 C2_8 C1_8 123.2(7) . . ?
C3_8 C2_8 Cs4 76.9(4) . . ?
C7_8 C2_8 Cs4 78.6(4) . . ?
C1_8 C2_8 Cs4 114.9(4) . . ?
C4_8 C3_8 C2_8 120.7(7) . . ?
C4_8 C3_8 Cs4 76.8(4) . . ?
C2_8 C3_8 Cs4 80.7(4) . . ?
C4_8 C3_8 H3_8 119.4 . . ?
C2_8 C3_8 H3_8 119.4 . . ?
Cs4 C3_8 H3_8 119.4 . . ?
C3_8 C4_8 C5_8 120.9(6) . . ?
C3_8 C4_8 Cs4 80.7(4) . . ?
C5_8 C4_8 Cs4 78.6(4) . . ?
C3_8 C4_8 H4_8 119.3 . . ?
C5_8 C4_8 H4_8 119.3 . . ?
Cs4 C4_8 H4_8 119.3 . . ?
C6_8 C5_8 C4_8 119.4(6) . . ?
C6_8 C5_8 Cs4 81.1(4) . . ?
C4_8 C5_8 Cs4 78.6(4) . . ?
C6_8 C5_8 H5_8 119.9 . . ?
C4_8 C5_8 H5_8 119.9 . . ?
Cs4 C5_8 H5_8 119.9 . . ?
C5_8 C6_8 C7_8 119.8(6) . . ?
C5_8 C6_8 Cs4 76.5(4) . . ?
C7_8 C6_8 Cs4 80.4(4) . . ?
C5_8 C6_8 H6_8 119.9 . . ?
C7_8 C6_8 H6_8 119.9 . . ?
Cs4 C6_8 H6_8 119.9 . . ?
C6_8 C7_8 C2_8 121.6(6) . . ?
C6_8 C7_8 Cs4 77.3(4) . . ?
C2_8 C7_8 Cs4 79.0(4) . . ?
C6_8 C7_8 H7_8 119.1 . . ?
C2_8 C7_8 H7_8 119.1 . . ?
Cs4 C7_8 H7_8 119.1 . . ?
C2_9 C1_9 H1A_9 109.5 . . ?
C2_9 C1_9 H1B_9 109.5 . . ?
H1A_9 C1_9 H1B_9 109.5 . . ?
C2_9 C1_9 H1C_9 109.5 . . ?
H1A_9 C1_9 H1C_9 109.5 . . ?
H1B_9 C1_9 H1C_9 109.5 . . ?
C7_9 C2_9 C3_9 117.8(4) . . ?
C7_9 C2_9 C1_9 120.7(5) . . ?
C3_9 C2_9 C1_9 121.5(4) . . ?
C7_9 C2_9 Cs1 75.6(2) . . ?
C3_9 C2_9 Cs1 76.4(3) . . ?
C1_9 C2_9 Cs1 118.6(3) . . ?
C7_9 C2_9 Cs1A 76.4(2) . . ?
C3_9 C2_9 Cs1A 78.6(3) . . ?
C1_9 C2_9 Cs1A 115.4(3) . . ?
C4_9 C3_9 C2_9 121.4(4) . . ?
C4_9 C3_9 Cs1 74.3(3) . . ?
C2_9 C3_9 Cs1 80.6(3) . . ?
C4_9 C3_9 Cs1A 76.9(3) . . ?
C2_9 C3_9 Cs1A 79.6(3) . . ?
C4_9 C3_9 H3_9 119.3 . . ?
C2_9 C3_9 H3_9 119.3 . . ?
Cs1 C3_9 H3_9 119.3 . . ?
C3_9 C4_9 C5_9 120.2(4) . . ?
C3_9 C4_9 Cs1 82.5(3) . . ?
C5_9 C4_9 Cs1 75.8(3) . . ?
C3_9 C4_9 Cs1A 81.3(3) . . ?
C5_9 C4_9 Cs1A 77.1(3) . . ?
C3_9 C4_9 H4_9 119.6 . . ?
C5_9 C4_9 H4_9 119.6 . . ?
Cs1 C4_9 H4_9 119.6 . . ?
C6_9 C5_9 C4_9 119.0(4) . . ?
C6_9 C5_9 Cs1 79.3(3) . . ?
C4_9 C5_9 Cs1 80.2(3) . . ?
C6_9 C5_9 Cs1A 78.5(3) . . ?
C4_9 C5_9 Cs1A 80.7(3) . . ?
C6_9 C5_9 H5_9 120.0 . . ?
C4_9 C5_9 H5_9 120.0 . . ?
Cs1 C5_9 H5_9 120.0 . . ?
C7_9 C6_9 C5_9 120.7(4) . . ?
C7_9 C6_9 Cs1 82.4(3) . . ?
C5_9 C6_9 Cs1 76.7(3) . . ?
C7_9 C6_9 Cs1A 81.2(3) . . ?
C5_9 C6_9 Cs1A 79.2(3) . . ?
C7_9 C6_9 H6_9 119.3 . . ?
C5_9 C6_9 H6_9 119.3 . . ?
Cs1 C6_9 H6_9 119.3 . . ?
C6_9 C7_9 C2_9 121.0(4) . . ?
C6_9 C7_9 Cs1 74.2(2) . . ?
C2_9 C7_9 Cs1 81.5(2) . . ?
C6_9 C7_9 Cs1A 76.7(3) . . ?
C2_9 C7_9 Cs1A 81.7(2) . . ?
C6_9 C7_9 H7_9 119.4 . . ?
C2_9 C7_9 H7_9 119.4 . . ?
Cs1 C7_9 H7_9 119.4 . . ?
C2_10 C1_10 H1A_10 109.5 . . ?
C2_10 C1_10 H1B_10 109.5 . . ?
H1A_10 C1_10 H1B_10 109.5 . . ?
C2_10 C1_10 H1C_10 109.5 . . ?
H1A_10 C1_10 H1C_10 109.5 . . ?
H1B_10 C1_10 H1C_10 109.5 . . ?
C3_10 C2_10 C7_10 118.1(4) . . ?
C3_10 C2_10 C1_10 121.0(5) . . ?
C7_10 C2_10 C1_10 120.8(5) . . ?
C3_10 C2_10 Cs2 76.8(3) . . ?
C7_10 C2_10 Cs2 78.3(2) . . ?
C1_10 C2_10 Cs2 116.0(3) . . ?
C3_10 C2_10 Cs2A 77.8(3) . . ?
C7_10 C2_10 Cs2A 74.9(2) . . ?
C1_10 C2_10 Cs2A 118.5(3) . . ?
C2_10 C3_10 C4_10 121.3(4) . . ?
C2_10 C3_10 Cs2 80.7(3) . . ?
C4_10 C3_10 Cs2 77.1(3) . . ?
C2_10 C3_10 Cs2A 80.5(3) . . ?
C4_10 C3_10 Cs2A 74.5(3) . . ?
C2_10 C3_10 H3_10 119.2 . . ?
C4_10 C3_10 H3_10 119.2 . . ?
Cs2 C3_10 H3_10 119.2 . . ?
C5_10 C4_10 C3_10 120.1(4) . . ?
C5_10 C4_10 Cs2 78.0(3) . . ?
C3_10 C4_10 Cs2 80.0(3) . . ?
C5_10 C4_10 Cs2A 74.2(3) . . ?
C3_10 C4_10 Cs2A 83.4(3) . . ?
C5_10 C4_10 H4_10 119.7 . . ?
C3_10 C4_10 H4_10 119.7 . . ?
Cs2 C4_10 H4_10 119.7 . . ?
C4_10 C5_10 C6_10 119.3(4) . . ?
C4_10 C5_10 Cs2A 83.1(3) . . ?
C6_10 C5_10 Cs2A 79.5(3) . . ?
C4_10 C5_10 Cs2 79.1(3) . . ?
C6_10 C5_10 Cs2 80.2(3) . . ?
C4_10 C5_10 H5_10 119.9 . . ?
C6_10 C5_10 H5_10 119.9 . . ?
Cs2 C5_10 H5_10 119.9 . . ?
C7_10 C6_10 C5_10 120.4(4) . . ?
C7_10 C6_10 Cs2A 83.8(3) . . ?
C5_10 C6_10 Cs2A 77.3(3) . . ?
C7_10 C6_10 Cs2 80.7(3) . . ?
C5_10 C6_10 Cs2 76.8(3) . . ?
C7_10 C6_10 H6_10 119.6 . . ?
C5_10 C6_10 H6_10 119.6 . . ?
Cs2 C6_10 H6_10 119.6 . . ?
C6_10 C7_10 C2_10 120.8(4) . . ?
C6_10 C7_10 Cs2 76.8(3) . . ?
C2_10 C7_10 Cs2 79.0(2) . . ?
C6_10 C7_10 Cs2A 73.7(3) . . ?
C2_10 C7_10 Cs2A 83.0(3) . . ?
C6_10 C7_10 H7_10 119.5 . . ?
C2_10 C7_10 H7_10 119.5 . . ?
Cs2 C7_10 H7_10 119.5 . . ?
C1_11 O1_11 Al0B 152(2) . . ?
O1_11 C1_11 C4_11 110.7(14) . . ?
O1_11 C1_11 C2_11 108.3(13) . . ?
C4_11 C1_11 C2_11 109.0(9) . . ?
O1_11 C1_11 C3_11 110.0(14) . . ?
C4_11 C1_11 C3_11 109.8(9) . . ?
C2_11 C1_11 C3_11 109.0(9) . . ?
F3_11 C2_11 F1_11 109.0(11) . . ?
F3_11 C2_11 F2_11 106.4(12) . . ?
F1_11 C2_11 F2_11 107.1(11) . . ?
F3_11 C2_11 C1_11 109.6(9) . . ?
F1_11 C2_11 C1_11 109.7(9) . . ?
F2_11 C2_11 C1_11 114.9(13) . . ?
C2_11 F2_11 Cs3A 138.6(12) . 4_665 ?
F5_11 C3_11 F4_11 108.0(11) . . ?
F5_11 C3_11 F6_11 105.9(13) . . ?
F4_11 C3_11 F6_11 109.1(13) . . ?
F5_11 C3_11 C1_11 110.6(10) . . ?
F4_11 C3_11 C1_11 110.2(10) . . ?
F6_11 C3_11 C1_11 112.9(13) . . ?
C3_11 F6_11 Cs3A 161.2(15) . 4_665 ?
F7_11 C4_11 F8_11 105.1(12) . . ?
F7_11 C4_11 F9_11 110.5(11) . . ?
F8_11 C4_11 F9_11 106.5(11) . . ?
F7_11 C4_11 C1_11 108.8(11) . . ?
F8_11 C4_11 C1_11 114.7(11) . . ?
F9_11 C4_11 C1_11 111.1(9) . . ?
C1_12 O1_12 Al0C 148.7(10) . . ?
O1_12 C1_12 C3_12 112.2(10) . . ?
O1_12 C1_12 C4_12 109.7(10) . . ?
C3_12 C1_12 C4_12 107.7(9) . . ?
O1_12 C1_12 C2_12 109.7(9) . . ?
C3_12 C1_12 C2_12 108.4(9) . . ?
C4_12 C1_12 C2_12 109.1(9) . . ?
F3_12 C2_12 F1_12 109.2(12) . . ?
F3_12 C2_12 F2_12 106.4(11) . . ?
F1_12 C2_12 F2_12 112.2(11) . . ?
F3_12 C2_12 C1_12 109.2(10) . . ?
F1_12 C2_12 C1_12 108.1(10) . . ?
F2_12 C2_12 C1_12 111.6(10) . . ?
C2_12 F2_12 Cs05 134.6(9) . 3_766 ?
F4_12 C3_12 F5_12 109.7(13) . . ?
F4_12 C3_12 F6_12 105.9(11) . . ?
F5_12 C3_12 F6_12 111.6(13) . . ?
F4_12 C3_12 C1_12 108.5(10) . . ?
F5_12 C3_12 C1_12 108.3(12) . . ?
F6_12 C3_12 C1_12 112.8(11) . . ?
C3_12 F5_12 Cs2 157.5(13) . . ?
C3_12 F6_12 Cs05 129.9(9) . 3_766 ?
F7_12 C4_12 F9_12 111.9(13) . . ?
F7_12 C4_12 F8_12 111.0(13) . . ?
F9_12 C4_12 F8_12 106.0(14) . . ?
F7_12 C4_12 C1_12 109.2(12) . . ?
F9_12 C4_12 C1_12 107.6(12) . . ?
F8_12 C4_12 C1_12 111.1(13) . . ?
C4_12 F8_12 Cs05 151.6(15) . 3_766 ?
C1_13 O1_13 Al08 148.4(3) . . ?
O1_13 C1_13 C2_13 109.4(3) . . ?
O1_13 C1_13 C3_13 112.7(3) . . ?
C2_13 C1_13 C3_13 109.0(3) . . ?
O1_13 C1_13 C4_13 108.2(3) . . ?
C2_13 C1_13 C4_13 108.5(3) . . ?
C3_13 C1_13 C4_13 109.0(3) . . ?
F3_13 C2_13 F2_13 107.7(4) . . ?
F3_13 C2_13 F1_13 107.3(4) . . ?
F2_13 C2_13 F1_13 107.7(4) . . ?
F3_13 C2_13 C1_13 110.8(4) . . ?
F2_13 C2_13 C1_13 112.7(3) . . ?
F1_13 C2_13 C1_13 110.5(3) . . ?
C2_13 F1_13 Cs05 160.6(3) . . ?
F6_13 C3_13 F4_13 108.1(4) . . ?
F6_13 C3_13 F5_13 107.8(4) . . ?
F4_13 C3_13 F5_13 107.3(4) . . ?
F6_13 C3_13 C1_13 113.0(4) . . ?
F4_13 C3_13 C1_13 110.3(4) . . ?
F5_13 C3_13 C1_13 110.1(3) . . ?
F7_13 C4_13 F9_13 106.9(4) . . ?
F7_13 C4_13 F8_13 108.2(4) . . ?
F9_13 C4_13 F8_13 107.6(4) . . ?
F7_13 C4_13 C1_13 110.8(4) . . ?
F9_13 C4_13 C1_13 110.6(3) . . ?
F8_13 C4_13 C1_13 112.5(4) . . ?
C4_13 F9_13 Cs05 136.2(3) . . ?
C1_14 O1_14 Al08 150(5) . . ?
O1_14 C1_14 C4_14 111.1(15) . . ?
O1_14 C1_14 C2_14 110.5(15) . . ?
C4_14 C1_14 C2_14 108.9(14) . . ?
O1_14 C1_14 C3_14 110.9(16) . . ?
C4_14 C1_14 C3_14 108.5(14) . . ?
C2_14 C1_14 C3_14 106.8(13) . . ?
F1_14 C2_14 F3_14 108.2(17) . . ?
F1_14 C2_14 F2_14 108.8(17) . . ?
F3_14 C2_14 F2_14 107.4(17) . . ?
F1_14 C2_14 C1_14 111.1(19) . . ?
F3_14 C2_14 C1_14 109.4(19) . . ?
F2_14 C2_14 C1_14 111.7(19) . . ?
F1_14 C2_14 Cs05 95(3) . . ?
F3_14 C2_14 Cs05 38(3) . . ?
F2_14 C2_14 Cs05 79(3) . . ?
C1_14 C2_14 Cs05 146(2) . . ?
C2_14 F1_14 Cs05 65(3) . . ?
C2_14 F2_14 Cs05 79(3) . . ?
C2_14 F3_14 Cs05 122(4) . . ?
F4_14 C3_14 F5_14 108.7(17) . . ?
F4_14 C3_14 F6_14 108.2(17) . . ?
F5_14 C3_14 F6_14 107.8(17) . . ?
F4_14 C3_14 C1_14 111.1(19) . . ?
F5_14 C3_14 C1_14 111(2) . . ?
F6_14 C3_14 C1_14 110.4(18) . . ?
F7_14 C4_14 F9_14 108.2(17) . . ?
F7_14 C4_14 F8_14 107.6(17) . . ?
F9_14 C4_14 F8_14 107.1(17) . . ?
F7_14 C4_14 C1_14 111.1(19) . . ?
F9_14 C4_14 C1_14 110.3(19) . . ?
F8_14 C4_14 C1_14 112.4(19) . . ?
C1_15 O1_15 Al09 152.9(14) . . ?
O1_15 C1_15 C4_15 111.2(11) . . ?
O1_15 C1_15 C2_15 111.3(11) . . ?
C4_15 C1_15 C2_15 108.5(9) . . ?
O1_15 C1_15 C3_15 110.0(11) . . ?
C4_15 C1_15 C3_15 107.6(10) . . ?
C2_15 C1_15 C3_15 108.1(10) . . ?
F1_15 C2_15 F2_15 109.3(12) . . ?
F1_15 C2_15 F3_15 107.9(12) . . ?
F2_15 C2_15 F3_15 110.9(13) . . ?
F1_15 C2_15 C1_15 108.3(12) . . ?
F2_15 C2_15 C1_15 111.9(12) . . ?
F3_15 C2_15 C1_15 108.5(11) . . ?
C2_15 F2_15 Cs4A 134.6(11) . 3_666 ?
F5_15 C3_15 F4_15 110.4(15) . . ?
F5_15 C3_15 F6_15 107.6(14) . . ?
F4_15 C3_15 F6_15 107.7(13) . . ?
F5_15 C3_15 C1_15 107.9(15) . . ?
F4_15 C3_15 C1_15 110.4(14) . . ?
F6_15 C3_15 C1_15 112.9(13) . . ?
C3_15 F6_15 Cs4A 145.9(14) . 3_666 ?
F7_15 C4_15 F9_15 110.8(13) . . ?
F7_15 C4_15 F8_15 107.3(12) . . ?
F9_15 C4_15 F8_15 108.9(13) . . ?
F7_15 C4_15 C1_15 110.0(11) . . ?
F9_15 C4_15 C1_15 108.7(12) . . ?
F8_15 C4_15 C1_15 111.1(11) . . ?
C4_15 F8_15 Cs4A 147.7(11) . 3_666 ?
C4_15 F9_15 Cs1A 162.3(14) . . ?
C2_16 C1_16 H1A_16 109.5 . . ?
C2_16 C1_16 H1B_16 109.5 . . ?
H1A_16 C1_16 H1B_16 109.5 . . ?
C2_16 C1_16 H1C_16 109.5 . . ?
H1A_16 C1_16 H1C_16 109.5 . . ?
H1B_16 C1_16 H1C_16 109.5 . . ?
C7_16 C2_16 C3_16 118.2(9) . . ?
C7_16 C2_16 C1_16 118.7(10) . . ?
C3_16 C2_16 C1_16 123.0(10) . . ?
C7_16 C2_16 Cs3A 76.1(6) . . ?
C3_16 C2_16 Cs3A 77.5(6) . . ?
C1_16 C2_16 Cs3A 115.8(5) . . ?
C4_16 C3_16 C2_16 121.1(9) . . ?
C4_16 C3_16 Cs3A 75.6(7) . . ?
C2_16 C3_16 Cs3A 80.1(6) . . ?
C4_16 C3_16 H3_16 119.4 . . ?
C2_16 C3_16 H3_16 119.4 . . ?
Cs3A C3_16 H3_16 119.4 . . ?
C5_16 C4_16 C3_16 120.5(8) . . ?
C5_16 C4_16 Cs3A 77.2(6) . . ?
C3_16 C4_16 Cs3A 81.8(7) . . ?
C5_16 C4_16 H4_16 119.4 . . ?
C3_16 C4_16 H4_16 119.4 . . ?
Cs3A C4_16 H4_16 119.4 . . ?
C6_16 C5_16 C4_16 118.0(8) . . ?
C6_16 C5_16 Cs3A 79.5(6) . . ?
C4_16 C5_16 Cs3A 79.7(6) . . ?
C6_16 C5_16 H5_16 120.5 . . ?
C4_16 C5_16 H5_16 120.5 . . ?
Cs3A C5_16 H5_16 120.5 . . ?
C7_16 C6_16 C5_16 122.1(9) . . ?
C7_16 C6_16 Cs3A 80.7(6) . . ?
C5_16 C6_16 Cs3A 77.5(5) . . ?
C7_16 C6_16 H6_16 118.8 . . ?
C5_16 C6_16 H6_16 118.8 . . ?
Cs3A C6_16 H6_16 118.8 . . ?
C6_16 C7_16 C2_16 120.1(9) . . ?
C6_16 C7_16 Cs3A 76.6(6) . . ?
C2_16 C7_16 Cs3A 81.4(6) . . ?
C6_16 C7_16 H7_16 119.7 . . ?
C2_16 C7_16 H7_16 119.7 . . ?
Cs3A C7_16 H7_16 119.7 . . ?
C1_17 O1_17 Al08 145.3(5) . . ?
O1_17 C1_17 C4_17 109.5(5) . . ?
O1_17 C1_17 C3_17 107.3(5) . . ?
C4_17 C1_17 C3_17 108.8(4) . . ?
O1_17 C1_17 C2_17 113.8(4) . . ?
C4_17 C1_17 C2_17 108.5(4) . . ?
C3_17 C1_17 C2_17 108.9(4) . . ?
F1_17 C2_17 F3_17 107.7(5) . . ?
F1_17 C2_17 F2_17 107.2(6) . . ?
F3_17 C2_17 F2_17 107.8(6) . . ?
F1_17 C2_17 C1_17 110.9(5) . . ?
F3_17 C2_17 C1_17 109.7(5) . . ?
F2_17 C2_17 C1_17 113.3(6) . . ?
C2_17 F2_17 Cs4 143.9(6) . . ?
F4_17 C3_17 F5_17 108.5(5) . . ?
F4_17 C3_17 F6_17 105.8(5) . . ?
F5_17 C3_17 F6_17 105.9(5) . . ?
F4_17 C3_17 C1_17 111.6(5) . . ?
F5_17 C3_17 C1_17 111.0(4) . . ?
F6_17 C3_17 C1_17 113.6(5) . . ?
C3_17 F6_17 Cs4 144.1(6) . . ?
F9_17 C4_17 F8_17 109.8(6) . . ?
F9_17 C4_17 F7_17 107.5(5) . . ?
F8_17 C4_17 F7_17 107.0(5) . . ?
F9_17 C4_17 C1_17 109.9(5) . . ?
F8_17 C4_17 C1_17 111.8(5) . . ?
F7_17 C4_17 C1_17 110.7(4) . . ?
C4_17 F8_17 Cs4 139.9(5) . . ?
C1_18 O1_18 Al08 158(2) . . ?
O1_18 C1_18 C4_18 112.9(12) . . ?
O1_18 C1_18 C2_18 108.0(13) . . ?
C4_18 C1_18 C2_18 109.1(9) . . ?
O1_18 C1_18 C3_18 110.1(13) . . ?
C4_18 C1_18 C3_18 107.7(9) . . ?
C2_18 C1_18 C3_18 109.0(9) . . ?
F3_18 C2_18 F1_18 109.4(14) . . ?
F3_18 C2_18 F2_18 108.5(12) . . ?
F1_18 C2_18 F2_18 106.5(14) . . ?
F3_18 C2_18 C1_18 109.3(10) . . ?
F1_18 C2_18 C1_18 110.0(15) . . ?
F2_18 C2_18 C1_18 113.2(13) . . ?
F5_18 C3_18 F4_18 110.1(12) . . ?
F5_18 C3_18 F6_18 106.8(14) . . ?
F4_18 C3_18 F6_18 106.5(13) . . ?
F5_18 C3_18 C1_18 109.5(13) . . ?
F4_18 C3_18 C1_18 110.1(10) . . ?
F6_18 C3_18 C1_18 113.7(13) . . ?
C3_18 F6_18 Cs4A 146.3(17) . . ?
F9_18 C4_18 F7_18 110.1(12) . . ?
F9_18 C4_18 F8_18 105.5(13) . . ?
F7_18 C4_18 F8_18 109.2(14) . . ?
F9_18 C4_18 C1_18 111.9(10) . . ?
F7_18 C4_18 C1_18 108.7(12) . . ?
F8_18 C4_18 C1_18 111.3(13) . . ?
C4_18 F8_18 Cs4A 153.6(15) . . ?
C1_19 O1_19 Al09 147.7(4) . . ?
O1_19 C1_19 C4_19 114.4(5) . . ?
O1_19 C1_19 C2_19 106.4(5) . . ?
C4_19 C1_19 C2_19 107.9(5) . . ?
O1_19 C1_19 C3_19 111.0(5) . . ?
C4_19 C1_19 C3_19 108.2(5) . . ?
C2_19 C1_19 C3_19 108.7(5) . . ?
F1_19 C2_19 F3_19 109.0(6) . . ?
F1_19 C2_19 F2_19 107.1(5) . . ?
F3_19 C2_19 F2_19 106.0(7) . . ?
F1_19 C2_19 C1_19 110.9(5) . . ?
F3_19 C2_19 C1_19 110.9(6) . . ?
F2_19 C2_19 C1_19 112.7(5) . . ?
C2_19 F2_19 Cs2 143.8(4) . 1_455 ?
F4_19 C3_19 F6_19 109.8(6) . . ?
F4_19 C3_19 F5_19 106.4(6) . . ?
F6_19 C3_19 F5_19 107.7(5) . . ?
F4_19 C3_19 C1_19 110.1(6) . . ?
F6_19 C3_19 C1_19 111.9(5) . . ?
F5_19 C3_19 C1_19 110.7(5) . . ?
C3_19 F6_19 Cs2 140.4(4) . 1_455 ?
F8_19 C4_19 F9_19 107.4(6) . . ?
F8_19 C4_19 F7_19 104.9(5) . . ?
F9_19 C4_19 F7_19 108.5(5) . . ?
F8_19 C4_19 C1_19 115.1(5) . . ?
F9_19 C4_19 C1_19 109.8(5) . . ?
F7_19 C4_19 C1_19 110.9(5) . . ?
C4_19 F8_19 Cs2 145.2(5) . 1_455 ?
C1_20 O1_20 Al09 161.8(13) . . ?
O1_20 C1_20 C2_20 120.1(10) . . ?
O1_20 C1_20 C4_20 109.7(10) . . ?
C2_20 C1_20 C4_20 107.1(9) . . ?
O1_20 C1_20 C3_20 101.0(9) . . ?
C2_20 C1_20 C3_20 109.4(9) . . ?
C4_20 C1_20 C3_20 109.1(9) . . ?
F3_20 C2_20 F1_20 110.0(13) . . ?
F3_20 C2_20 F2_20 104.3(12) . . ?
F1_20 C2_20 F2_20 108.2(14) . . ?
F3_20 C2_20 C1_20 112.1(11) . . ?
F1_20 C2_20 C1_20 111.5(15) . . ?
F2_20 C2_20 C1_20 110.4(10) . . ?
C2_20 F2_20 Cs2A 155.7(10) . 1_455 ?
F6_20 C3_20 F4_20 109.6(11) . . ?
F6_20 C3_20 F5_20 107.5(14) . . ?
F4_20 C3_20 F5_20 108.6(13) . . ?
F6_20 C3_20 C1_20 115.3(11) . . ?
F4_20 C3_20 C1_20 108.0(9) . . ?
F5_20 C3_20 C1_20 107.6(14) . . ?
F7_20 C4_20 F8_20 113.0(14) . . ?
F7_20 C4_20 F9_20 108.1(12) . . ?
F8_20 C4_20 F9_20 102.3(12) . . ?
F7_20 C4_20 C1_20 110.7(13) . . ?
F8_20 C4_20 C1_20 110.7(13) . . ?
F9_20 C4_20 C1_20 111.8(10) . . ?
C4_20 F8_20 Cs2A 154.4(13) . 1_455 ?
C2_21 C1_21 H1A_21 109.5 . . ?
C2_21 C1_21 H1B_21 109.5 . . ?
H1A_21 C1_21 H1B_21 109.5 . . ?
C2_21 C1_21 H1C_21 109.5 . . ?
H1A_21 C1_21 H1C_21 109.5 . . ?
H1B_21 C1_21 H1C_21 109.5 . . ?
C3_21 C2_21 C7_21 119.0(11) . . ?
C3_21 C2_21 C1_21 123.2(15) . . ?
C7_21 C2_21 C1_21 117.8(15) . . ?
C3_21 C2_21 Cs4A 75.8(9) . . ?
C7_21 C2_21 Cs4A 72.9(12) . . ?
C1_21 C2_21 Cs4A 121.4(7) . . ?
C2_21 C3_21 C4_21 120.3(11) . . ?
C2_21 C3_21 Cs4A 82.8(9) . . ?
C4_21 C3_21 Cs4A 69.3(11) . . ?
C2_21 C3_21 H3_21 119.8 . . ?
C4_21 C3_21 H3_21 119.8 . . ?
Cs4A C3_21 H3_21 119.8 . . ?
C5_21 C4_21 C3_21 119.7(12) . . ?
C5_21 C4_21 Cs4A 72.0(13) . . ?
C3_21 C4_21 Cs4A 88.5(11) . . ?
C5_21 C4_21 H4_21 119.6 . . ?
C3_21 C4_21 H4_21 119.6 . . ?
Cs4A C4_21 H4_21 119.6 . . ?
C4_21 C5_21 C6_21 120.5(13) . . ?
C4_21 C5_21 Cs4A 84.8(13) . . ?
C6_21 C5_21 Cs4A 83.2(14) . . ?
C4_21 C5_21 H5_21 118.4 . . ?
C6_21 C5_21 H5_21 118.4 . . ?
Cs4A C5_21 H5_21 118.4 . . ?
C5_21 C6_21 C7_21 120.2(13) . . ?
C5_21 C6_21 Cs4A 73.3(13) . . ?
C7_21 C6_21 Cs4A 87.0(14) . . ?
C5_21 C6_21 H6_21 119.4 . . ?
C7_21 C6_21 H6_21 119.4 . . ?
Cs4A C6_21 H6_21 119.4 . . ?
C6_21 C7_21 C2_21 120.0(13) . . ?
C6_21 C7_21 Cs4A 70.6(13) . . ?
C2_21 C7_21 Cs4A 85.6(12) . . ?
C6_21 C7_21 H7_21 119.8 . . ?
C2_21 C7_21 H7_21 119.8 . . ?
Cs4A C7_21 H7_21 119.8 . . ?
C1_22 O1_22 Al0C 147.6(7) . . ?
O1_22 C1_22 C4_22 110.7(5) . . ?
O1_22 C1_22 C3_22 107.9(5) . . ?
C4_22 C1_22 C3_22 108.8(4) . . ?
O1_22 C1_22 C2_22 111.2(5) . . ?
C4_22 C1_22 C2_22 108.9(4) . . ?
C3_22 C1_22 C2_22 109.3(4) . . ?
F3_22 C2_22 F1_22 107.9(5) . . ?
F3_22 C2_22 F2_22 107.8(5) . . ?
F1_22 C2_22 F2_22 107.5(5) . . ?
F3_22 C2_22 C1_22 110.1(5) . . ?
F1_22 C2_22 C1_22 111.3(5) . . ?
F2_22 C2_22 C1_22 112.2(5) . . ?
F4_22 C3_22 F5_22 107.0(5) . . ?
F4_22 C3_22 F6_22 107.6(6) . . ?
F5_22 C3_22 F6_22 107.3(5) . . ?
F4_22 C3_22 C1_22 112.1(5) . . ?
F5_22 C3_22 C1_22 111.1(5) . . ?
F6_22 C3_22 C1_22 111.5(5) . . ?
C3_22 F6_22 Cs1 157.4(4) . . ?
F9_22 C4_22 F7_22 107.2(5) . . ?
F9_22 C4_22 F8_22 107.8(5) . . ?
F7_22 C4_22 F8_22 107.2(5) . . ?
F9_22 C4_22 C1_22 110.4(5) . . ?
F7_22 C4_22 C1_22 111.2(5) . . ?
F8_22 C4_22 C1_22 112.7(5) . . ?
C4_22 F8_22 Cs1 138.9(4) . . ?
C1_23 O1_23 Al0C 151(2) . . ?
O1_23 C1_23 C4_23 110.4(14) . . ?
O1_23 C1_23 C2_23 110.3(14) . . ?
C4_23 C1_23 C2_23 109.2(10) . . ?
O1_23 C1_23 C3_23 109.3(14) . . ?
C4_23 C1_23 C3_23 109.4(10) . . ?
C2_23 C1_23 C3_23 108.3(10) . . ?
F3_23 C2_23 F2_23 108.4(12) . . ?
F3_23 C2_23 F1_23 106.5(12) . . ?
F2_23 C2_23 F1_23 106.9(13) . . ?
F3_23 C2_23 C1_23 110.6(12) . . ?
F2_23 C2_23 C1_23 113.0(12) . . ?
F1_23 C2_23 C1_23 111.2(12) . . ?
F4_23 C3_23 F5_23 108.6(15) . . ?
F4_23 C3_23 F6_23 107.9(15) . . ?
F5_23 C3_23 F6_23 106.7(13) . . ?
F4_23 C3_23 C1_23 109.4(16) . . ?
F5_23 C3_23 C1_23 110.1(13) . . ?
F6_23 C3_23 C1_23 113.9(13) . . ?
C3_23 F6_23 Cs1A 150.8(13) . . ?
F9_23 C4_23 F7_23 107.9(14) . . ?
F9_23 C4_23 F8_23 107.0(12) . . ?
F7_23 C4_23 F8_23 106.4(13) . . ?
F9_23 C4_23 C1_23 110.7(13) . . ?
F7_23 C4_23 C1_23 111.3(14) . . ?
F8_23 C4_23 C1_23 113.2(12) . . ?
C4_23 F8_23 Cs1A 138.0(12) . . ?
C1_24 O1_24 Al0A 147.9(3) . . ?
O1_24 C1_24 C4_24 111.4(3) . . ?
O1_24 C1_24 C2_24 106.7(3) . . ?
C4_24 C1_24 C2_24 109.2(3) . . ?
O1_24 C1_24 C3_24 110.3(3) . . ?
C4_24 C1_24 C3_24 109.6(3) . . ?
C2_24 C1_24 C3_24 109.5(3) . . ?
F3_24 C2_24 F1_24 107.6(4) . . ?
F3_24 C2_24 F2_24 108.0(4) . . ?
F1_24 C2_24 F2_24 106.6(4) . . ?
F3_24 C2_24 C1_24 110.5(3) . . ?
F1_24 C2_24 C1_24 111.4(3) . . ?
F2_24 C2_24 C1_24 112.5(4) . . ?
C2_24 F1_24 Cs1 113.9(3) . . ?
C2_24 F2_24 Cs1 100.9(3) . . ?
F5_24 C3_24 F4_24 107.7(4) . . ?
F5_24 C3_24 F6_24 107.8(4) . . ?
F4_24 C3_24 F6_24 108.5(4) . . ?
F5_24 C3_24 C1_24 110.3(3) . . ?
F4_24 C3_24 C1_24 110.3(3) . . ?
F6_24 C3_24 C1_24 112.1(4) . . ?
F7_24 C4_24 F9_24 107.8(3) . . ?
F7_24 C4_24 F8_24 107.7(3) . . ?
F9_24 C4_24 F8_24 107.8(3) . . ?
F7_24 C4_24 C1_24 110.0(3) . . ?
F9_24 C4_24 C1_24 111.1(3) . . ?
F8_24 C4_24 C1_24 112.3(3) . . ?
C1_25 O1_25 Al0A 154(2) . . ?
O1_25 C1_25 C2_25 109.9(13) . . ?
O1_25 C1_25 C3_25 110.9(13) . . ?
C2_25 C1_25 C3_25 108.6(11) . . ?
O1_25 C1_25 C4_25 109.8(13) . . ?
C2_25 C1_25 C4_25 109.6(11) . . ?
C3_25 C1_25 C4_25 108.0(11) . . ?
F3_25 C2_25 F1_25 107.3(15) . . ?
F3_25 C2_25 F2_25 106.5(15) . . ?
F1_25 C2_25 F2_25 107.6(15) . . ?
F3_25 C2_25 C1_25 112.5(15) . . ?
F1_25 C2_25 C1_25 109.2(15) . . ?
F2_25 C2_25 C1_25 113.5(15) . . ?
C2_25 F1_25 Cs1A 99.4(15) . . ?
C2_25 F2_25 Cs1A 117.6(14) . . ?
F5_25 C3_25 F4_25 108.6(16) . . ?
F5_25 C3_25 F6_25 108.0(16) . . ?
F4_25 C3_25 F6_25 106.5(15) . . ?
F5_25 C3_25 C1_25 110.0(17) . . ?
F4_25 C3_25 C1_25 110.9(16) . . ?
F6_25 C3_25 C1_25 112.8(15) . . ?
F7_25 C4_25 F9_25 107.6(16) . . ?
F7_25 C4_25 F8_25 108.2(16) . . ?
F9_25 C4_25 F8_25 107.0(15) . . ?
F7_25 C4_25 C1_25 111.2(15) . . ?
F9_25 C4_25 C1_25 111.2(16) . . ?
F8_25 C4_25 C1_25 111.5(16) . . ?
C1_26 O1_26 Al08 149.5(3) . . ?
O1_26 C1_26 C3_26 112.2(3) . . ?
O1_26 C1_26 C2_26 109.4(3) . . ?
C3_26 C1_26 C2_26 108.6(3) . . ?
O1_26 C1_26 C4_26 107.9(3) . . ?
C3_26 C1_26 C4_26 109.3(3) . . ?
C2_26 C1_26 C4_26 109.5(3) . . ?
F1_26 C2_26 F3_26 106.6(4) . . ?
F1_26 C2_26 F2_26 108.0(3) . . ?
F3_26 C2_26 F2_26 107.0(4) . . ?
F1_26 C2_26 C1_26 111.5(3) . . ?
F3_26 C2_26 C1_26 111.2(3) . . ?
F2_26 C2_26 C1_26 112.3(3) . . ?
C2_26 F2_26 Cs2 150.6(3) . 3_766 ?
F6_26 C3_26 F5_26 108.4(3) . . ?
F6_26 C3_26 F4_26 107.2(3) . . ?
F5_26 C3_26 F4_26 107.0(3) . . ?
F6_26 C3_26 C1_26 113.6(3) . . ?
F5_26 C3_26 C1_26 110.6(3) . . ?
F4_26 C3_26 C1_26 109.9(3) . . ?
C3_26 F4_26 Cs05 162.5(2) . . ?
F7_26 C4_26 F9_26 108.1(4) . . ?
F7_26 C4_26 F8_26 108.9(4) . . ?
F9_26 C4_26 F8_26 105.7(4) . . ?
F7_26 C4_26 C1_26 111.7(3) . . ?
F9_26 C4_26 C1_26 110.1(3) . . ?
F8_26 C4_26 C1_26 112.1(4) . . ?
C4_26 F8_26 Cs2 127.1(4) . 3_766 ?
C1_27 O1_27 Al08 149.1(16) . . ?
O1_27 C1_27 C2_27 112.5(12) . . ?
O1_27 C1_27 C3_27 114.4(13) . . ?
C2_27 C1_27 C3_27 107.3(11) . . ?
O1_27 C1_27 C4_27 108.0(12) . . ?
C2_27 C1_27 C4_27 110.5(11) . . ?
C3_27 C1_27 C4_27 103.8(11) . . ?
F1_27 C2_27 F3_27 106.6(15) . . ?
F1_27 C2_27 F2_27 111.0(15) . . ?
F3_27 C2_27 F2_27 107.1(14) . . ?
F1_27 C2_27 C1_27 109.3(14) . . ?
F3_27 C2_27 C1_27 110.3(14) . . ?
F2_27 C2_27 C1_27 112.3(13) . . ?
C2_27 F2_27 Cs2A 138.7(13) . 3_766 ?
F4_27 C3_27 F5_27 111.3(16) . . ?
F4_27 C3_27 F6_27 106.8(15) . . ?
F5_27 C3_27 F6_27 107.2(16) . . ?
F4_27 C3_27 C1_27 111.2(14) . . ?
F5_27 C3_27 C1_27 111.9(17) . . ?
F6_27 C3_27 C1_27 108.3(14) . . ?
C3_27 F6_27 Cs2A 136.0(14) . 3_766 ?
F9_27 C4_27 F8_27 108.9(16) . . ?
F9_27 C4_27 F7_27 109.1(15) . . ?
F8_27 C4_27 F7_27 108.8(16) . . ?
F9_27 C4_27 C1_27 110.5(15) . . ?
F8_27 C4_27 C1_27 112.9(18) . . ?
F7_27 C4_27 C1_27 106.6(14) . . ?
C4_27 F7_27 Cs05 119.7(15) . . ?
C4_27 F8_27 Cs2A 153(3) . 3_766 ?
C4_27 F9_27 Cs05 95.0(15) . . ?
C1_28 O1_28 Al0C 150.7(11) . . ?
O1_28 C1_28 C4_28 112.2(11) . . ?
O1_28 C1_28 C3_28 110.0(10) . . ?
C4_28 C1_28 C3_28 108.7(9) . . ?
O1_28 C1_28 C2_28 108.7(10) . . ?
C4_28 C1_28 C2_28 109.0(9) . . ?
C3_28 C1_28 C2_28 108.3(9) . . ?
F3_28 C2_28 F1_28 107.9(12) . . ?
F3_28 C2_28 F2_28 109.1(12) . . ?
F1_28 C2_28 F2_28 107.8(10) . . ?
F3_28 C2_28 C1_28 108.9(12) . . ?
F1_28 C2_28 C1_28 109.7(10) . . ?
F2_28 C2_28 C1_28 113.3(11) . . ?
F4_28 C3_28 F5_28 107.9(13) . . ?
F4_28 C3_28 F6_28 107.6(12) . . ?
F5_28 C3_28 F6_28 107.4(12) . . ?
F4_28 C3_28 C1_28 110.9(12) . . ?
F5_28 C3_28 C1_28 110.4(13) . . ?
F6_28 C3_28 C1_28 112.4(12) . . ?
F7_28 C4_28 F9_28 106.1(12) . . ?
F7_28 C4_28 F8_28 107.0(14) . . ?
F9_28 C4_28 F8_28 108.3(13) . . ?
F7_28 C4_28 C1_28 112.9(14) . . ?
F9_28 C4_28 C1_28 110.4(11) . . ?
F8_28 C4_28 C1_28 111.9(14) . . ?
C1_29 O1_29 Al09 147.3(3) . . ?
O1_29 C1_29 C4_29 110.0(3) . . ?
O1_29 C1_29 C2_29 113.0(3) . . ?
C4_29 C1_29 C2_29 108.6(3) . . ?
O1_29 C1_29 C3_29 108.1(3) . . ?
C4_29 C1_29 C3_29 107.9(3) . . ?
C2_29 C1_29 C3_29 109.1(3) . . ?
F2_29 C2_29 F1_29 108.5(4) . . ?
F2_29 C2_29 F3_29 108.2(4) . . ?
F1_29 C2_29 F3_29 107.2(4) . . ?
F2_29 C2_29 C1_29 112.9(3) . . ?
F1_29 C2_29 C1_29 110.7(3) . . ?
F3_29 C2_29 C1_29 109.0(3) . . ?
F6_29 C3_29 F5_29 107.4(4) . . ?
F6_29 C3_29 F4_29 107.8(3) . . ?
F5_29 C3_29 F4_29 106.3(4) . . ?
F6_29 C3_29 C1_29 113.4(4) . . ?
F5_29 C3_29 C1_29 111.1(3) . . ?
F4_29 C3_29 C1_29 110.5(3) . . ?
C3_29 F4_29 Cs1 135.9(3) . . ?
F9_29 C4_29 F7_29 107.7(4) . . ?
F9_29 C4_29 F8_29 108.8(4) . . ?
F7_29 C4_29 F8_29 107.0(4) . . ?
F9_29 C4_29 C1_29 110.2(4) . . ?
F7_29 C4_29 C1_29 110.8(3) . . ?
F8_29 C4_29 C1_29 112.3(4) . . ?
C4_29 F7_29 Cs1 163.3(3) . . ?
C1_30 O1_30 Al09 140(3) . . ?
O1_30 C1_30 C4_30 112.0(15) . . ?
O1_30 C1_30 C2_30 112.1(15) . . ?
C4_30 C1_30 C2_30 107.9(13) . . ?
O1_30 C1_30 C3_30 111.3(15) . . ?
C4_30 C1_30 C3_30 107.7(13) . . ?
C2_30 C1_30 C3_30 105.5(12) . . ?
F1_30 C2_30 F3_30 110.1(17) . . ?
F1_30 C2_30 F2_30 111.3(17) . . ?
F3_30 C2_30 F2_30 107.8(17) . . ?
F1_30 C2_30 C1_30 110.8(18) . . ?
F3_30 C2_30 C1_30 108.9(18) . . ?
F2_30 C2_30 C1_30 107.9(16) . . ?
F4_30 C3_30 F5_30 109.4(17) . . ?
F4_30 C3_30 F6_30 109.9(17) . . ?
F5_30 C3_30 F6_30 107.9(17) . . ?
F4_30 C3_30 C1_30 111.8(18) . . ?
F5_30 C3_30 C1_30 109.3(17) . . ?
F6_30 C3_30 C1_30 108.5(17) . . ?
F9_30 C4_30 F7_30 109.6(17) . . ?
F9_30 C4_30 F8_30 108.1(17) . . ?
F7_30 C4_30 F8_30 107.5(17) . . ?
F9_30 C4_30 C1_30 110.4(18) . . ?
F7_30 C4_30 C1_30 110.1(18) . . ?
F8_30 C4_30 C1_30 111.0(18) . . ?
F9_30 C4_30 Cs1A 29(2) . . ?
F7_30 C4_30 Cs1A 89(2) . . ?
F8_30 C4_30 Cs1A 98(2) . . ?
C1_30 C4_30 Cs1A 137.9(18) . . ?
C4_30 F9_30 Cs1A 137(3) . . ?
C1_31 O1_31 Al0A 147.3(3) . . ?
O1_31 C1_31 C3_31 113.4(3) . . ?
O1_31 C1_31 C4_31 109.7(3) . . ?
C3_31 C1_31 C4_31 109.5(3) . . ?
O1_31 C1_31 C2_31 107.6(3) . . ?
C3_31 C1_31 C2_31 108.5(3) . . ?
C4_31 C1_31 C2_31 108.0(3) . . ?
F3_31 C2_31 F1_31 107.6(4) . . ?
F3_31 C2_31 F2_31 108.5(4) . . ?
F1_31 C2_31 F2_31 106.7(4) . . ?
F3_31 C2_31 C1_31 110.8(4) . . ?
F1_31 C2_31 C1_31 110.6(3) . . ?
F2_31 C2_31 C1_31 112.5(4) . . ?
C2_31 F1_31 Cs4 149.2(3) . . ?
C2_31 F2_31 Cs1 143.9(3) . 3_666 ?
F5_31 C3_31 F4_31 108.0(4) . . ?
F5_31 C3_31 F6_31 107.4(4) . . ?
F4_31 C3_31 F6_31 107.6(4) . . ?
F5_31 C3_31 C1_31 109.8(3) . . ?
F4_31 C3_31 C1_31 110.8(4) . . ?
F6_31 C3_31 C1_31 113.1(4) . . ?
C3_31 F6_31 Cs1 145.8(3) . 3_666 ?
F7_31 C4_31 F9_31 108.8(4) . . ?
F7_31 C4_31 F8_31 107.3(4) . . ?
F9_31 C4_31 F8_31 109.0(4) . . ?
F7_31 C4_31 C1_31 109.8(4) . . ?
F9_31 C4_31 C1_31 110.9(4) . . ?
F8_31 C4_31 C1_31 111.0(4) . . ?
C4_31 F8_31 Cs1 140.3(3) . 3_666 ?
C4_31 F9_31 Cs4 152.8(2) . . ?
C1_32 O1_32 Al0A 151(2) . . ?
O1_32 C1_32 C4_32 111.4(13) . . ?
O1_32 C1_32 C2_32 112.1(14) . . ?
C4_32 C1_32 C2_32 109.2(12) . . ?
O1_32 C1_32 C3_32 110.6(14) . . ?
C4_32 C1_32 C3_32 107.6(12) . . ?
C2_32 C1_32 C3_32 105.7(11) . . ?
F1_32 C2_32 F3_32 107.2(15) . . ?
F1_32 C2_32 F2_32 109.0(16) . . ?
F3_32 C2_32 F2_32 108.1(15) . . ?
F1_32 C2_32 C1_32 111.8(16) . . ?
F3_32 C2_32 C1_32 111.5(15) . . ?
F2_32 C2_32 C1_32 109.1(14) . . ?
C2_32 F2_32 Cs1A 131.5(19) . 3_666 ?
F4_32 C3_32 F5_32 108.8(16) . . ?
F4_32 C3_32 F6_32 108.4(15) . . ?
F5_32 C3_32 F6_32 108.7(16) . . ?
F4_32 C3_32 C1_32 111.5(16) . . ?
F5_32 C3_32 C1_32 108.5(16) . . ?
F6_32 C3_32 C1_32 110.9(16) . . ?
F4_32 C3_32 Cs4A 67.6(16) . . ?
F5_32 C3_32 Cs4A 43.7(16) . . ?
F6_32 C3_32 Cs4A 108.7(16) . . ?
C1_32 C3_32 Cs4A 137.9(12) . . ?
C3_32 F4_32 Cs4A 91.9(16) . . ?
C3_32 F5_32 Cs4A 118(2) . . ?
F7_32 C4_32 F9_32 109.4(16) . . ?
F7_32 C4_32 F8_32 106.9(16) . . ?
F9_32 C4_32 F8_32 107.6(16) . . ?
F7_32 C4_32 C1_32 109.2(16) . . ?
F9_32 C4_32 C1_32 111.0(16) . . ?
F8_32 C4_32 C1_32 112.6(18) . . ?
C4_32 F8_32 Cs1A 151(2) . 3_666 ?
C1_33 O1_33 Al07 147.8(3) . . ?
O1_33 C1_33 C2_33 108.6(3) . . ?
O1_33 C1_33 C4_33 111.1(3) . . ?
C2_33 C1_33 C4_33 109.3(3) . . ?
O1_33 C1_33 C3_33 110.0(3) . . ?
C2_33 C1_33 C3_33 108.7(3) . . ?
C4_33 C1_33 C3_33 109.0(3) . . ?
F1_33 C2_33 F2_33 108.7(4) . . ?
F1_33 C2_33 F3_33 107.4(4) . . ?
F2_33 C2_33 F3_33 107.4(4) . . ?
F1_33 C2_33 C1_33 110.9(3) . . ?
F2_33 C2_33 C1_33 112.3(3) . . ?
F3_33 C2_33 C1_33 110.0(3) . . ?
F5_33 C3_33 F6_33 107.8(3) . . ?
F5_33 C3_33 F4_33 106.9(3) . . ?
F6_33 C3_33 F4_33 107.1(3) . . ?
F5_33 C3_33 C1_33 111.1(3) . . ?
F6_33 C3_33 C1_33 112.9(3) . . ?
F4_33 C3_33 C1_33 110.7(3) . . ?
C3_33 F4_33 Cs3 133.6(2) . . ?
F9_33 C4_33 F7_33 108.4(4) . . ?
F9_33 C4_33 F8_33 107.6(3) . . ?
F7_33 C4_33 F8_33 106.7(3) . . ?
F9_33 C4_33 C1_33 111.3(3) . . ?
F7_33 C4_33 C1_33 110.2(3) . . ?
F8_33 C4_33 C1_33 112.4(3) . . ?
C4_33 F7_33 Cs3 100.6(2) . . ?
C4_33 F8_33 Cs3 112.0(2) . . ?
C1_34 O1_34 Al07 156(4) . . ?
O1_34 C1_34 C4_34 110.9(15) . . ?
O1_34 C1_34 C3_34 110.4(15) . . ?
C4_34 C1_34 C3_34 108.5(13) . . ?
O1_34 C1_34 C2_34 109.8(15) . . ?
C4_34 C1_34 C2_34 108.7(13) . . ?
C3_34 C1_34 C2_34 108.5(12) . . ?
F1_34 C2_34 F3_34 107.8(17) . . ?
F1_34 C2_34 F2_34 108.7(16) . . ?
F3_34 C2_34 F2_34 107.9(17) . . ?
F1_34 C2_34 C1_34 110.0(18) . . ?
F3_34 C2_34 C1_34 110.4(18) . . ?
F2_34 C2_34 C1_34 111.9(18) . . ?
F5_34 C3_34 F4_34 108.5(17) . . ?
F5_34 C3_34 F6_34 107.2(17) . . ?
F4_34 C3_34 F6_34 107.9(17) . . ?
F5_34 C3_34 C1_34 110.4(18) . . ?
F4_34 C3_34 C1_34 110.8(18) . . ?
F6_34 C3_34 C1_34 111.9(17) . . ?
C3_34 F4_34 Cs3A 155(3) . . ?
F7_34 C4_34 F9_34 108.9(17) . . ?
F7_34 C4_34 F8_34 107.2(17) . . ?
F9_34 C4_34 F8_34 107.1(17) . . ?
F7_34 C4_34 C1_34 110.9(19) . . ?
F9_34 C4_34 C1_34 110.5(19) . . ?
F8_34 C4_34 C1_34 112.1(19) . . ?
C4_34 F7_34 Cs3A 128(4) . . ?
C2_35 C1_35 H1A_35 109.5 . . ?
C2_35 C1_35 H1B_35 109.5 . . ?
H1A_35 C1_35 H1B_35 109.5 . . ?
C2_35 C1_35 H1C_35 109.5 . . ?
H1A_35 C1_35 H1C_35 109.5 . . ?
H1B_35 C1_35 H1C_35 109.5 . . ?
C3_35 C2_35 C7_35 118.8(12) . . ?
C3_35 C2_35 C1_35 124.3(15) . . ?
C7_35 C2_35 C1_35 116.9(15) . . ?
C3_35 C2_35 Cs6A 70.5(11) . . ?
C7_35 C2_35 Cs6A 82.8(12) . . ?
C1_35 C2_35 Cs6A 115.7(8) . . ?
C4_35 C3_35 C2_35 120.8(13) . . ?
C4_35 C3_35 Cs6A 76.8(13) . . ?
C2_35 C3_35 Cs6A 84.4(11) . . ?
C4_35 C3_35 H3_35 119.1 . . ?
C2_35 C3_35 H3_35 119.1 . . ?
Cs6A C3_35 H3_35 119.1 . . ?
C5_35 C4_35 C3_35 119.9(12) . . ?
C5_35 C4_35 Cs6A 86.4(13) . . ?
C3_35 C4_35 Cs6A 77.3(14) . . ?
C5_35 C4_35 H4_35 119.2 . . ?
C3_35 C4_35 H4_35 119.2 . . ?
Cs6A C4_35 H4_35 119.2 . . ?
C4_35 C5_35 C6_35 119.5(12) . . ?
C4_35 C5_35 Cs6A 68.9(12) . . ?
C6_35 C5_35 Cs6A 83.2(12) . . ?
C4_35 C5_35 H5_35 120.2 . . ?
C6_35 C5_35 H5_35 120.2 . . ?
Cs6A C5_35 H5_35 120.2 . . ?
C7_35 C6_35 C5_35 120.7(13) . . ?
C7_35 C6_35 Cs6A 76.6(13) . . ?
C5_35 C6_35 Cs6A 73.1(12) . . ?
C7_35 C6_35 H6_35 119.6 . . ?
C5_35 C6_35 H6_35 119.6 . . ?
Cs6A C6_35 H6_35 119.6 . . ?
C6_35 C7_35 C2_35 120.1(13) . . ?
C6_35 C7_35 Cs6A 80.0(13) . . ?
C2_35 C7_35 Cs6A 73.0(11) . . ?
C6_35 C7_35 H7_35 119.9 . . ?
C2_35 C7_35 H7_35 119.9 . . ?
Cs6A C7_35 H7_35 119.9 . . ?
C1_36 O1_36 Al08 148.5(16) . . ?
O1_36 C1_36 C4_36 111.3(12) . . ?
O1_36 C1_36 C2_36 109.7(12) . . ?
C4_36 C1_36 C2_36 108.5(10) . . ?
O1_36 C1_36 C3_36 109.1(12) . . ?
C4_36 C1_36 C3_36 108.5(10) . . ?
C2_36 C1_36 C3_36 109.7(10) . . ?
F3_36 C2_36 F2_36 108.4(14) . . ?
F3_36 C2_36 F1_36 106.3(14) . . ?
F2_36 C2_36 F1_36 107.0(14) . . ?
F3_36 C2_36 C1_36 110.5(12) . . ?
F2_36 C2_36 C1_36 113.4(12) . . ?
F1_36 C2_36 C1_36 110.8(13) . . ?
F5_36 C3_36 F4_36 106.8(15) . . ?
F5_36 C3_36 F6_36 108.4(14) . . ?
F4_36 C3_36 F6_36 107.5(14) . . ?
F5_36 C3_36 C1_36 111.1(15) . . ?
F4_36 C3_36 C1_36 111.1(13) . . ?
F6_36 C3_36 C1_36 111.7(13) . . ?
C3_36 F4_36 Cs05 109.8(12) . . ?
C3_36 F6_36 Cs05 102.8(11) . . ?
F9_36 C4_36 F7_36 106.3(13) . . ?
F9_36 C4_36 F8_36 108.6(14) . . ?
F7_36 C4_36 F8_36 107.3(14) . . ?
F9_36 C4_36 C1_36 110.6(13) . . ?
F7_36 C4_36 C1_36 110.9(12) . . ?
F8_36 C4_36 C1_36 112.9(14) . . ?
C4_36 F7_36 Cs05 143.1(12) . . ?

_refine_diff_density_max         3.570
_refine_diff_density_min         -1.401
_refine_diff_density_rms         0.190

