# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_b_sq
_database_code_depnum_ccdc_archive 'CCDC 2390017'
loop_
_audit_author_name
_audit_author_address
'Malte Sellin'
;Albert Ludwigs Universaet Freiburg
Germany
;
_audit_update_record             
;
2024-10-10 deposited with the CCDC.	2024-12-06 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V139 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C70 H4 Al4 F118 O22 Ru2'
_chemical_formula_moiety         
'2(C24 Al2 F55 O6), C10 O10 Ru2, 2(C6 H2 F4) [+ solvent]'
_chemical_formula_weight         3748.79
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_vrf_PLAT431_P1_b_sq             
;PROBLEM: Short Inter HL..A Contact  F2_14    ..O3       .       2.63 Ang.  
RESPONSE: The Ru2(CO)10++ dication is strongly electrophilic, hence strong 
contacts to negatively polarized atoms are expected
;
_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                   12.594(3)
_cell_length_b                   19.643(4)
_cell_length_c                   23.887(6)
_cell_angle_alpha                90.031(12)
_cell_angle_beta                 95.653(12)
_cell_angle_gamma                90.044(8)
_cell_volume                     5880(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9643
_cell_measurement_theta_min      2.244
_cell_measurement_theta_max      28.2035
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'diffusion of n-pentane in 1,2,3,4-tetrafluorobenzene'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.117
_exptl_crystal_F_000             3604
_exptl_crystal_size_max          0.249
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.198
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7063
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            198085
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_theta_min         1.625
_diffrn_reflns_theta_max         28.336
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             29301
_reflns_number_gt                24977
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS V6.2.15 Patch 4/2021-03-15 and APEX4 2022.1-1'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          'Refined as a 2-component twin.,Twin,SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²+13.6267P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         29301
_refine_ls_number_parameters     2424
_refine_ls_number_restraints     34962
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.1101
_refine_ls_wR_factor_gt          0.1011
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      0.835
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.815
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.00294(3) 0.38296(2) 0.75180(2) 0.01825(6) Uani 1 1 d . . . . .
Ru2 Ru -0.00952(3) 0.23400(2) 0.74922(2) 0.01808(6) Uani 1 1 d . . . . .
Al1 Al 0.11925(10) 0.04771(7) 0.01170(6) 0.0177(3) Uani 1 1 d . . . . .
Al2 Al 0.60656(10) 0.46100(7) 0.96937(6) 0.0170(3) Uani 1 1 d . . . . .
Al3 Al 0.60460(10) 0.54191(7) 0.46975(6) 0.0193(3) Uani 1 1 d . . . . .
Al4 Al 0.88359(11) 0.04960(8) 0.48330(6) 0.0211(3) Uani 1 1 d . . . . .
F1 F 0.000000 0.000000 0.000000 0.0262(9) Uani 1 2 d S . P . .
F2 F 0.500000 0.500000 1.000000 0.0206(8) Uani 1 2 d S . P . .
F3 F 0.500000 0.500000 0.500000 0.0212(8) Uani 1 2 d S . P A .
F4 F 1.000000 0.000000 0.500000 0.0249(8) Uani 1 2 d S . P B .
O1 O 0.0180(3) 0.54035(15) 0.75650(18) 0.0361(9) Uani 1 1 d . . . . .
O2 O -0.0440(3) 0.37104(19) 0.87687(14) 0.0257(7) Uani 1 1 d . . . . .
O3 O -0.2406(3) 0.38599(19) 0.71541(15) 0.0295(7) Uani 1 1 d . . . . .
O4 O 0.0453(3) 0.37429(19) 0.62597(14) 0.0264(7) Uani 1 1 d . . . . .
O5 O 0.2465(3) 0.36787(19) 0.78660(15) 0.0284(7) Uani 1 1 d . . . . .
O6 O -0.0185(3) 0.07625(14) 0.74767(16) 0.0275(7) Uani 1 1 d . . . . .
O7 O 0.1627(3) 0.23841(19) 0.85089(14) 0.0277(7) Uani 1 1 d . . . . .
O8 O -0.1887(3) 0.24446(19) 0.83011(15) 0.0290(8) Uani 1 1 d . . . . .
O9 O -0.1847(3) 0.2481(2) 0.64779(14) 0.0320(8) Uani 1 1 d . . . . .
O10 O 0.1692(3) 0.24080(19) 0.66921(14) 0.0264(7) Uani 1 1 d . . . . .
C5 C 0.1594(4) 0.3737(2) 0.77418(19) 0.0220(9) Uani 1 1 d . . . . .
C6 C -0.0153(4) 0.1329(2) 0.7478(2) 0.0266(9) Uani 1 1 d . . . . .
C1 C 0.0115(4) 0.48482(19) 0.7544(2) 0.0253(9) Uani 1 1 d . . . . .
C2 C -0.0260(3) 0.3765(3) 0.83219(19) 0.0222(9) Uani 1 1 d . . . . .
C3 C -0.1537(4) 0.3842(3) 0.7292(2) 0.0246(9) Uani 1 1 d . . . . .
C4 C 0.0300(3) 0.3787(2) 0.67092(19) 0.0208(9) Uani 1 1 d . . . . .
C7 C 0.1004(3) 0.2355(2) 0.81457(18) 0.0203(8) Uani 1 1 d . . . . .
C8 C -0.1241(3) 0.2399(3) 0.80097(19) 0.0223(9) Uani 1 1 d . . . . .
C9 C -0.1212(3) 0.2428(3) 0.68338(18) 0.0224(9) Uani 1 1 d . . . . .
C10 C 0.1051(3) 0.2376(2) 0.69782(17) 0.0212(8) Uani 1 1 d . . . . .
O1_1 O 0.1661(3) 0.03173(19) 0.07931(14) 0.0293(8) Uani 1 1 d D U . . .
C1_1 C 0.2346(3) -0.0019(2) 0.11817(18) 0.0234(9) Uani 1 1 d D U . . .
C2_1 C 0.2153(4) -0.0788(3) 0.1130(2) 0.0317(10) Uani 1 1 d D U . . .
F1_1 F 0.1263(2) -0.09688(18) 0.13704(15) 0.0413(8) Uani 1 1 d D U . . .
F2_1 F 0.2974(3) -0.11519(17) 0.13736(14) 0.0396(7) Uani 1 1 d D U . . .
F3_1 F 0.2023(3) -0.09817(18) 0.05903(14) 0.0439(8) Uani 1 1 d D U . . .
C3_1 C 0.3496(4) 0.0148(3) 0.1082(2) 0.0338(11) Uani 1 1 d D U . . .
F4_1 F 0.3631(3) 0.08053(18) 0.09776(16) 0.0426(8) Uani 1 1 d D U . . .
F5_1 F 0.3809(2) -0.02239(19) 0.06497(14) 0.0417(8) Uani 1 1 d D U . . .
F6_1 F 0.4175(2) 0.0005(2) 0.15487(14) 0.0431(8) Uani 1 1 d D U . . .
C4_1 C 0.2095(4) 0.0225(3) 0.1770(2) 0.0340(11) Uani 1 1 d D U . . .
F7_1 F 0.2558(3) 0.08332(18) 0.18922(14) 0.0431(8) Uani 1 1 d D U . . .
F8_1 F 0.2466(3) -0.0221(2) 0.21685(13) 0.0435(8) Uani 1 1 d D U . . .
F9_1 F 0.1056(2) 0.02831(18) 0.17919(13) 0.0370(7) Uani 1 1 d D U . . .
O1_2 O 0.1977(3) 0.01671(18) -0.03688(14) 0.0273(7) Uani 1 1 d D U . . .
C1_2 C 0.2498(3) 0.0285(2) -0.08323(18) 0.0226(8) Uani 1 1 d D U . . .
C2_2 C 0.1673(4) 0.0454(2) -0.13417(18) 0.0277(9) Uani 1 1 d D U . . .
F1_2 F 0.1201(2) -0.01082(17) -0.15596(13) 0.0421(7) Uani 1 1 d D U . . .
F2_2 F 0.2116(2) 0.07710(16) -0.17579(11) 0.0364(7) Uani 1 1 d D U . . .
F3_2 F 0.0917(2) 0.08711(18) -0.11894(13) 0.0370(7) Uani 1 1 d D U . . .
C3_2 C 0.3294(4) 0.0882(2) -0.07250(19) 0.0264(9) Uani 1 1 d D U . . .
F4_2 F 0.3815(3) 0.08464(18) -0.02214(13) 0.0388(8) Uani 1 1 d D U . . .
F5_2 F 0.2759(2) 0.14798(15) -0.07545(13) 0.0307(6) Uani 1 1 d D U . . .
F6_2 F 0.3998(2) 0.09022(17) -0.11042(14) 0.0351(7) Uani 1 1 d D U . . .
C4_2 C 0.3117(4) -0.0361(2) -0.0959(2) 0.0300(10) Uani 1 1 d D U . . .
F7_2 F 0.3991(2) -0.04341(17) -0.05990(14) 0.0386(7) Uani 1 1 d D U . . .
F8_2 F 0.3433(3) -0.03558(17) -0.14755(13) 0.0412(7) Uani 1 1 d D U . . .
F9_2 F 0.2538(3) -0.09204(16) -0.09130(16) 0.0411(8) Uani 1 1 d D U . . .
O1_3 O 0.0818(3) 0.13087(16) 0.00130(13) 0.0227(7) Uani 1 1 d D U . . .
C1_3 C 0.0627(3) 0.1907(2) 0.02805(18) 0.0236(9) Uani 1 1 d D U . . .
C2_3 C 0.0356(4) 0.2447(3) -0.0182(2) 0.0349(11) Uani 1 1 d D U . . .
F1_3 F 0.1273(3) 0.26688(19) -0.03799(14) 0.0444(8) Uani 1 1 d D U . . .
F2_3 F -0.0146(3) 0.29892(16) 0.00048(15) 0.0398(8) Uani 1 1 d D U . . .
F3_3 F -0.0246(3) 0.21924(17) -0.06272(13) 0.0385(7) Uani 1 1 d D U . . .
C3_3 C -0.0335(4) 0.1816(3) 0.0633(2) 0.0337(11) Uani 1 1 d D U . . .
F4_3 F -0.0252(2) 0.12423(17) 0.09127(14) 0.0358(7) Uani 1 1 d D U . . .
F5_3 F -0.1247(2) 0.17847(19) 0.02952(15) 0.0424(8) Uani 1 1 d D U . . .
F6_3 F -0.0397(3) 0.23274(19) 0.09920(14) 0.0453(8) Uani 1 1 d D U . . .
C4_3 C 0.1619(4) 0.2139(3) 0.0674(2) 0.0368(11) Uani 1 1 d D U . . .
F7_3 F 0.1664(3) 0.18130(18) 0.11645(13) 0.0430(8) Uani 1 1 d D U . . .
F8_3 F 0.1590(3) 0.28103(17) 0.07759(17) 0.0525(10) Uani 1 1 d D U . . .
F9_3 F 0.2510(2) 0.2005(2) 0.04303(15) 0.0438(8) Uani 1 1 d D U . . .
O1_4 O 0.7121(2) 0.45704(18) 1.01967(13) 0.0221(7) Uani 1 1 d D U . . .
C1_4 C 0.7715(3) 0.4864(2) 1.06419(17) 0.0213(8) Uani 1 1 d D U . . .
C2_4 C 0.7132(4) 0.4787(3) 1.1174(2) 0.0310(11) Uani 1 1 d D U . . .
F1_4 F 0.6321(2) 0.5236(2) 1.11602(14) 0.0412(8) Uani 1 1 d D U . . .
F2_4 F 0.7767(3) 0.49067(19) 1.16557(12) 0.0379(7) Uani 1 1 d D U . . .
F3_4 F 0.6727(3) 0.41709(19) 1.12138(15) 0.0450(9) Uani 1 1 d D U . . .
C3_4 C 0.8801(3) 0.4500(2) 1.0733(2) 0.0268(10) Uani 1 1 d D U . . .
F4_4 F 0.9220(2) 0.44032(18) 1.02483(14) 0.0362(7) Uani 1 1 d D U . . .
F5_4 F 0.8712(3) 0.38924(17) 1.09684(14) 0.0385(7) Uani 1 1 d D U . . .
F6_4 F 0.9512(2) 0.48631(18) 1.10756(14) 0.0363(7) Uani 1 1 d D U . . .
C4_4 C 0.7884(4) 0.5627(2) 1.0518(2) 0.0267(10) Uani 1 1 d D U . . .
F7_4 F 0.8657(3) 0.57222(18) 1.01865(14) 0.0378(8) Uani 1 1 d D U . . .
F8_4 F 0.8159(2) 0.59911(16) 1.09976(12) 0.0303(6) Uani 1 1 d D U . . .
F9_4 F 0.7010(3) 0.59010(17) 1.02689(14) 0.0384(8) Uani 1 1 d D U . . .
O1_5 O 0.6213(3) 0.51279(19) 0.91364(13) 0.0235(7) Uani 1 1 d D U . . .
C1_5 C 0.6635(3) 0.5243(2) 0.86446(18) 0.0240(9) Uani 1 1 d D U . . .
C2_5 C 0.6316(4) 0.4680(3) 0.82070(19) 0.0308(10) Uani 1 1 d D U . . .
F1_5 F 0.6923(3) 0.41261(16) 0.83084(13) 0.0350(7) Uani 1 1 d D U . . .
F2_5 F 0.6432(3) 0.4872(2) 0.76800(12) 0.0428(8) Uani 1 1 d D U . . .
F3_5 F 0.5316(2) 0.4479(2) 0.82312(14) 0.0473(9) Uani 1 1 d D U . . .
C3_5 C 0.6211(4) 0.5933(3) 0.8411(2) 0.0377(12) Uani 1 1 d D U . . .
F4_5 F 0.6257(3) 0.64066(18) 0.88098(16) 0.0466(9) Uani 1 1 d D U . . .
F5_5 F 0.5196(3) 0.5885(2) 0.82009(14) 0.0495(10) Uani 1 1 d D U . . .
F6_5 F 0.6772(3) 0.6172(2) 0.80046(15) 0.0485(9) Uani 1 1 d D U . . .
C4_5 C 0.7872(4) 0.5272(2) 0.87477(19) 0.0259(9) Uani 1 1 d D U . . .
F7_5 F 0.8221(3) 0.58603(17) 0.89724(15) 0.0374(7) Uani 1 1 d D U . . .
F8_5 F 0.8333(2) 0.51772(18) 0.82676(12) 0.0341(7) Uani 1 1 d D U . . .
F9_5 F 0.8229(2) 0.47806(16) 0.91020(12) 0.0279(6) Uani 1 1 d D U . . .
O1_6 O 0.5596(3) 0.38218(18) 0.95005(15) 0.0284(7) Uani 1 1 d D U . . .
C1_6 C 0.5729(3) 0.3138(2) 0.95564(18) 0.0257(9) Uani 1 1 d D U . . .
C2_6 C 0.5145(4) 0.2865(3) 1.0046(2) 0.0420(12) Uani 1 1 d D U . . .
F1_6 F 0.5351(3) 0.3273(2) 1.04959(15) 0.0510(10) Uani 1 1 d D U . . .
F2_6 F 0.5485(3) 0.2245(2) 1.01989(18) 0.0560(10) Uani 1 1 d D U . . .
F3_6 F 0.4088(3) 0.2859(2) 0.99043(18) 0.0542(10) Uani 1 1 d D U . . .
C3_6 C 0.5239(4) 0.2816(3) 0.8996(2) 0.0366(11) Uani 1 1 d D U . . .
F4_6 F 0.5903(3) 0.2912(2) 0.85887(14) 0.0461(9) Uani 1 1 d D U . . .
F5_6 F 0.4296(3) 0.3094(2) 0.88225(16) 0.0461(8) Uani 1 1 d D U . . .
F6_6 F 0.5081(3) 0.21491(17) 0.90366(17) 0.0509(9) Uani 1 1 d D U . . .
C4_6 C 0.6928(4) 0.2947(2) 0.9648(2) 0.0319(10) Uani 1 1 d D U . . .
F7_6 F 0.7503(2) 0.33439(17) 0.93390(14) 0.0364(7) Uani 1 1 d D U . . .
F8_6 F 0.7114(3) 0.23084(18) 0.94967(16) 0.0450(8) Uani 1 1 d D U . . .
F9_6 F 0.7303(3) 0.30300(18) 1.01855(13) 0.0399(8) Uani 1 1 d D U . . .
O1_7 O 0.6162(3) 0.4920(2) 0.41197(14) 0.0290(8) Uani 1 1 d D U . . .
C1_7 C 0.6601(3) 0.4810(2) 0.36288(18) 0.0269(10) Uani 1 1 d D U . . .
C2_7 C 0.6128(4) 0.4145(3) 0.3367(2) 0.0431(13) Uani 1 1 d D U . . .
F1_7 F 0.5131(3) 0.4243(2) 0.31399(15) 0.0529(10) Uani 1 1 d D U . . .
F2_7 F 0.6693(3) 0.3916(2) 0.29585(16) 0.0588(11) Uani 1 1 d D U . . .
F3_7 F 0.6124(4) 0.3659(2) 0.37549(17) 0.0574(10) Uani 1 1 d D U . . .
C3_7 C 0.7828(4) 0.4752(3) 0.3747(2) 0.0317(11) Uani 1 1 d D U . . .
F4_7 F 0.8204(2) 0.52269(19) 0.41092(13) 0.0361(7) Uani 1 1 d D U . . .
F5_7 F 0.8121(3) 0.41466(19) 0.39563(17) 0.0478(9) Uani 1 1 d D U . . .
F6_7 F 0.8327(3) 0.4833(2) 0.32730(14) 0.0427(8) Uani 1 1 d D U . . .
C4_7 C 0.6335(4) 0.5404(3) 0.3212(2) 0.0349(11) Uani 1 1 d D U . . .
F7_7 F 0.6987(3) 0.59398(18) 0.33361(14) 0.0406(8) Uani 1 1 d D U . . .
F8_7 F 0.6459(3) 0.5223(2) 0.26800(13) 0.0476(9) Uani 1 1 d D U . . .
F9_7 F 0.5342(3) 0.5625(2) 0.32281(16) 0.0497(9) Uani 1 1 d D U . . .
O1_8 O 0.7115(3) 0.54519(19) 0.51901(15) 0.0257(7) Uani 1 1 d D U . . .
C1_8 C 0.7716(3) 0.5164(2) 0.56282(18) 0.0227(9) Uani 1 1 d D U . . .
C2_8 C 0.8809(4) 0.5534(3) 0.5710(2) 0.0330(11) Uani 1 1 d D U . . .
F1_8 F 0.8716(3) 0.61430(18) 0.59386(16) 0.0472(9) Uani 1 1 d D U . . .
F2_8 F 0.9512(2) 0.5178(2) 0.60476(16) 0.0471(9) Uani 1 1 d D U . . .
F3_8 F 0.9204(2) 0.5618(2) 0.52263(16) 0.0447(9) Uani 1 1 d D U . . .
C3_8 C 0.7892(4) 0.4399(3) 0.5516(2) 0.0284(10) Uani 1 1 d D U . . .
F4_8 F 0.7006(2) 0.41136(17) 0.52690(14) 0.0360(7) Uani 1 1 d D U . . .
F5_8 F 0.8659(3) 0.43030(19) 0.51806(15) 0.0396(8) Uani 1 1 d D U . . .
F6_8 F 0.8170(2) 0.40452(17) 0.59879(13) 0.0338(7) Uani 1 1 d D U . . .
C4_8 C 0.7137(4) 0.5244(3) 0.6175(2) 0.0316(10) Uani 1 1 d D U . . .
F7_8 F 0.6346(3) 0.4791(2) 0.61750(15) 0.0429(8) Uani 1 1 d D U . . .
F8_8 F 0.7799(3) 0.51450(19) 0.66377(13) 0.0429(8) Uani 1 1 d D U . . .
F9_8 F 0.6721(3) 0.58536(19) 0.62017(16) 0.0513(10) Uani 1 1 d D U . . .
O1_9 O 0.5560(16) 0.6210(5) 0.4576(7) 0.037(3) Uani 0.576(6) 1 d D U P A 1
C1_9 C 0.5692(7) 0.6898(5) 0.4612(4) 0.0314(14) Uani 0.576(6) 1 d D U P A 1
C2_9 C 0.5130(8) 0.7222(5) 0.4065(4) 0.0488(18) Uani 0.576(6) 1 d D U P A 1
F1_9 F 0.4167(8) 0.6939(6) 0.3932(5) 0.061(3) Uani 0.576(6) 1 d D U P A 1
F2_9 F 0.4985(9) 0.7894(4) 0.4131(6) 0.068(3) Uani 0.576(6) 1 d D U P A 1
F3_9 F 0.5726(7) 0.7136(5) 0.3642(3) 0.068(2) Uani 0.576(6) 1 d D U P A 1
C3_9 C 0.6877(6) 0.7110(4) 0.4685(3) 0.0346(15) Uani 0.576(6) 1 d D U P A 1
F4_9 F 0.7321(5) 0.7014(4) 0.5207(3) 0.0391(15) Uani 0.576(6) 1 d D U P A 1
F5_9 F 0.7430(11) 0.6740(9) 0.4344(7) 0.050(3) Uani 0.576(6) 1 d D U P A 1
F6_9 F 0.7021(8) 0.7756(4) 0.4543(4) 0.059(2) Uani 0.576(6) 1 d D U P A 1
C4_9 C 0.5144(7) 0.7131(5) 0.5132(4) 0.0438(18) Uani 0.576(6) 1 d D U P A 1
F7_9 F 0.5464(8) 0.6734(8) 0.5575(5) 0.066(3) Uani 0.576(6) 1 d D U P A 1
F8_9 F 0.5387(12) 0.7767(5) 0.5279(7) 0.068(3) Uani 0.576(6) 1 d D U P A 1
F9_9 F 0.4097(5) 0.7120(4) 0.5049(4) 0.065(2) Uani 0.576(6) 1 d D U P A 1
O1_10 O 0.556(2) 0.6190(7) 0.4478(9) 0.026(2) Uani 0.424(6) 1 d D U P A 2
C1_10 C 0.5590(8) 0.6881(7) 0.4517(4) 0.0312(17) Uani 0.424(6) 1 d D U P A 2
C2_10 C 0.6529(7) 0.7127(5) 0.4201(4) 0.0305(17) Uani 0.424(6) 1 d D U P A 2
F1_10 F 0.6249(7) 0.7118(6) 0.3651(3) 0.042(2) Uani 0.424(6) 1 d D U P A 2
F2_10 F 0.6774(9) 0.7774(4) 0.4327(4) 0.040(2) Uani 0.424(6) 1 d D U P A 2
F3_10 F 0.7377(15) 0.6733(11) 0.4316(8) 0.042(4) Uani 0.424(6) 1 d D U P A 2
C3_10 C 0.5762(9) 0.7116(5) 0.5139(4) 0.0413(19) Uani 0.424(6) 1 d D U P A 2
F4_10 F 0.5136(11) 0.6745(9) 0.5440(6) 0.060(3) Uani 0.424(6) 1 d D U P A 2
F5_10 F 0.6792(8) 0.7033(5) 0.5345(3) 0.049(2) Uani 0.424(6) 1 d D U P A 2
F6_10 F 0.5521(19) 0.7775(6) 0.5193(9) 0.066(4) Uani 0.424(6) 1 d D U P A 2
C4_10 C 0.4519(8) 0.7162(5) 0.4232(5) 0.041(2) Uani 0.424(6) 1 d D U P A 2
F7_10 F 0.3749(7) 0.7144(4) 0.4581(5) 0.062(3) Uani 0.424(6) 1 d D U P A 2
F8_10 F 0.4619(9) 0.7806(5) 0.4072(7) 0.049(3) Uani 0.424(6) 1 d D U P A 2
F9_10 F 0.4232(12) 0.6803(8) 0.3767(6) 0.059(3) Uani 0.424(6) 1 d D U P A 2
O1_12 O 0.9320(13) 0.1301(6) 0.4960(7) 0.035(3) Uani 0.649(6) 1 d D U P B 1
C1_12 C 0.9362(6) 0.1953(5) 0.4776(3) 0.0268(19) Uani 0.649(6) 1 d D U P B 1
C2_12 C 0.8263(5) 0.2303(3) 0.4783(3) 0.0272(13) Uani 0.649(6) 1 d D U P B 1
F1_12 F 0.8089(5) 0.2486(3) 0.5304(2) 0.0462(14) Uani 0.649(6) 1 d D U P B 1
F2_12 F 0.8162(6) 0.2855(3) 0.4471(3) 0.0405(15) Uani 0.649(6) 1 d D U P B 1
F3_12 F 0.7494(7) 0.1875(5) 0.4590(5) 0.038(2) Uani 0.649(6) 1 d D U P B 1
C3_12 C 0.9712(6) 0.1969(4) 0.4172(3) 0.0396(17) Uani 0.649(6) 1 d D U P B 1
F4_12 F 1.0446(8) 0.1498(5) 0.4114(5) 0.072(3) Uani 0.649(6) 1 d D U P B 1
F5_12 F 0.8880(6) 0.1817(3) 0.3793(2) 0.0479(15) Uani 0.649(6) 1 d D U P B 1
F6_12 F 1.0080(7) 0.2576(4) 0.4039(4) 0.062(2) Uani 0.649(6) 1 d D U P B 1
C4_12 C 1.0196(6) 0.2327(4) 0.5194(3) 0.0416(18) Uani 0.649(6) 1 d D U P B 1
F7_12 F 1.1170(4) 0.2145(3) 0.5090(3) 0.0676(19) Uani 0.649(6) 1 d D U P B 1
F8_12 F 1.0126(14) 0.2999(5) 0.5138(8) 0.043(3) Uani 0.649(6) 1 d D U P B 1
F9_12 F 1.0044(10) 0.2177(9) 0.5723(4) 0.051(3) Uani 0.649(6) 1 d D U P B 1
O1_13 O 0.912(2) 0.1331(9) 0.4972(12) 0.027(4) Uani 0.351(6) 1 d D U P B 2
C1_13 C 0.9350(9) 0.1935(7) 0.4735(5) 0.023(3) Uani 0.351(6) 1 d D U P B 2
C2_13 C 1.0326(8) 0.1874(6) 0.4391(5) 0.031(3) Uani 0.351(6) 1 d D U P B 2
F1_13 F 1.1210(7) 0.1829(6) 0.4744(5) 0.051(3) Uani 0.351(6) 1 d D U P B 2
F2_13 F 1.0487(12) 0.2409(7) 0.4074(7) 0.051(4) Uani 0.351(6) 1 d D U P B 2
F3_13 F 1.0230(15) 0.1325(8) 0.4058(8) 0.054(4) Uani 0.351(6) 1 d D U P B 2
C3_13 C 0.8365(9) 0.2193(5) 0.4354(5) 0.028(3) Uani 0.351(6) 1 d D U P B 2
F4_13 F 0.7470(14) 0.2075(9) 0.4584(10) 0.045(4) Uani 0.351(6) 1 d D U P B 2
F5_13 F 0.8294(10) 0.1891(6) 0.3850(4) 0.043(3) Uani 0.351(6) 1 d D U P B 2
F6_13 F 0.8443(12) 0.2859(5) 0.4272(6) 0.046(3) Uani 0.351(6) 1 d D U P B 2
C4_13 C 0.9612(9) 0.2456(6) 0.5219(4) 0.023(2) Uani 0.351(6) 1 d D U P B 2
F7_13 F 0.8741(8) 0.2644(6) 0.5441(4) 0.041(2) Uani 0.351(6) 1 d D U P B 2
F8_13 F 1.009(2) 0.3010(10) 0.5040(14) 0.036(5) Uani 0.351(6) 1 d D U P B 2
F9_13 F 1.0278(17) 0.2197(15) 0.5636(8) 0.043(4) Uani 0.351(6) 1 d D U P B 2
F1_14 F 0.7147(2) 0.15561(15) 0.72914(12) 0.0343(6) Uani 1 1 d D U . . .
F2_14 F 0.6374(3) 0.28214(15) 0.73640(13) 0.0460(8) Uani 1 1 d D U . . .
F3_14 F 0.4316(3) 0.30243(17) 0.75512(13) 0.0514(9) Uani 1 1 d D U . . .
F4_14 F 0.3019(2) 0.1944(2) 0.76918(13) 0.0485(8) Uani 1 1 d D U . . .
C1_14 C 0.6101(3) 0.1630(2) 0.73815(18) 0.0252(9) Uani 1 1 d D U . . .
C2_14 C 0.5749(3) 0.2287(2) 0.74247(18) 0.0276(9) Uani 1 1 d D U . . .
C3_14 C 0.4681(3) 0.2385(2) 0.75159(19) 0.0303(10) Uani 1 1 d D U . . .
C4_14 C 0.4041(3) 0.1832(3) 0.7583(2) 0.0313(10) Uani 1 1 d D U . . .
C5_14 C 0.4427(4) 0.1179(3) 0.75479(19) 0.0301(10) Uani 1 1 d D U . . .
H5_14 H 0.398021 0.079832 0.759785 0.036 Uiso 1 1 calc R U . . .
C6_14 C 0.5473(4) 0.1086(3) 0.7439(2) 0.0277(10) Uani 1 1 d D U . . .
H6_14 H 0.574774 0.063979 0.740385 0.033 Uiso 1 1 calc R U . . .
F1_17 F 0.8520(14) 0.6249(6) 0.7400(6) 0.093(3) Uani 0.579(9) 1 d D U P C 1
F2_17 F 1.0159(10) 0.6900(6) 0.7938(5) 0.113(3) Uani 0.579(9) 1 d D U P C 1
F3_17 F 1.0331(11) 0.8295(7) 0.7810(5) 0.140(4) Uani 0.579(9) 1 d D U P C 1
F4_17 F 0.8915(9) 0.9003(4) 0.7171(4) 0.102(3) Uani 0.579(9) 1 d D U P C 1
C1_17 C 0.8560(12) 0.6938(7) 0.7323(6) 0.100(2) Uani 0.579(9) 1 d D U P C 1
C2_17 C 0.9400(11) 0.7264(6) 0.7612(6) 0.106(3) Uani 0.579(9) 1 d D U P C 1
C3_17 C 0.9499(12) 0.7944(6) 0.7542(6) 0.110(3) Uani 0.579(9) 1 d D U P C 1
C4_17 C 0.8761(12) 0.8304(6) 0.7190(6) 0.106(2) Uani 0.579(9) 1 d D U P C 1
C5_17 C 0.7891(12) 0.7962(7) 0.6923(7) 0.107(3) Uani 0.579(9) 1 d D U P C 1
H5_17 H 0.736846 0.820479 0.668884 0.128 Uiso 0.579(9) 1 calc R U P C 1
C6_17 C 0.7784(13) 0.7278(7) 0.6994(7) 0.105(2) Uani 0.579(9) 1 d D U P C 1
H6_17 H 0.718134 0.704206 0.681909 0.126 Uiso 0.579(9) 1 calc R U P C 1
O1_19 O 0.7921(9) 0.0214(7) 0.5237(4) 0.036(2) Uani 0.763(8) 1 d D U P B 1
C1_19 C 0.7444(5) 0.0204(4) 0.5720(3) 0.0258(13) Uani 0.763(8) 1 d D U P B 1
C2_19 C 0.6810(6) -0.0471(4) 0.5745(3) 0.0359(16) Uani 0.763(8) 1 d D U P B 1
F1_19 F 0.5910(4) -0.0463(3) 0.5406(2) 0.0430(13) Uani 0.763(8) 1 d D U P B 1
F2_19 F 0.6551(6) -0.0604(4) 0.6264(3) 0.0587(18) Uani 0.763(8) 1 d D U P B 1
F3_19 F 0.7376(4) -0.0995(2) 0.5590(3) 0.0616(16) Uani 0.763(8) 1 d D U P B 1
C3_19 C 0.8276(6) 0.0259(4) 0.6236(3) 0.0396(17) Uani 0.763(8) 1 d D U P B 1
F4_19 F 0.9000(4) 0.0736(4) 0.6148(2) 0.0586(17) Uani 0.763(8) 1 d D U P B 1
F5_19 F 0.8805(6) -0.0320(4) 0.6323(3) 0.079(2) Uani 0.763(8) 1 d D U P B 1
F6_19 F 0.7858(8) 0.0418(4) 0.6710(3) 0.051(2) Uani 0.763(8) 1 d D U P B 1
C4_19 C 0.6655(6) 0.0815(4) 0.5729(3) 0.0299(15) Uani 0.763(8) 1 d D U P B 1
F7_19 F 0.7181(4) 0.1390(2) 0.5839(3) 0.0435(13) Uani 0.763(8) 1 d D U P B 1
F8_19 F 0.5953(6) 0.0727(4) 0.6111(3) 0.0439(18) Uani 0.763(8) 1 d D U P B 1
F9_19 F 0.6103(5) 0.0888(3) 0.5232(2) 0.0422(13) Uani 0.763(8) 1 d D U P B 1
O1_20 O 0.794(3) 0.014(2) 0.5263(13) 0.034(5) Uani 0.237(8) 1 d D U P B 2
C1_20 C 0.7423(13) 0.0195(8) 0.5733(8) 0.029(3) Uani 0.237(8) 1 d D U P B 2
C2_20 C 0.6575(14) 0.0767(8) 0.5676(8) 0.032(3) Uani 0.237(8) 1 d D U P B 2
F1_20 F 0.5754(12) 0.0594(10) 0.5309(7) 0.049(4) Uani 0.237(8) 1 d D U P B 2
F2_20 F 0.6203(18) 0.0899(13) 0.6172(8) 0.036(4) Uani 0.237(8) 1 d D U P B 2
F3_20 F 0.6969(11) 0.1347(7) 0.5496(8) 0.041(3) Uani 0.237(8) 1 d D U P B 2
C3_20 C 0.8234(13) 0.0351(8) 0.6245(8) 0.034(3) Uani 0.237(8) 1 d D U P B 2
F4_20 F 0.9113(10) -0.0020(8) 0.6210(6) 0.031(3) Uani 0.237(8) 1 d D U P B 2
F5_20 F 0.8522(14) 0.1006(6) 0.6263(6) 0.043(3) Uani 0.237(8) 1 d D U P B 2
F6_20 F 0.786(2) 0.0193(12) 0.6731(10) 0.038(4) Uani 0.237(8) 1 d D U P B 2
C4_20 C 0.6866(13) -0.0501(8) 0.5812(7) 0.035(3) Uani 0.237(8) 1 d D U P B 2
F7_20 F 0.7595(11) -0.0969(7) 0.5987(8) 0.048(4) Uani 0.237(8) 1 d D U P B 2
F8_20 F 0.6148(14) -0.0461(11) 0.6183(8) 0.045(4) Uani 0.237(8) 1 d D U P B 2
F9_20 F 0.6350(15) -0.0695(10) 0.5323(6) 0.054(4) Uani 0.237(8) 1 d D U P B 2
F1_21 F 0.6906(13) 0.7279(9) 0.6862(7) 0.153(5) Uani 0.421(9) 1 d D U P C 2
F2_21 F 0.857(2) 0.6340(8) 0.7271(9) 0.107(4) Uani 0.421(9) 1 d D U P C 2
F3_21 F 1.0540(15) 0.6896(10) 0.7676(8) 0.145(5) Uani 0.421(9) 1 d D U P C 2
F4_21 F 1.0872(15) 0.8184(10) 0.7685(9) 0.141(5) Uani 0.421(9) 1 d D U P C 2
C1_21 C 0.7899(14) 0.7462(9) 0.7084(7) 0.107(2) Uani 0.421(9) 1 d D U P C 2
C2_21 C 0.8695(13) 0.7026(9) 0.7277(7) 0.105(2) Uani 0.421(9) 1 d D U P C 2
C3_21 C 0.9673(14) 0.7287(8) 0.7473(7) 0.110(3) Uani 0.421(9) 1 d D U P C 2
C4_21 C 0.9877(15) 0.7971(8) 0.7479(8) 0.111(3) Uani 0.421(9) 1 d D U P C 2
C5_21 C 0.9086(16) 0.8400(9) 0.7277(9) 0.109(3) Uani 0.421(9) 1 d D U P C 2
H5_21 H 0.921250 0.887664 0.727328 0.131 Uiso 0.421(9) 1 calc R U P C 2
C6_21 C 0.8101(16) 0.8146(9) 0.7079(8) 0.108(3) Uani 0.421(9) 1 d D U P C 2
H6_21 H 0.755352 0.845018 0.693630 0.129 Uiso 0.421(9) 1 calc R U P C 2
O1_15 O 0.8473(3) 0.0348(2) 0.41368(14) 0.0278(7) Uani 1 1 d D U . . .
C1_15 C 0.7789(3) 0.0034(2) 0.37420(19) 0.0252(9) Uani 1 1 d D U . . .
C2_15 C 0.8018(4) 0.0310(3) 0.3157(2) 0.0314(10) Uani 1 1 d D U . . .
F1_15 F 0.7582(3) 0.09232(18) 0.30652(15) 0.0444(8) Uani 1 1 d D U . . .
F2_15 F 0.7611(3) -0.01049(19) 0.27439(12) 0.0427(8) Uani 1 1 d D U . . .
F3_15 F 0.9056(2) 0.03624(19) 0.31142(13) 0.0380(7) Uani 1 1 d D U . . .
C3_15 C 0.7991(4) -0.0742(3) 0.3763(2) 0.0296(10) Uani 1 1 d D U . . .
F4_15 F 0.8132(3) -0.09515(18) 0.42955(13) 0.0387(7) Uani 1 1 d D U . . .
F5_15 F 0.8875(2) -0.09076(18) 0.35246(14) 0.0403(8) Uani 1 1 d D U . . .
F6_15 F 0.7181(2) -0.11025(17) 0.35067(13) 0.0361(7) Uani 1 1 d D U . . .
C4_15 C 0.6611(4) 0.0184(3) 0.3840(2) 0.0338(11) Uani 1 1 d D U . . .
F7_15 F 0.6307(2) -0.0221(2) 0.42561(13) 0.0422(8) Uani 1 1 d D U . . .
F8_15 F 0.5945(2) 0.00670(19) 0.33771(14) 0.0407(8) Uani 1 1 d D U . . .
F9_15 F 0.6498(3) 0.08245(19) 0.39937(17) 0.0476(9) Uani 1 1 d D U . . .


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
Ru1 C3 1.994(5) . ?
Ru1 C2 1.994(5) . ?
Ru1 C4 1.996(5) . ?
Ru1 C5 1.999(5) . ?
Ru1 C1 2.004(4) . ?
Ru1 Ru2 2.9303(7) . ?
Ru2 C7 1.982(4) . ?
Ru2 C10 1.986(5) . ?
Ru2 C6 1.987(4) . ?
Ru2 C8 1.994(4) . ?
Ru2 C9 2.012(4) . ?
Al1 O1_1 1.694(4) . ?
Al1 O1_2 1.708(3) . ?
Al1 O1_3 1.712(3) . ?
Al1 F1 1.7682(13) . ?
Al2 O1_5 1.700(4) . ?
Al2 O1_4 1.704(3) . ?
Al2 O1_6 1.704(4) . ?
Al2 F2 1.7656(13) . ?
Al3 O1_9 1.685(13) . ?
Al3 O1_10 1.699(17) . ?
Al3 O1_8 1.700(4) . ?
Al3 O1_7 1.711(4) . ?
Al3 F3 1.7668(14) . ?
Al4 O1_19 1.668(9) . ?
Al4 O1_13 1.70(2) . ?
Al4 O1_15 1.705(4) . ?
Al4 O1_12 1.710(13) . ?
Al4 O1_20 1.75(3) . ?
Al4 F4 1.7734(14) . ?
O1 C1 1.095(5) . ?
O2 C2 1.118(6) . ?
O3 C3 1.112(6) . ?
O4 C4 1.112(6) . ?
O5 C5 1.114(6) . ?
O6 C6 1.113(5) . ?
O7 C7 1.112(5) . ?
O8 C8 1.126(5) . ?
O9 C9 1.113(5) . ?
O10 C10 1.110(5) . ?
O1_1 C1_1 1.373(5) . ?
C1_1 C3_1 1.527(6) . ?
C1_1 C2_1 1.533(6) . ?
C1_1 C4_1 1.547(6) . ?
C2_1 F3_1 1.338(6) . ?
C2_1 F2_1 1.343(5) . ?
C2_1 F1_1 1.355(5) . ?
C3_1 F4_1 1.329(6) . ?
C3_1 F5_1 1.354(6) . ?
C3_1 F6_1 1.366(6) . ?
C4_1 F9_1 1.319(5) . ?
C4_1 F8_1 1.344(6) . ?
C4_1 F7_1 1.348(6) . ?
O1_2 C1_2 1.362(5) . ?
C1_2 C4_2 1.536(6) . ?
C1_2 C3_2 1.546(6) . ?
C1_2 C2_2 1.557(6) . ?
C2_2 F3_2 1.333(5) . ?
C2_2 F1_2 1.334(5) . ?
C2_2 F2_2 1.341(5) . ?
C3_2 F4_2 1.314(5) . ?
C3_2 F6_2 1.329(5) . ?
C3_2 F5_2 1.353(5) . ?
C4_2 F9_2 1.329(5) . ?
C4_2 F8_2 1.332(5) . ?
C4_2 F7_2 1.337(5) . ?
O1_3 C1_3 1.370(5) . ?
C1_3 C2_3 1.547(6) . ?
C1_3 C3_3 1.552(6) . ?
C1_3 C4_3 1.555(6) . ?
C2_3 F2_3 1.337(5) . ?
C2_3 F3_3 1.340(6) . ?
C2_3 F1_3 1.361(6) . ?
C3_3 F4_3 1.309(6) . ?
C3_3 F6_3 1.328(5) . ?
C3_3 F5_3 1.338(6) . ?
C4_3 F7_3 1.332(6) . ?
C4_3 F9_3 1.341(6) . ?
C4_3 F8_3 1.342(6) . ?
O1_4 C1_4 1.366(5) . ?
C1_4 C2_4 1.536(6) . ?
C1_4 C3_4 1.541(5) . ?
C1_4 C4_4 1.546(6) . ?
C2_4 F3_4 1.319(6) . ?
C2_4 F1_4 1.348(6) . ?
C2_4 F2_4 1.356(5) . ?
C3_4 F5_4 1.330(6) . ?
C3_4 F4_4 1.331(5) . ?
C3_4 F6_4 1.355(5) . ?
C4_4 F9_4 1.315(5) . ?
C4_4 F7_4 1.328(5) . ?
C4_4 F8_4 1.365(5) . ?
O1_5 C1_5 1.355(5) . ?
C1_5 C3_5 1.541(6) . ?
C1_5 C2_5 1.548(6) . ?
C1_5 C4_5 1.555(6) . ?
C2_5 F3_5 1.326(5) . ?
C2_5 F2_5 1.336(5) . ?
C2_5 F1_5 1.339(6) . ?
C3_5 F4_5 1.328(6) . ?
C3_5 F5_5 1.329(6) . ?
C3_5 F6_5 1.340(6) . ?
C4_5 F7_5 1.329(5) . ?
C4_5 F9_5 1.333(5) . ?
C4_5 F8_5 1.348(5) . ?
O1_6 C1_6 1.358(5) . ?
C1_6 C2_6 1.539(6) . ?
C1_6 C4_6 1.551(6) . ?
C1_6 C3_6 1.553(6) . ?
C2_6 F2_6 1.332(6) . ?
C2_6 F3_6 1.341(6) . ?
C2_6 F1_6 1.344(6) . ?
C3_6 F6_6 1.330(6) . ?
C3_6 F5_6 1.337(6) . ?
C3_6 F4_6 1.356(6) . ?
C4_6 F8_6 1.333(5) . ?
C4_6 F9_6 1.334(5) . ?
C4_6 F7_6 1.334(6) . ?
O1_7 C1_7 1.361(5) . ?
C1_7 C2_7 1.542(7) . ?
C1_7 C3_7 1.548(6) . ?
C1_7 C4_7 1.549(6) . ?
C2_7 F3_7 1.332(7) . ?
C2_7 F1_7 1.332(7) . ?
C2_7 F2_7 1.340(6) . ?
C3_7 F4_7 1.327(6) . ?
C3_7 F5_7 1.330(6) . ?
C3_7 F6_7 1.357(5) . ?
C4_7 F9_7 1.328(6) . ?
C4_7 F8_7 1.344(6) . ?
C4_7 F7_7 1.349(6) . ?
O1_8 C1_8 1.354(5) . ?
C1_8 C3_8 1.545(6) . ?
C1_8 C2_8 1.551(6) . ?
C1_8 C4_8 1.565(6) . ?
C2_8 F3_8 1.312(6) . ?
C2_8 F1_8 1.324(6) . ?
C2_8 F2_8 1.337(5) . ?
C3_8 F5_8 1.328(5) . ?
C3_8 F4_8 1.334(5) . ?
C3_8 F6_8 1.342(5) . ?
C4_8 F9_8 1.312(6) . ?
C4_8 F8_8 1.331(6) . ?
C4_8 F7_8 1.335(6) . ?
O1_9 C1_9 1.364(10) . ?
C1_9 C3_9 1.542(9) . ?
C1_9 C4_9 1.548(10) . ?
C1_9 C2_9 1.561(10) . ?
C2_9 F3_9 1.328(10) . ?
C2_9 F1_9 1.343(11) . ?
C2_9 F2_9 1.343(10) . ?
C3_9 F4_9 1.328(9) . ?
C3_9 F6_9 1.330(9) . ?
C3_9 F5_9 1.339(11) . ?
C4_9 F9_9 1.315(9) . ?
C4_9 F8_9 1.325(10) . ?
C4_9 F7_9 1.343(10) . ?
O1_10 C1_10 1.361(11) . ?
C1_10 C2_10 1.543(10) . ?
C1_10 C3_10 1.549(11) . ?
C1_10 C4_10 1.552(11) . ?
C2_10 F3_10 1.325(12) . ?
C2_10 F1_10 1.327(10) . ?
C2_10 F2_10 1.335(10) . ?
C3_10 F4_10 1.335(11) . ?
C3_10 F6_10 1.340(11) . ?
C3_10 F5_10 1.352(11) . ?
C4_10 F8_10 1.331(11) . ?
C4_10 F9_10 1.334(11) . ?
C4_10 F7_10 1.341(10) . ?
O1_12 C1_12 1.357(9) . ?
C1_12 C2_12 1.548(8) . ?
C1_12 C3_12 1.549(9) . ?
C1_12 C4_12 1.559(9) . ?
C2_12 F2_12 1.316(8) . ?
C2_12 F3_12 1.330(9) . ?
C2_12 F1_12 1.333(7) . ?
C3_12 F4_12 1.324(9) . ?
C3_12 F6_12 1.328(9) . ?
C3_12 F5_12 1.348(9) . ?
C4_12 F7_12 1.324(9) . ?
C4_12 F8_12 1.330(11) . ?
C4_12 F9_12 1.331(10) . ?
O1_13 C1_13 1.358(12) . ?
C1_13 C2_13 1.548(11) . ?
C1_13 C3_13 1.550(11) . ?
C1_13 C4_13 1.555(11) . ?
C2_13 F2_13 1.322(12) . ?
C2_13 F1_13 1.332(11) . ?
C2_13 F3_13 1.337(11) . ?
C3_13 F4_13 1.322(12) . ?
C3_13 F6_13 1.327(11) . ?
C3_13 F5_13 1.338(11) . ?
C4_13 F7_13 1.318(11) . ?
C4_13 F8_13 1.335(12) . ?
C4_13 F9_13 1.339(12) . ?
F1_14 C1_14 1.363(5) . ?
F2_14 C2_14 1.328(5) . ?
F3_14 C3_14 1.343(5) . ?
F4_14 C4_14 1.356(5) . ?
C1_14 C6_14 1.344(6) . ?
C1_14 C2_14 1.372(6) . ?
C2_14 C3_14 1.397(6) . ?
C3_14 C4_14 1.372(6) . ?
C4_14 C5_14 1.377(7) . ?
C5_14 C6_14 1.380(5) . ?
C5_14 H5_14 0.9500 . ?
C6_14 H6_14 0.9500 . ?
F1_17 C1_17 1.366(11) . ?
F2_17 C2_17 1.373(11) . ?
F3_17 C3_17 1.360(12) . ?
F4_17 C4_17 1.387(11) . ?
C1_17 C2_17 1.364(12) . ?
C1_17 C6_17 1.368(12) . ?
C2_17 C3_17 1.353(11) . ?
C3_17 C4_17 1.384(11) . ?
C4_17 C5_17 1.385(12) . ?
C5_17 C6_17 1.363(12) . ?
C5_17 H5_17 0.9500 . ?
C6_17 H6_17 0.9500 . ?
O1_19 C1_19 1.352(7) . ?
C1_19 C3_19 1.540(8) . ?
C1_19 C2_19 1.553(8) . ?
C1_19 C4_19 1.560(8) . ?
C2_19 F3_19 1.325(8) . ?
C2_19 F1_19 1.326(8) . ?
C2_19 F2_19 1.340(8) . ?
C3_19 F5_19 1.326(8) . ?
C3_19 F6_19 1.333(8) . ?
C3_19 F4_19 1.336(8) . ?
C4_19 F9_19 1.323(7) . ?
C4_19 F7_19 1.323(8) . ?
C4_19 F8_19 1.341(8) . ?
O1_20 C1_20 1.359(13) . ?
C1_20 C3_20 1.545(12) . ?
C1_20 C2_20 1.547(12) . ?
C1_20 C4_20 1.556(12) . ?
C2_20 F3_20 1.331(13) . ?
C2_20 F1_20 1.332(13) . ?
C2_20 F2_20 1.343(13) . ?
C3_20 F6_20 1.331(13) . ?
C3_20 F4_20 1.335(13) . ?
C3_20 F5_20 1.335(13) . ?
C4_20 F8_20 1.331(13) . ?
C4_20 F9_20 1.333(13) . ?
C4_20 F7_20 1.337(13) . ?
F1_21 C1_21 1.358(13) . ?
F2_21 C2_21 1.357(12) . ?
F3_21 C3_21 1.385(12) . ?
F4_21 C4_21 1.366(13) . ?
C1_21 C2_21 1.365(12) . ?
C1_21 C6_21 1.366(12) . ?
C2_21 C3_21 1.372(12) . ?
C3_21 C4_21 1.367(12) . ?
C4_21 C5_21 1.356(12) . ?
C5_21 C6_21 1.377(13) . ?
C5_21 H5_21 0.9500 . ?
C6_21 H6_21 0.9500 . ?
O1_15 C1_15 1.361(5) . ?
C1_15 C3_15 1.547(6) . ?
C1_15 C2_15 1.551(6) . ?
C1_15 C4_15 1.553(6) . ?
C2_15 F3_15 1.326(5) . ?
C2_15 F1_15 1.334(6) . ?
C2_15 F2_15 1.342(5) . ?
C3_15 F4_15 1.332(5) . ?
C3_15 F6_15 1.338(5) . ?
C3_15 F5_15 1.340(5) . ?
C4_15 F9_15 1.322(6) . ?
C4_15 F8_15 1.339(5) . ?
C4_15 F7_15 1.358(6) . ?

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
C3 Ru1 C2 89.54(19) . . ?
C3 Ru1 C4 89.84(18) . . ?
C2 Ru1 C4 173.91(14) . . ?
C3 Ru1 C5 175.47(16) . . ?
C2 Ru1 C5 90.32(18) . . ?
C4 Ru1 C5 89.82(18) . . ?
C3 Ru1 C1 92.5(2) . . ?
C2 Ru1 C1 92.7(2) . . ?
C4 Ru1 C1 93.3(2) . . ?
C5 Ru1 C1 92.0(2) . . ?
C3 Ru1 Ru2 87.59(14) . . ?
C2 Ru1 Ru2 86.69(15) . . ?
C4 Ru1 Ru2 87.24(14) . . ?
C5 Ru1 Ru2 87.88(14) . . ?
C1 Ru1 Ru2 179.41(16) . . ?
C7 Ru2 C10 89.57(17) . . ?
C7 Ru2 C6 92.8(2) . . ?
C10 Ru2 C6 93.0(2) . . ?
C7 Ru2 C8 90.16(17) . . ?
C10 Ru2 C8 174.66(15) . . ?
C6 Ru2 C8 92.4(2) . . ?
C7 Ru2 C9 174.19(15) . . ?
C10 Ru2 C9 90.49(17) . . ?
C6 Ru2 C9 93.0(2) . . ?
C8 Ru2 C9 89.24(18) . . ?
C7 Ru2 Ru1 86.41(14) . . ?
C10 Ru2 Ru1 86.41(14) . . ?
C6 Ru2 Ru1 179.02(15) . . ?
C8 Ru2 Ru1 88.24(15) . . ?
C9 Ru2 Ru1 87.80(14) . . ?
O1_1 Al1 O1_2 114.27(18) . . ?
O1_1 Al1 O1_3 112.40(18) . . ?
O1_2 Al1 O1_3 114.27(18) . . ?
O1_1 Al1 F1 105.25(15) . . ?
O1_2 Al1 F1 104.06(14) . . ?
O1_3 Al1 F1 105.35(13) . . ?
O1_5 Al2 O1_4 116.23(18) . . ?
O1_5 Al2 O1_6 113.16(19) . . ?
O1_4 Al2 O1_6 112.01(18) . . ?
O1_5 Al2 F2 102.16(13) . . ?
O1_4 Al2 F2 107.47(13) . . ?
O1_6 Al2 F2 104.40(13) . . ?
O1_9 Al3 O1_8 109.6(6) . . ?
O1_10 Al3 O1_8 114.8(8) . . ?
O1_9 Al3 O1_7 116.6(6) . . ?
O1_10 Al3 O1_7 108.6(7) . . ?
O1_8 Al3 O1_7 117.05(19) . . ?
O1_9 Al3 F3 103.1(7) . . ?
O1_10 Al3 F3 106.2(8) . . ?
O1_8 Al3 F3 107.81(14) . . ?
O1_7 Al3 F3 100.94(14) . . ?
O1_19 Al4 O1_15 111.9(4) . . ?
O1_13 Al4 O1_15 112.6(9) . . ?
O1_19 Al4 O1_12 117.3(7) . . ?
O1_15 Al4 O1_12 112.7(5) . . ?
O1_13 Al4 O1_20 114.2(15) . . ?
O1_15 Al4 O1_20 112.3(13) . . ?
O1_19 Al4 F4 106.9(5) . . ?
O1_13 Al4 F4 109.4(10) . . ?
O1_15 Al4 F4 105.23(14) . . ?
O1_12 Al4 F4 101.3(5) . . ?
O1_20 Al4 F4 102.1(14) . . ?
Al1 F1 Al1 180.00(8) . 2 ?
Al2 F2 Al2 180.0 . 2_667 ?
Al3 F3 Al3 180.0 2_666 . ?
Al4 F4 Al4 180.0 2_756 . ?
O5 C5 Ru1 179.4(5) . . ?
O6 C6 Ru2 179.2(5) . . ?
O1 C1 Ru1 178.6(5) . . ?
O2 C2 Ru1 177.8(5) . . ?
O3 C3 Ru1 178.2(4) . . ?
O4 C4 Ru1 178.0(4) . . ?
O7 C7 Ru2 177.9(4) . . ?
O8 C8 Ru2 178.7(5) . . ?
O9 C9 Ru2 178.4(4) . . ?
O10 C10 Ru2 178.7(4) . . ?
C1_1 O1_1 Al1 150.6(3) . . ?
O1_1 C1_1 C3_1 109.5(4) . . ?
O1_1 C1_1 C2_1 109.7(4) . . ?
C3_1 C1_1 C2_1 110.1(4) . . ?
O1_1 C1_1 C4_1 107.1(4) . . ?
C3_1 C1_1 C4_1 110.9(4) . . ?
C2_1 C1_1 C4_1 109.5(4) . . ?
F3_1 C2_1 F2_1 106.4(4) . . ?
F3_1 C2_1 F1_1 107.9(4) . . ?
F2_1 C2_1 F1_1 108.1(4) . . ?
F3_1 C2_1 C1_1 111.1(4) . . ?
F2_1 C2_1 C1_1 112.4(4) . . ?
F1_1 C2_1 C1_1 110.8(4) . . ?
F4_1 C3_1 F5_1 109.2(4) . . ?
F4_1 C3_1 F6_1 105.8(4) . . ?
F5_1 C3_1 F6_1 107.8(4) . . ?
F4_1 C3_1 C1_1 112.2(4) . . ?
F5_1 C3_1 C1_1 110.8(4) . . ?
F6_1 C3_1 C1_1 110.8(4) . . ?
F9_1 C4_1 F8_1 107.8(4) . . ?
F9_1 C4_1 F7_1 108.9(4) . . ?
F8_1 C4_1 F7_1 108.2(4) . . ?
F9_1 C4_1 C1_1 110.8(4) . . ?
F8_1 C4_1 C1_1 110.7(4) . . ?
F7_1 C4_1 C1_1 110.3(4) . . ?
C1_2 O1_2 Al1 148.1(3) . . ?
O1_2 C1_2 C4_2 108.3(4) . . ?
O1_2 C1_2 C3_2 110.6(4) . . ?
C4_2 C1_2 C3_2 109.0(3) . . ?
O1_2 C1_2 C2_2 109.5(3) . . ?
C4_2 C1_2 C2_2 109.6(4) . . ?
C3_2 C1_2 C2_2 109.9(4) . . ?
F3_2 C2_2 F1_2 108.2(4) . . ?
F3_2 C2_2 F2_2 106.1(4) . . ?
F1_2 C2_2 F2_2 107.3(4) . . ?
F3_2 C2_2 C1_2 111.0(4) . . ?
F1_2 C2_2 C1_2 111.5(4) . . ?
F2_2 C2_2 C1_2 112.6(4) . . ?
F4_2 C3_2 F6_2 108.6(4) . . ?
F4_2 C3_2 F5_2 107.2(4) . . ?
F6_2 C3_2 F5_2 107.5(4) . . ?
F4_2 C3_2 C1_2 111.6(4) . . ?
F6_2 C3_2 C1_2 112.0(4) . . ?
F5_2 C3_2 C1_2 109.7(3) . . ?
F9_2 C4_2 F8_2 107.5(4) . . ?
F9_2 C4_2 F7_2 106.3(4) . . ?
F8_2 C4_2 F7_2 107.2(4) . . ?
F9_2 C4_2 C1_2 111.9(4) . . ?
F8_2 C4_2 C1_2 112.3(4) . . ?
F7_2 C4_2 C1_2 111.3(4) . . ?
C1_3 O1_3 Al1 144.0(3) . . ?
O1_3 C1_3 C2_3 107.0(4) . . ?
O1_3 C1_3 C3_3 109.7(4) . . ?
C2_3 C1_3 C3_3 109.7(4) . . ?
O1_3 C1_3 C4_3 111.4(4) . . ?
C2_3 C1_3 C4_3 109.8(4) . . ?
C3_3 C1_3 C4_3 109.2(4) . . ?
F2_3 C2_3 F3_3 108.2(4) . . ?
F2_3 C2_3 F1_3 107.9(4) . . ?
F3_3 C2_3 F1_3 106.0(4) . . ?
F2_3 C2_3 C1_3 112.8(4) . . ?
F3_3 C2_3 C1_3 112.2(4) . . ?
F1_3 C2_3 C1_3 109.4(4) . . ?
F4_3 C3_3 F6_3 109.2(4) . . ?
F4_3 C3_3 F5_3 106.9(4) . . ?
F6_3 C3_3 F5_3 108.8(4) . . ?
F4_3 C3_3 C1_3 110.4(4) . . ?
F6_3 C3_3 C1_3 111.2(4) . . ?
F5_3 C3_3 C1_3 110.3(4) . . ?
F7_3 C4_3 F9_3 108.8(4) . . ?
F7_3 C4_3 F8_3 108.2(4) . . ?
F9_3 C4_3 F8_3 108.1(4) . . ?
F7_3 C4_3 C1_3 110.7(4) . . ?
F9_3 C4_3 C1_3 109.7(4) . . ?
F8_3 C4_3 C1_3 111.2(4) . . ?
C1_4 O1_4 Al2 149.2(3) . . ?
O1_4 C1_4 C2_4 109.4(4) . . ?
O1_4 C1_4 C3_4 108.9(3) . . ?
C2_4 C1_4 C3_4 109.2(4) . . ?
O1_4 C1_4 C4_4 109.6(4) . . ?
C2_4 C1_4 C4_4 109.9(4) . . ?
C3_4 C1_4 C4_4 109.9(4) . . ?
F3_4 C2_4 F1_4 107.8(4) . . ?
F3_4 C2_4 F2_4 107.2(4) . . ?
F1_4 C2_4 F2_4 106.8(4) . . ?
F3_4 C2_4 C1_4 111.7(4) . . ?
F1_4 C2_4 C1_4 109.8(4) . . ?
F2_4 C2_4 C1_4 113.3(4) . . ?
F5_4 C3_4 F4_4 107.3(4) . . ?
F5_4 C3_4 F6_4 107.1(4) . . ?
F4_4 C3_4 F6_4 107.8(4) . . ?
F5_4 C3_4 C1_4 111.5(4) . . ?
F4_4 C3_4 C1_4 111.5(4) . . ?
F6_4 C3_4 C1_4 111.4(4) . . ?
F9_4 C4_4 F7_4 107.6(4) . . ?
F9_4 C4_4 F8_4 107.3(4) . . ?
F7_4 C4_4 F8_4 106.7(4) . . ?
F9_4 C4_4 C1_4 111.0(4) . . ?
F7_4 C4_4 C1_4 111.9(4) . . ?
F8_4 C4_4 C1_4 112.1(4) . . ?
C1_5 O1_5 Al2 149.5(3) . . ?
O1_5 C1_5 C3_5 108.1(4) . . ?
O1_5 C1_5 C2_5 111.6(4) . . ?
C3_5 C1_5 C2_5 109.1(4) . . ?
O1_5 C1_5 C4_5 109.9(4) . . ?
C3_5 C1_5 C4_5 109.4(4) . . ?
C2_5 C1_5 C4_5 108.8(3) . . ?
F3_5 C2_5 F2_5 108.5(4) . . ?
F3_5 C2_5 F1_5 106.3(4) . . ?
F2_5 C2_5 F1_5 106.7(4) . . ?
F3_5 C2_5 C1_5 111.5(4) . . ?
F2_5 C2_5 C1_5 112.8(4) . . ?
F1_5 C2_5 C1_5 110.7(4) . . ?
F4_5 C3_5 F5_5 107.0(4) . . ?
F4_5 C3_5 F6_5 106.6(5) . . ?
F5_5 C3_5 F6_5 107.9(4) . . ?
F4_5 C3_5 C1_5 111.5(4) . . ?
F5_5 C3_5 C1_5 111.1(5) . . ?
F6_5 C3_5 C1_5 112.4(4) . . ?
F7_5 C4_5 F9_5 107.2(4) . . ?
F7_5 C4_5 F8_5 108.1(4) . . ?
F9_5 C4_5 F8_5 107.1(4) . . ?
F7_5 C4_5 C1_5 112.4(4) . . ?
F9_5 C4_5 C1_5 110.1(4) . . ?
F8_5 C4_5 C1_5 111.7(4) . . ?
C1_6 O1_6 Al2 146.6(3) . . ?
O1_6 C1_6 C2_6 110.8(4) . . ?
O1_6 C1_6 C4_6 111.3(4) . . ?
C2_6 C1_6 C4_6 109.9(4) . . ?
O1_6 C1_6 C3_6 106.4(4) . . ?
C2_6 C1_6 C3_6 109.6(4) . . ?
C4_6 C1_6 C3_6 108.8(4) . . ?
F2_6 C2_6 F3_6 110.2(5) . . ?
F2_6 C2_6 F1_6 107.2(5) . . ?
F3_6 C2_6 F1_6 108.5(4) . . ?
F2_6 C2_6 C1_6 111.2(4) . . ?
F3_6 C2_6 C1_6 110.4(5) . . ?
F1_6 C2_6 C1_6 109.3(4) . . ?
F6_6 C3_6 F5_6 106.9(4) . . ?
F6_6 C3_6 F4_6 107.3(4) . . ?
F5_6 C3_6 F4_6 108.2(4) . . ?
F6_6 C3_6 C1_6 112.8(4) . . ?
F5_6 C3_6 C1_6 111.5(4) . . ?
F4_6 C3_6 C1_6 109.9(4) . . ?
F8_6 C4_6 F9_6 108.7(4) . . ?
F8_6 C4_6 F7_6 106.3(4) . . ?
F9_6 C4_6 F7_6 107.6(4) . . ?
F8_6 C4_6 C1_6 112.6(4) . . ?
F9_6 C4_6 C1_6 110.7(4) . . ?
F7_6 C4_6 C1_6 110.7(4) . . ?
C1_7 O1_7 Al3 149.3(3) . . ?
O1_7 C1_7 C2_7 108.1(4) . . ?
O1_7 C1_7 C3_7 109.7(4) . . ?
C2_7 C1_7 C3_7 110.5(4) . . ?
O1_7 C1_7 C4_7 110.7(4) . . ?
C2_7 C1_7 C4_7 109.1(4) . . ?
C3_7 C1_7 C4_7 108.7(4) . . ?
F3_7 C2_7 F1_7 108.6(5) . . ?
F3_7 C2_7 F2_7 107.8(5) . . ?
F1_7 C2_7 F2_7 107.4(5) . . ?
F3_7 C2_7 C1_7 110.7(4) . . ?
F1_7 C2_7 C1_7 110.6(5) . . ?
F2_7 C2_7 C1_7 111.6(4) . . ?
F4_7 C3_7 F5_7 108.4(4) . . ?
F4_7 C3_7 F6_7 107.3(4) . . ?
F5_7 C3_7 F6_7 106.5(4) . . ?
F4_7 C3_7 C1_7 110.7(4) . . ?
F5_7 C3_7 C1_7 111.7(4) . . ?
F6_7 C3_7 C1_7 112.1(4) . . ?
F9_7 C4_7 F8_7 108.1(4) . . ?
F9_7 C4_7 F7_7 107.0(5) . . ?
F8_7 C4_7 F7_7 106.8(4) . . ?
F9_7 C4_7 C1_7 111.9(4) . . ?
F8_7 C4_7 C1_7 111.7(4) . . ?
F7_7 C4_7 C1_7 111.0(4) . . ?
C1_8 O1_8 Al3 149.8(3) . . ?
O1_8 C1_8 C3_8 110.6(4) . . ?
O1_8 C1_8 C2_8 108.8(4) . . ?
C3_8 C1_8 C2_8 109.6(4) . . ?
O1_8 C1_8 C4_8 109.4(4) . . ?
C3_8 C1_8 C4_8 109.2(4) . . ?
C2_8 C1_8 C4_8 109.2(4) . . ?
F3_8 C2_8 F1_8 107.9(5) . . ?
F3_8 C2_8 F2_8 108.1(4) . . ?
F1_8 C2_8 F2_8 107.8(4) . . ?
F3_8 C2_8 C1_8 110.9(4) . . ?
F1_8 C2_8 C1_8 111.2(4) . . ?
F2_8 C2_8 C1_8 110.9(4) . . ?
F5_8 C3_8 F4_8 107.5(4) . . ?
F5_8 C3_8 F6_8 106.7(4) . . ?
F4_8 C3_8 F6_8 106.9(4) . . ?
F5_8 C3_8 C1_8 111.7(4) . . ?
F4_8 C3_8 C1_8 110.9(4) . . ?
F6_8 C3_8 C1_8 112.9(4) . . ?
F9_8 C4_8 F8_8 108.3(4) . . ?
F9_8 C4_8 F7_8 107.8(4) . . ?
F8_8 C4_8 F7_8 107.9(4) . . ?
F9_8 C4_8 C1_8 110.7(4) . . ?
F8_8 C4_8 C1_8 111.9(4) . . ?
F7_8 C4_8 C1_8 110.0(4) . . ?
C1_9 O1_9 Al3 149.6(15) . . ?
O1_9 C1_9 C3_9 112.6(11) . . ?
O1_9 C1_9 C4_9 106.4(9) . . ?
C3_9 C1_9 C4_9 109.4(7) . . ?
O1_9 C1_9 C2_9 108.0(10) . . ?
C3_9 C1_9 C2_9 109.8(7) . . ?
C4_9 C1_9 C2_9 110.5(7) . . ?
F3_9 C2_9 F1_9 109.4(9) . . ?
F3_9 C2_9 F2_9 108.0(10) . . ?
F1_9 C2_9 F2_9 107.7(9) . . ?
F3_9 C2_9 C1_9 109.9(7) . . ?
F1_9 C2_9 C1_9 110.7(8) . . ?
F2_9 C2_9 C1_9 111.0(9) . . ?
F4_9 C3_9 F6_9 108.7(7) . . ?
F4_9 C3_9 F5_9 107.3(9) . . ?
F6_9 C3_9 F5_9 105.6(10) . . ?
F4_9 C3_9 C1_9 112.4(7) . . ?
F6_9 C3_9 C1_9 112.5(8) . . ?
F5_9 C3_9 C1_9 109.9(9) . . ?
F9_9 C4_9 F8_9 104.8(9) . . ?
F9_9 C4_9 F7_9 109.2(9) . . ?
F8_9 C4_9 F7_9 107.2(11) . . ?
F9_9 C4_9 C1_9 113.2(8) . . ?
F8_9 C4_9 C1_9 112.4(9) . . ?
F7_9 C4_9 C1_9 109.7(9) . . ?
C1_10 O1_10 Al3 149.3(18) . . ?
O1_10 C1_10 C2_10 107.3(12) . . ?
O1_10 C1_10 C3_10 111.3(11) . . ?
C2_10 C1_10 C3_10 109.6(8) . . ?
O1_10 C1_10 C4_10 107.7(13) . . ?
C2_10 C1_10 C4_10 110.4(8) . . ?
C3_10 C1_10 C4_10 110.4(9) . . ?
F3_10 C2_10 F1_10 109.2(11) . . ?
F3_10 C2_10 F2_10 110.2(12) . . ?
F1_10 C2_10 F2_10 105.5(8) . . ?
F3_10 C2_10 C1_10 110.9(11) . . ?
F1_10 C2_10 C1_10 109.9(8) . . ?
F2_10 C2_10 C1_10 111.0(9) . . ?
F4_10 C3_10 F6_10 108.9(12) . . ?
F4_10 C3_10 F5_10 109.5(10) . . ?
F6_10 C3_10 F5_10 107.4(13) . . ?
F4_10 C3_10 C1_10 108.6(10) . . ?
F6_10 C3_10 C1_10 111.7(11) . . ?
F5_10 C3_10 C1_10 110.6(8) . . ?
F8_10 C4_10 F9_10 106.8(12) . . ?
F8_10 C4_10 F7_10 107.3(10) . . ?
F9_10 C4_10 F7_10 110.5(11) . . ?
F8_10 C4_10 C1_10 111.2(9) . . ?
F9_10 C4_10 C1_10 109.3(10) . . ?
F7_10 C4_10 C1_10 111.6(9) . . ?
C1_12 O1_12 Al4 147.1(13) . . ?
O1_12 C1_12 C2_12 110.7(9) . . ?
O1_12 C1_12 C3_12 110.2(9) . . ?
C2_12 C1_12 C3_12 109.8(6) . . ?
O1_12 C1_12 C4_12 106.4(9) . . ?
C2_12 C1_12 C4_12 109.2(6) . . ?
C3_12 C1_12 C4_12 110.5(7) . . ?
F2_12 C2_12 F3_12 107.3(7) . . ?
F2_12 C2_12 F1_12 106.9(5) . . ?
F3_12 C2_12 F1_12 108.2(7) . . ?
F2_12 C2_12 C1_12 113.5(6) . . ?
F3_12 C2_12 C1_12 109.6(6) . . ?
F1_12 C2_12 C1_12 111.2(6) . . ?
F4_12 C3_12 F6_12 109.8(8) . . ?
F4_12 C3_12 F5_12 106.3(7) . . ?
F6_12 C3_12 F5_12 107.7(8) . . ?
F4_12 C3_12 C1_12 110.4(8) . . ?
F6_12 C3_12 C1_12 112.3(7) . . ?
F5_12 C3_12 C1_12 110.3(6) . . ?
F7_12 C4_12 F8_12 107.7(10) . . ?
F7_12 C4_12 F9_12 109.9(8) . . ?
F8_12 C4_12 F9_12 107.5(10) . . ?
F7_12 C4_12 C1_12 109.3(6) . . ?
F8_12 C4_12 C1_12 111.7(10) . . ?
F9_12 C4_12 C1_12 110.7(9) . . ?
C1_13 O1_13 Al4 144(2) . . ?
O1_13 C1_13 C2_13 111.5(14) . . ?
O1_13 C1_13 C3_13 109.9(14) . . ?
C2_13 C1_13 C3_13 110.2(9) . . ?
O1_13 C1_13 C4_13 107.7(14) . . ?
C2_13 C1_13 C4_13 108.9(9) . . ?
C3_13 C1_13 C4_13 108.6(9) . . ?
F2_13 C2_13 F1_13 104.5(12) . . ?
F2_13 C2_13 F3_13 108.0(13) . . ?
F1_13 C2_13 F3_13 110.0(12) . . ?
F2_13 C2_13 C1_13 114.7(10) . . ?
F1_13 C2_13 C1_13 109.1(9) . . ?
F3_13 C2_13 C1_13 110.4(11) . . ?
F4_13 C3_13 F6_13 108.2(12) . . ?
F4_13 C3_13 F5_13 108.2(13) . . ?
F6_13 C3_13 F5_13 107.6(11) . . ?
F4_13 C3_13 C1_13 111.4(13) . . ?
F6_13 C3_13 C1_13 110.1(10) . . ?
F5_13 C3_13 C1_13 111.2(9) . . ?
F7_13 C4_13 F8_13 108.9(15) . . ?
F7_13 C4_13 F9_13 107.0(12) . . ?
F8_13 C4_13 F9_13 106.1(16) . . ?
F7_13 C4_13 C1_13 111.1(9) . . ?
F8_13 C4_13 C1_13 111.5(15) . . ?
F9_13 C4_13 C1_13 112.0(14) . . ?
C6_14 C1_14 F1_14 121.2(4) . . ?
C6_14 C1_14 C2_14 122.8(4) . . ?
F1_14 C1_14 C2_14 116.0(4) . . ?
F2_14 C2_14 C1_14 122.3(4) . . ?
F2_14 C2_14 C3_14 119.9(4) . . ?
C1_14 C2_14 C3_14 117.8(4) . . ?
F3_14 C3_14 C4_14 121.6(4) . . ?
F3_14 C3_14 C2_14 118.7(4) . . ?
C4_14 C3_14 C2_14 119.6(4) . . ?
F4_14 C4_14 C3_14 118.2(4) . . ?
F4_14 C4_14 C5_14 120.8(5) . . ?
C3_14 C4_14 C5_14 121.0(4) . . ?
C4_14 C5_14 C6_14 119.0(5) . . ?
C4_14 C5_14 H5_14 120.5 . . ?
C6_14 C5_14 H5_14 120.5 . . ?
C1_14 C6_14 C5_14 119.8(5) . . ?
C1_14 C6_14 H6_14 120.1 . . ?
C5_14 C6_14 H6_14 120.1 . . ?
C2_17 C1_17 F1_17 115.8(11) . . ?
C2_17 C1_17 C6_17 122.4(11) . . ?
F1_17 C1_17 C6_17 121.8(12) . . ?
C3_17 C2_17 C1_17 118.5(11) . . ?
C3_17 C2_17 F2_17 121.2(11) . . ?
C1_17 C2_17 F2_17 120.2(10) . . ?
C2_17 C3_17 F3_17 121.1(11) . . ?
C2_17 C3_17 C4_17 121.1(11) . . ?
F3_17 C3_17 C4_17 117.9(10) . . ?
C3_17 C4_17 C5_17 119.0(11) . . ?
C3_17 C4_17 F4_17 116.0(11) . . ?
C5_17 C4_17 F4_17 124.8(11) . . ?
C6_17 C5_17 C4_17 120.3(12) . . ?
C6_17 C5_17 H5_17 119.9 . . ?
C4_17 C5_17 H5_17 119.9 . . ?
C5_17 C6_17 C1_17 118.7(13) . . ?
C5_17 C6_17 H6_17 120.6 . . ?
C1_17 C6_17 H6_17 120.6 . . ?
C1_19 O1_19 Al4 152.6(9) . . ?
O1_19 C1_19 C3_19 110.9(7) . . ?
O1_19 C1_19 C2_19 108.6(7) . . ?
C3_19 C1_19 C2_19 109.9(6) . . ?
O1_19 C1_19 C4_19 109.8(7) . . ?
C3_19 C1_19 C4_19 108.6(5) . . ?
C2_19 C1_19 C4_19 109.0(5) . . ?
F3_19 C2_19 F1_19 106.9(6) . . ?
F3_19 C2_19 F2_19 107.1(7) . . ?
F1_19 C2_19 F2_19 107.2(7) . . ?
F3_19 C2_19 C1_19 111.1(6) . . ?
F1_19 C2_19 C1_19 112.2(6) . . ?
F2_19 C2_19 C1_19 112.0(6) . . ?
F5_19 C3_19 F6_19 107.5(7) . . ?
F5_19 C3_19 F4_19 106.6(7) . . ?
F6_19 C3_19 F4_19 107.6(7) . . ?
F5_19 C3_19 C1_19 111.0(6) . . ?
F6_19 C3_19 C1_19 113.7(7) . . ?
F4_19 C3_19 C1_19 110.1(6) . . ?
F9_19 C4_19 F7_19 107.0(6) . . ?
F9_19 C4_19 F8_19 107.5(7) . . ?
F7_19 C4_19 F8_19 109.0(6) . . ?
F9_19 C4_19 C1_19 110.5(6) . . ?
F7_19 C4_19 C1_19 110.6(6) . . ?
F8_19 C4_19 C1_19 112.0(7) . . ?
C1_20 O1_20 Al4 147(3) . . ?
O1_20 C1_20 C3_20 109.6(17) . . ?
O1_20 C1_20 C2_20 112.0(18) . . ?
C3_20 C1_20 C2_20 108.9(11) . . ?
O1_20 C1_20 C4_20 106.4(17) . . ?
C3_20 C1_20 C4_20 110.4(11) . . ?
C2_20 C1_20 C4_20 109.5(11) . . ?
F3_20 C2_20 F1_20 107.2(14) . . ?
F3_20 C2_20 F2_20 107.1(15) . . ?
F1_20 C2_20 F2_20 108.3(15) . . ?
F3_20 C2_20 C1_20 112.0(13) . . ?
F1_20 C2_20 C1_20 111.0(13) . . ?
F2_20 C2_20 C1_20 111.1(14) . . ?
F6_20 C3_20 F4_20 106.9(15) . . ?
F6_20 C3_20 F5_20 108.3(16) . . ?
F4_20 C3_20 F5_20 107.7(14) . . ?
F6_20 C3_20 C1_20 112.5(16) . . ?
F4_20 C3_20 C1_20 109.3(13) . . ?
F5_20 C3_20 C1_20 111.8(13) . . ?
F8_20 C4_20 F9_20 107.2(15) . . ?
F8_20 C4_20 F7_20 108.8(14) . . ?
F9_20 C4_20 F7_20 109.8(15) . . ?
F8_20 C4_20 C1_20 111.9(14) . . ?
F9_20 C4_20 C1_20 109.3(13) . . ?
F7_20 C4_20 C1_20 109.8(12) . . ?
F1_21 C1_21 C2_21 125.7(13) . . ?
F1_21 C1_21 C6_21 114.9(13) . . ?
C2_21 C1_21 C6_21 119.3(13) . . ?
F2_21 C2_21 C1_21 122.5(13) . . ?
F2_21 C2_21 C3_21 118.4(13) . . ?
C1_21 C2_21 C3_21 119.0(12) . . ?
C4_21 C3_21 C2_21 122.1(13) . . ?
C4_21 C3_21 F3_21 113.7(12) . . ?
C2_21 C3_21 F3_21 124.2(13) . . ?
C5_21 C4_21 F4_21 123.7(14) . . ?
C5_21 C4_21 C3_21 118.4(13) . . ?
F4_21 C4_21 C3_21 117.9(13) . . ?
C4_21 C5_21 C6_21 120.2(15) . . ?
C4_21 C5_21 H5_21 119.9 . . ?
C6_21 C5_21 H5_21 119.9 . . ?
C1_21 C6_21 C5_21 120.9(15) . . ?
C1_21 C6_21 H6_21 119.5 . . ?
C5_21 C6_21 H6_21 119.5 . . ?
C1_15 O1_15 Al4 147.5(3) . . ?
O1_15 C1_15 C3_15 109.5(4) . . ?
O1_15 C1_15 C2_15 107.7(4) . . ?
C3_15 C1_15 C2_15 109.3(4) . . ?
O1_15 C1_15 C4_15 111.0(4) . . ?
C3_15 C1_15 C4_15 109.8(4) . . ?
C2_15 C1_15 C4_15 109.5(4) . . ?
F3_15 C2_15 F1_15 108.1(4) . . ?
F3_15 C2_15 F2_15 107.3(4) . . ?
F1_15 C2_15 F2_15 107.8(4) . . ?
F3_15 C2_15 C1_15 111.7(4) . . ?
F1_15 C2_15 C1_15 110.7(4) . . ?
F2_15 C2_15 C1_15 111.0(4) . . ?
F4_15 C3_15 F6_15 107.4(4) . . ?
F4_15 C3_15 F5_15 107.0(4) . . ?
F6_15 C3_15 F5_15 107.7(4) . . ?
F4_15 C3_15 C1_15 110.0(4) . . ?
F6_15 C3_15 C1_15 113.0(4) . . ?
F5_15 C3_15 C1_15 111.5(4) . . ?
F9_15 C4_15 F8_15 108.5(4) . . ?
F9_15 C4_15 F7_15 107.9(4) . . ?
F8_15 C4_15 F7_15 107.8(4) . . ?
F9_15 C4_15 C1_15 110.7(4) . . ?
F8_15 C4_15 C1_15 111.9(4) . . ?
F7_15 C4_15 C1_15 109.9(4) . . ?

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
O1_2 Al1 O1_1 C1_1 -12.6(8) . . . . ?
O1_3 Al1 O1_1 C1_1 -144.9(7) . . . . ?
F1 Al1 O1_1 C1_1 100.9(7) . . . . ?
Al1 O1_1 C1_1 C3_1 59.9(8) . . . . ?
Al1 O1_1 C1_1 C2_1 -61.0(8) . . . . ?
Al1 O1_1 C1_1 C4_1 -179.7(6) . . . . ?
O1_1 C1_1 C2_1 F3_1 42.8(5) . . . . ?
C3_1 C1_1 C2_1 F3_1 -77.7(5) . . . . ?
C4_1 C1_1 C2_1 F3_1 160.0(4) . . . . ?
O1_1 C1_1 C2_1 F2_1 161.9(4) . . . . ?
C3_1 C1_1 C2_1 F2_1 41.3(5) . . . . ?
C4_1 C1_1 C2_1 F2_1 -80.9(5) . . . . ?
O1_1 C1_1 C2_1 F1_1 -77.1(5) . . . . ?
C3_1 C1_1 C2_1 F1_1 162.4(4) . . . . ?
C4_1 C1_1 C2_1 F1_1 40.2(5) . . . . ?
O1_1 C1_1 C3_1 F4_1 43.1(5) . . . . ?
C2_1 C1_1 C3_1 F4_1 163.7(4) . . . . ?
C4_1 C1_1 C3_1 F4_1 -75.0(5) . . . . ?
O1_1 C1_1 C3_1 F5_1 -79.3(5) . . . . ?
C2_1 C1_1 C3_1 F5_1 41.3(5) . . . . ?
C4_1 C1_1 C3_1 F5_1 162.7(4) . . . . ?
O1_1 C1_1 C3_1 F6_1 161.1(4) . . . . ?
C2_1 C1_1 C3_1 F6_1 -78.3(5) . . . . ?
C4_1 C1_1 C3_1 F6_1 43.0(6) . . . . ?
O1_1 C1_1 C4_1 F9_1 40.6(5) . . . . ?
C3_1 C1_1 C4_1 F9_1 160.0(4) . . . . ?
C2_1 C1_1 C4_1 F9_1 -78.3(5) . . . . ?
O1_1 C1_1 C4_1 F8_1 160.1(4) . . . . ?
C3_1 C1_1 C4_1 F8_1 -80.4(5) . . . . ?
C2_1 C1_1 C4_1 F8_1 41.3(5) . . . . ?
O1_1 C1_1 C4_1 F7_1 -80.1(5) . . . . ?
C3_1 C1_1 C4_1 F7_1 39.3(5) . . . . ?
C2_1 C1_1 C4_1 F7_1 161.0(4) . . . . ?
O1_1 Al1 O1_2 C1_2 -129.7(6) . . . . ?
O1_3 Al1 O1_2 C1_2 1.8(7) . . . . ?
F1 Al1 O1_2 C1_2 116.1(6) . . . . ?
Al1 O1_2 C1_2 C4_2 176.1(5) . . . . ?
Al1 O1_2 C1_2 C3_2 56.7(7) . . . . ?
Al1 O1_2 C1_2 C2_2 -64.5(7) . . . . ?
O1_2 C1_2 C2_2 F3_2 42.4(5) . . . . ?
C4_2 C1_2 C2_2 F3_2 161.0(4) . . . . ?
C3_2 C1_2 C2_2 F3_2 -79.2(4) . . . . ?
O1_2 C1_2 C2_2 F1_2 -78.3(5) . . . . ?
C4_2 C1_2 C2_2 F1_2 40.4(5) . . . . ?
C3_2 C1_2 C2_2 F1_2 160.1(4) . . . . ?
O1_2 C1_2 C2_2 F2_2 161.1(4) . . . . ?
C4_2 C1_2 C2_2 F2_2 -80.3(4) . . . . ?
C3_2 C1_2 C2_2 F2_2 39.5(5) . . . . ?
O1_2 C1_2 C3_2 F4_2 42.1(5) . . . . ?
C4_2 C1_2 C3_2 F4_2 -76.8(5) . . . . ?
C2_2 C1_2 C3_2 F4_2 163.1(4) . . . . ?
O1_2 C1_2 C3_2 F6_2 164.2(4) . . . . ?
C4_2 C1_2 C3_2 F6_2 45.2(5) . . . . ?
C2_2 C1_2 C3_2 F6_2 -74.8(5) . . . . ?
O1_2 C1_2 C3_2 F5_2 -76.5(5) . . . . ?
C4_2 C1_2 C3_2 F5_2 164.5(4) . . . . ?
C2_2 C1_2 C3_2 F5_2 44.5(5) . . . . ?
O1_2 C1_2 C4_2 F9_2 43.5(5) . . . . ?
C3_2 C1_2 C4_2 F9_2 163.8(4) . . . . ?
C2_2 C1_2 C4_2 F9_2 -75.9(5) . . . . ?
O1_2 C1_2 C4_2 F8_2 164.5(4) . . . . ?
C3_2 C1_2 C4_2 F8_2 -75.1(5) . . . . ?
C2_2 C1_2 C4_2 F8_2 45.1(5) . . . . ?
O1_2 C1_2 C4_2 F7_2 -75.3(4) . . . . ?
C3_2 C1_2 C4_2 F7_2 45.0(5) . . . . ?
C2_2 C1_2 C4_2 F7_2 165.3(4) . . . . ?
O1_1 Al1 O1_3 C1_3 -11.1(6) . . . . ?
O1_2 Al1 O1_3 C1_3 -143.4(5) . . . . ?
F1 Al1 O1_3 C1_3 103.0(5) . . . . ?
Al1 O1_3 C1_3 C2_3 177.1(4) . . . . ?
Al1 O1_3 C1_3 C3_3 -64.0(6) . . . . ?
Al1 O1_3 C1_3 C4_3 57.1(6) . . . . ?
O1_3 C1_3 C2_3 F2_3 161.4(4) . . . . ?
C3_3 C1_3 C2_3 F2_3 42.5(5) . . . . ?
C4_3 C1_3 C2_3 F2_3 -77.5(5) . . . . ?
O1_3 C1_3 C2_3 F3_3 38.9(5) . . . . ?
C3_3 C1_3 C2_3 F3_3 -80.1(5) . . . . ?
C4_3 C1_3 C2_3 F3_3 159.9(4) . . . . ?
O1_3 C1_3 C2_3 F1_3 -78.5(5) . . . . ?
C3_3 C1_3 C2_3 F1_3 162.5(4) . . . . ?
C4_3 C1_3 C2_3 F1_3 42.5(5) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.8(5) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.1(4) . . . . ?
C4_3 C1_3 C3_3 F4_3 -77.6(5) . . . . ?
O1_3 C1_3 C3_3 F6_3 166.1(4) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.6(5) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.7(5) . . . . ?
O1_3 C1_3 C3_3 F5_3 -73.1(5) . . . . ?
C2_3 C1_3 C3_3 F5_3 44.2(5) . . . . ?
C4_3 C1_3 C3_3 F5_3 164.5(4) . . . . ?
O1_3 C1_3 C4_3 F7_3 -81.7(5) . . . . ?
C2_3 C1_3 C4_3 F7_3 159.9(4) . . . . ?
C3_3 C1_3 C4_3 F7_3 39.6(5) . . . . ?
O1_3 C1_3 C4_3 F9_3 38.4(5) . . . . ?
C2_3 C1_3 C4_3 F9_3 -80.0(5) . . . . ?
C3_3 C1_3 C4_3 F9_3 159.7(4) . . . . ?
O1_3 C1_3 C4_3 F8_3 157.9(4) . . . . ?
C2_3 C1_3 C4_3 F8_3 39.5(6) . . . . ?
C3_3 C1_3 C4_3 F8_3 -80.7(5) . . . . ?
O1_5 Al2 O1_4 C1_4 75.4(6) . . . . ?
O1_6 Al2 O1_4 C1_4 -152.4(6) . . . . ?
F2 Al2 O1_4 C1_4 -38.3(6) . . . . ?
Al2 O1_4 C1_4 C2_4 77.9(7) . . . . ?
Al2 O1_4 C1_4 C3_4 -162.9(5) . . . . ?
Al2 O1_4 C1_4 C4_4 -42.7(7) . . . . ?
O1_4 C1_4 C2_4 F3_4 43.2(5) . . . . ?
C3_4 C1_4 C2_4 F3_4 -75.9(5) . . . . ?
C4_4 C1_4 C2_4 F3_4 163.6(4) . . . . ?
O1_4 C1_4 C2_4 F1_4 -76.3(5) . . . . ?
C3_4 C1_4 C2_4 F1_4 164.6(4) . . . . ?
C4_4 C1_4 C2_4 F1_4 44.0(5) . . . . ?
O1_4 C1_4 C2_4 F2_4 164.4(4) . . . . ?
C3_4 C1_4 C2_4 F2_4 45.3(5) . . . . ?
C4_4 C1_4 C2_4 F2_4 -75.2(5) . . . . ?
O1_4 C1_4 C3_4 F5_4 -74.9(5) . . . . ?
C2_4 C1_4 C3_4 F5_4 44.5(5) . . . . ?
C4_4 C1_4 C3_4 F5_4 165.1(4) . . . . ?
O1_4 C1_4 C3_4 F4_4 45.0(5) . . . . ?
C2_4 C1_4 C3_4 F4_4 164.4(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -75.0(5) . . . . ?
O1_4 C1_4 C3_4 F6_4 165.5(4) . . . . ?
C2_4 C1_4 C3_4 F6_4 -75.0(5) . . . . ?
C4_4 C1_4 C3_4 F6_4 45.5(5) . . . . ?
O1_4 C1_4 C4_4 F9_4 40.4(5) . . . . ?
C2_4 C1_4 C4_4 F9_4 -79.9(5) . . . . ?
C3_4 C1_4 C4_4 F9_4 160.0(4) . . . . ?
O1_4 C1_4 C4_4 F7_4 -79.9(4) . . . . ?
C2_4 C1_4 C4_4 F7_4 159.9(4) . . . . ?
C3_4 C1_4 C4_4 F7_4 39.7(5) . . . . ?
O1_4 C1_4 C4_4 F8_4 160.3(3) . . . . ?
C2_4 C1_4 C4_4 F8_4 40.1(5) . . . . ?
C3_4 C1_4 C4_4 F8_4 -80.1(4) . . . . ?
O1_4 Al2 O1_5 C1_5 76.4(6) . . . . ?
O1_6 Al2 O1_5 C1_5 -55.3(6) . . . . ?
F2 Al2 O1_5 C1_5 -166.9(6) . . . . ?
Al2 O1_5 C1_5 C3_5 176.9(5) . . . . ?
Al2 O1_5 C1_5 C2_5 57.0(7) . . . . ?
Al2 O1_5 C1_5 C4_5 -63.8(7) . . . . ?
O1_5 C1_5 C2_5 F3_5 38.5(5) . . . . ?
C3_5 C1_5 C2_5 F3_5 -80.8(5) . . . . ?
C4_5 C1_5 C2_5 F3_5 159.9(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 160.9(4) . . . . ?
C3_5 C1_5 C2_5 F2_5 41.6(5) . . . . ?
C4_5 C1_5 C2_5 F2_5 -77.6(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -79.6(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 161.1(4) . . . . ?
C4_5 C1_5 C2_5 F1_5 41.9(5) . . . . ?
O1_5 C1_5 C3_5 F4_5 45.0(5) . . . . ?
C2_5 C1_5 C3_5 F4_5 166.5(4) . . . . ?
C4_5 C1_5 C3_5 F4_5 -74.7(5) . . . . ?
O1_5 C1_5 C3_5 F5_5 -74.3(5) . . . . ?
C2_5 C1_5 C3_5 F5_5 47.2(5) . . . . ?
C4_5 C1_5 C3_5 F5_5 166.1(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 164.7(4) . . . . ?
C2_5 C1_5 C3_5 F6_5 -73.8(5) . . . . ?
C4_5 C1_5 C3_5 F6_5 45.0(6) . . . . ?
O1_5 C1_5 C4_5 F7_5 -77.2(5) . . . . ?
C3_5 C1_5 C4_5 F7_5 41.3(5) . . . . ?
C2_5 C1_5 C4_5 F7_5 160.3(4) . . . . ?
O1_5 C1_5 C4_5 F9_5 42.3(5) . . . . ?
C3_5 C1_5 C4_5 F9_5 160.8(4) . . . . ?
C2_5 C1_5 C4_5 F9_5 -80.2(4) . . . . ?
O1_5 C1_5 C4_5 F8_5 161.1(4) . . . . ?
C3_5 C1_5 C4_5 F8_5 -80.4(5) . . . . ?
C2_5 C1_5 C4_5 F8_5 38.6(5) . . . . ?
O1_5 Al2 O1_6 C1_6 129.0(6) . . . . ?
O1_4 Al2 O1_6 C1_6 -4.8(7) . . . . ?
F2 Al2 O1_6 C1_6 -120.8(6) . . . . ?
Al2 O1_6 C1_6 C2_6 89.2(7) . . . . ?
Al2 O1_6 C1_6 C4_6 -33.4(8) . . . . ?
Al2 O1_6 C1_6 C3_6 -151.7(5) . . . . ?
O1_6 C1_6 C2_6 F2_6 -163.9(4) . . . . ?
C4_6 C1_6 C2_6 F2_6 -40.5(6) . . . . ?
C3_6 C1_6 C2_6 F2_6 79.0(6) . . . . ?
O1_6 C1_6 C2_6 F3_6 73.4(5) . . . . ?
C4_6 C1_6 C2_6 F3_6 -163.1(4) . . . . ?
C3_6 C1_6 C2_6 F3_6 -43.7(5) . . . . ?
O1_6 C1_6 C2_6 F1_6 -45.8(6) . . . . ?
C4_6 C1_6 C2_6 F1_6 77.6(5) . . . . ?
C3_6 C1_6 C2_6 F1_6 -162.9(4) . . . . ?
O1_6 C1_6 C3_6 F6_6 -164.8(4) . . . . ?
C2_6 C1_6 C3_6 F6_6 -45.0(6) . . . . ?
C4_6 C1_6 C3_6 F6_6 75.2(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 -44.5(5) . . . . ?
C2_6 C1_6 C3_6 F5_6 75.3(5) . . . . ?
C4_6 C1_6 C3_6 F5_6 -164.5(4) . . . . ?
O1_6 C1_6 C3_6 F4_6 75.5(5) . . . . ?
C2_6 C1_6 C3_6 F4_6 -164.6(4) . . . . ?
C4_6 C1_6 C3_6 F4_6 -44.5(5) . . . . ?
O1_6 C1_6 C4_6 F8_6 -156.3(4) . . . . ?
C2_6 C1_6 C4_6 F8_6 80.5(5) . . . . ?
C3_6 C1_6 C4_6 F8_6 -39.4(5) . . . . ?
O1_6 C1_6 C4_6 F9_6 81.8(5) . . . . ?
C2_6 C1_6 C4_6 F9_6 -41.4(5) . . . . ?
C3_6 C1_6 C4_6 F9_6 -161.3(4) . . . . ?
O1_6 C1_6 C4_6 F7_6 -37.5(5) . . . . ?
C2_6 C1_6 C4_6 F7_6 -160.6(4) . . . . ?
C3_6 C1_6 C4_6 F7_6 79.5(5) . . . . ?
O1_9 Al3 O1_7 C1_7 61.7(10) . . . . ?
O1_10 Al3 O1_7 C1_7 61.2(11) . . . . ?
O1_8 Al3 O1_7 C1_7 -70.8(7) . . . . ?
F3 Al3 O1_7 C1_7 172.6(6) . . . . ?
Al3 O1_7 C1_7 C2_7 -178.2(5) . . . . ?
Al3 O1_7 C1_7 C3_7 61.3(8) . . . . ?
Al3 O1_7 C1_7 C4_7 -58.7(8) . . . . ?
O1_7 C1_7 C2_7 F3_7 -45.3(6) . . . . ?
C3_7 C1_7 C2_7 F3_7 74.8(5) . . . . ?
C4_7 C1_7 C2_7 F3_7 -165.8(4) . . . . ?
O1_7 C1_7 C2_7 F1_7 75.1(5) . . . . ?
C3_7 C1_7 C2_7 F1_7 -164.8(4) . . . . ?
C4_7 C1_7 C2_7 F1_7 -45.4(5) . . . . ?
O1_7 C1_7 C2_7 F2_7 -165.3(5) . . . . ?
C3_7 C1_7 C2_7 F2_7 -45.2(6) . . . . ?
C4_7 C1_7 C2_7 F2_7 74.2(6) . . . . ?
O1_7 C1_7 C3_7 F4_7 -43.1(5) . . . . ?
C2_7 C1_7 C3_7 F4_7 -162.2(4) . . . . ?
C4_7 C1_7 C3_7 F4_7 78.1(5) . . . . ?
O1_7 C1_7 C3_7 F5_7 77.7(5) . . . . ?
C2_7 C1_7 C3_7 F5_7 -41.4(5) . . . . ?
C4_7 C1_7 C3_7 F5_7 -161.1(4) . . . . ?
O1_7 C1_7 C3_7 F6_7 -162.9(4) . . . . ?
C2_7 C1_7 C3_7 F6_7 78.1(5) . . . . ?
C4_7 C1_7 C3_7 F6_7 -41.6(6) . . . . ?
O1_7 C1_7 C4_7 F9_7 -39.4(6) . . . . ?
C2_7 C1_7 C4_7 F9_7 79.5(5) . . . . ?
C3_7 C1_7 C4_7 F9_7 -160.0(4) . . . . ?
O1_7 C1_7 C4_7 F8_7 -160.7(4) . . . . ?
C2_7 C1_7 C4_7 F8_7 -41.9(5) . . . . ?
C3_7 C1_7 C4_7 F8_7 78.7(5) . . . . ?
O1_7 C1_7 C4_7 F7_7 80.1(5) . . . . ?
C2_7 C1_7 C4_7 F7_7 -161.0(4) . . . . ?
C3_7 C1_7 C4_7 F7_7 -40.5(5) . . . . ?
O1_9 Al3 O1_8 C1_8 146.6(9) . . . . ?
O1_10 Al3 O1_8 C1_8 153.1(10) . . . . ?
O1_7 Al3 O1_8 C1_8 -77.8(7) . . . . ?
F3 Al3 O1_8 C1_8 35.0(7) . . . . ?
Al3 O1_8 C1_8 C3_8 43.4(8) . . . . ?
Al3 O1_8 C1_8 C2_8 163.9(5) . . . . ?
Al3 O1_8 C1_8 C4_8 -76.9(7) . . . . ?
O1_8 C1_8 C2_8 F3_8 -45.9(5) . . . . ?
C3_8 C1_8 C2_8 F3_8 75.2(5) . . . . ?
C4_8 C1_8 C2_8 F3_8 -165.2(4) . . . . ?
O1_8 C1_8 C2_8 F1_8 74.2(5) . . . . ?
C3_8 C1_8 C2_8 F1_8 -164.8(4) . . . . ?
C4_8 C1_8 C2_8 F1_8 -45.2(5) . . . . ?
O1_8 C1_8 C2_8 F2_8 -165.9(4) . . . . ?
C3_8 C1_8 C2_8 F2_8 -44.9(5) . . . . ?
C4_8 C1_8 C2_8 F2_8 74.7(5) . . . . ?
O1_8 C1_8 C3_8 F5_8 80.0(5) . . . . ?
C2_8 C1_8 C3_8 F5_8 -40.0(5) . . . . ?
C4_8 C1_8 C3_8 F5_8 -159.6(4) . . . . ?
O1_8 C1_8 C3_8 F4_8 -39.9(5) . . . . ?
C2_8 C1_8 C3_8 F4_8 -159.9(4) . . . . ?
C4_8 C1_8 C3_8 F4_8 80.6(5) . . . . ?
O1_8 C1_8 C3_8 F6_8 -159.8(4) . . . . ?
C2_8 C1_8 C3_8 F6_8 80.2(5) . . . . ?
C4_8 C1_8 C3_8 F6_8 -39.4(5) . . . . ?
O1_8 C1_8 C4_8 F9_8 -41.8(5) . . . . ?
C3_8 C1_8 C4_8 F9_8 -163.0(4) . . . . ?
C2_8 C1_8 C4_8 F9_8 77.2(5) . . . . ?
O1_8 C1_8 C4_8 F8_8 -162.7(4) . . . . ?
C3_8 C1_8 C4_8 F8_8 76.1(5) . . . . ?
C2_8 C1_8 C4_8 F8_8 -43.7(5) . . . . ?
O1_8 C1_8 C4_8 F7_8 77.3(5) . . . . ?
C3_8 C1_8 C4_8 F7_8 -43.9(5) . . . . ?
C2_8 C1_8 C4_8 F7_8 -163.7(4) . . . . ?
O1_8 Al3 O1_9 C1_9 18(3) . . . . ?
O1_7 Al3 O1_9 C1_9 -118(2) . . . . ?
F3 Al3 O1_9 C1_9 132(2) . . . . ?
Al3 O1_9 C1_9 C3_9 21(3) . . . . ?
Al3 O1_9 C1_9 C4_9 -99(3) . . . . ?
Al3 O1_9 C1_9 C2_9 143(2) . . . . ?
O1_9 C1_9 C2_9 F3_9 -76.6(13) . . . . ?
C3_9 C1_9 C2_9 F3_9 46.5(11) . . . . ?
C4_9 C1_9 C2_9 F3_9 167.3(9) . . . . ?
O1_9 C1_9 C2_9 F1_9 44.4(13) . . . . ?
C3_9 C1_9 C2_9 F1_9 167.5(9) . . . . ?
C4_9 C1_9 C2_9 F1_9 -71.6(10) . . . . ?
O1_9 C1_9 C2_9 F2_9 164.0(12) . . . . ?
C3_9 C1_9 C2_9 F2_9 -72.9(11) . . . . ?
C4_9 C1_9 C2_9 F2_9 47.9(11) . . . . ?
O1_9 C1_9 C3_9 F4_9 -77.1(11) . . . . ?
C4_9 C1_9 C3_9 F4_9 41.1(10) . . . . ?
C2_9 C1_9 C3_9 F4_9 162.5(8) . . . . ?
O1_9 C1_9 C3_9 F6_9 159.7(11) . . . . ?
C4_9 C1_9 C3_9 F6_9 -82.1(10) . . . . ?
C2_9 C1_9 C3_9 F6_9 39.4(11) . . . . ?
O1_9 C1_9 C3_9 F5_9 42.3(13) . . . . ?
C4_9 C1_9 C3_9 F5_9 160.5(10) . . . . ?
C2_9 C1_9 C3_9 F5_9 -78.0(11) . . . . ?
O1_9 C1_9 C4_9 F9_9 -73.5(12) . . . . ?
C3_9 C1_9 C4_9 F9_9 164.5(8) . . . . ?
C2_9 C1_9 C4_9 F9_9 43.5(11) . . . . ?
O1_9 C1_9 C4_9 F8_9 167.9(12) . . . . ?
C3_9 C1_9 C4_9 F8_9 46.0(12) . . . . ?
C2_9 C1_9 C4_9 F8_9 -75.1(11) . . . . ?
O1_9 C1_9 C4_9 F7_9 48.8(13) . . . . ?
C3_9 C1_9 C4_9 F7_9 -73.2(10) . . . . ?
C2_9 C1_9 C4_9 F7_9 165.8(9) . . . . ?
O1_8 Al3 O1_10 C1_10 -3(3) . . . . ?
O1_7 Al3 O1_10 C1_10 -136(3) . . . . ?
F3 Al3 O1_10 C1_10 116(3) . . . . ?
Al3 O1_10 C1_10 C2_10 78(3) . . . . ?
Al3 O1_10 C1_10 C3_10 -42(3) . . . . ?
Al3 O1_10 C1_10 C4_10 -163(3) . . . . ?
O1_10 C1_10 C2_10 F3_10 -42.7(17) . . . . ?
C3_10 C1_10 C2_10 F3_10 78.3(14) . . . . ?
C4_10 C1_10 C2_10 F3_10 -159.9(13) . . . . ?
O1_10 C1_10 C2_10 F1_10 78.1(14) . . . . ?
C3_10 C1_10 C2_10 F1_10 -160.9(9) . . . . ?
C4_10 C1_10 C2_10 F1_10 -39.1(12) . . . . ?
O1_10 C1_10 C2_10 F2_10 -165.6(13) . . . . ?
C3_10 C1_10 C2_10 F2_10 -44.6(11) . . . . ?
C4_10 C1_10 C2_10 F2_10 77.2(11) . . . . ?
O1_10 C1_10 C3_10 F4_10 -43.6(16) . . . . ?
C2_10 C1_10 C3_10 F4_10 -162.1(11) . . . . ?
C4_10 C1_10 C3_10 F4_10 76.0(12) . . . . ?
O1_10 C1_10 C3_10 F6_10 -163.7(17) . . . . ?
C2_10 C1_10 C3_10 F6_10 77.7(14) . . . . ?
C4_10 C1_10 C3_10 F6_10 -44.1(15) . . . . ?
O1_10 C1_10 C3_10 F5_10 76.7(15) . . . . ?
C2_10 C1_10 C3_10 F5_10 -41.9(11) . . . . ?
C4_10 C1_10 C3_10 F5_10 -163.7(9) . . . . ?
O1_10 C1_10 C4_10 F8_10 -157.7(14) . . . . ?
C2_10 C1_10 C4_10 F8_10 -40.8(14) . . . . ?
C3_10 C1_10 C4_10 F8_10 80.6(13) . . . . ?
O1_10 C1_10 C4_10 F9_10 -40.0(15) . . . . ?
C2_10 C1_10 C4_10 F9_10 76.9(13) . . . . ?
C3_10 C1_10 C4_10 F9_10 -161.7(11) . . . . ?
O1_10 C1_10 C4_10 F7_10 82.5(13) . . . . ?
C2_10 C1_10 C4_10 F7_10 -160.5(9) . . . . ?
C3_10 C1_10 C4_10 F7_10 -39.2(12) . . . . ?
O1_19 Al4 O1_12 C1_12 -110(2) . . . . ?
O1_15 Al4 O1_12 C1_12 22(2) . . . . ?
F4 Al4 O1_12 C1_12 134(2) . . . . ?
Al4 O1_12 C1_12 C2_12 69(2) . . . . ?
Al4 O1_12 C1_12 C3_12 -53(2) . . . . ?
Al4 O1_12 C1_12 C4_12 -173(2) . . . . ?
O1_12 C1_12 C2_12 F2_12 -162.1(10) . . . . ?
C3_12 C1_12 C2_12 F2_12 -40.3(9) . . . . ?
C4_12 C1_12 C2_12 F2_12 81.0(8) . . . . ?
O1_12 C1_12 C2_12 F3_12 -42.2(12) . . . . ?
C3_12 C1_12 C2_12 F3_12 79.7(9) . . . . ?
C4_12 C1_12 C2_12 F3_12 -159.0(8) . . . . ?
O1_12 C1_12 C2_12 F1_12 77.4(10) . . . . ?
C3_12 C1_12 C2_12 F1_12 -160.7(6) . . . . ?
C4_12 C1_12 C2_12 F1_12 -39.4(8) . . . . ?
O1_12 C1_12 C3_12 F4_12 -37.8(11) . . . . ?
C2_12 C1_12 C3_12 F4_12 -159.9(7) . . . . ?
C4_12 C1_12 C3_12 F4_12 79.6(9) . . . . ?
O1_12 C1_12 C3_12 F6_12 -160.6(10) . . . . ?
C2_12 C1_12 C3_12 F6_12 77.3(9) . . . . ?
C4_12 C1_12 C3_12 F6_12 -43.3(10) . . . . ?
O1_12 C1_12 C3_12 F5_12 79.3(10) . . . . ?
C2_12 C1_12 C3_12 F5_12 -42.8(9) . . . . ?
C4_12 C1_12 C3_12 F5_12 -163.3(7) . . . . ?
O1_12 C1_12 C4_12 F7_12 75.8(10) . . . . ?
C2_12 C1_12 C4_12 F7_12 -164.7(7) . . . . ?
C3_12 C1_12 C4_12 F7_12 -43.8(9) . . . . ?
O1_12 C1_12 C4_12 F8_12 -165.1(12) . . . . ?
C2_12 C1_12 C4_12 F8_12 -45.6(11) . . . . ?
C3_12 C1_12 C4_12 F8_12 75.3(11) . . . . ?
O1_12 C1_12 C4_12 F9_12 -45.3(12) . . . . ?
C2_12 C1_12 C4_12 F9_12 74.2(10) . . . . ?
C3_12 C1_12 C4_12 F9_12 -165.0(9) . . . . ?
O1_15 Al4 O1_13 C1_13 -16(4) . . . . ?
O1_20 Al4 O1_13 C1_13 -146(3) . . . . ?
F4 Al4 O1_13 C1_13 100(3) . . . . ?
Al4 O1_13 C1_13 C2_13 -55(4) . . . . ?
Al4 O1_13 C1_13 C3_13 67(4) . . . . ?
Al4 O1_13 C1_13 C4_13 -175(3) . . . . ?
O1_13 C1_13 C2_13 F2_13 169.3(17) . . . . ?
C3_13 C1_13 C2_13 F2_13 47.0(15) . . . . ?
C4_13 C1_13 C2_13 F2_13 -72.0(14) . . . . ?
O1_13 C1_13 C2_13 F1_13 -73.9(17) . . . . ?
C3_13 C1_13 C2_13 F1_13 163.8(11) . . . . ?
C4_13 C1_13 C2_13 F1_13 44.7(13) . . . . ?
O1_13 C1_13 C2_13 F3_13 47.1(19) . . . . ?
C3_13 C1_13 C2_13 F3_13 -75.2(15) . . . . ?
C4_13 C1_13 C2_13 F3_13 165.7(13) . . . . ?
O1_13 C1_13 C3_13 F4_13 39.4(18) . . . . ?
C2_13 C1_13 C3_13 F4_13 162.7(12) . . . . ?
C4_13 C1_13 C3_13 F4_13 -78.1(14) . . . . ?
O1_13 C1_13 C3_13 F6_13 159.5(16) . . . . ?
C2_13 C1_13 C3_13 F6_13 -77.2(13) . . . . ?
C4_13 C1_13 C3_13 F6_13 42.0(13) . . . . ?
O1_13 C1_13 C3_13 F5_13 -81.3(17) . . . . ?
C2_13 C1_13 C3_13 F5_13 41.9(13) . . . . ?
C4_13 C1_13 C3_13 F5_13 161.2(11) . . . . ?
O1_13 C1_13 C4_13 F7_13 -73.4(16) . . . . ?
C2_13 C1_13 C4_13 F7_13 165.5(10) . . . . ?
C3_13 C1_13 C4_13 F7_13 45.4(13) . . . . ?
O1_13 C1_13 C4_13 F8_13 165(2) . . . . ?
C2_13 C1_13 C4_13 F8_13 43.8(18) . . . . ?
C3_13 C1_13 C4_13 F8_13 -76.3(18) . . . . ?
O1_13 C1_13 C4_13 F9_13 46.1(19) . . . . ?
C2_13 C1_13 C4_13 F9_13 -74.9(15) . . . . ?
C3_13 C1_13 C4_13 F9_13 165.0(14) . . . . ?
C6_14 C1_14 C2_14 F2_14 -179.6(4) . . . . ?
F1_14 C1_14 C2_14 F2_14 2.2(6) . . . . ?
C6_14 C1_14 C2_14 C3_14 -1.9(7) . . . . ?
F1_14 C1_14 C2_14 C3_14 179.9(4) . . . . ?
F2_14 C2_14 C3_14 F3_14 -1.3(6) . . . . ?
C1_14 C2_14 C3_14 F3_14 -179.0(4) . . . . ?
F2_14 C2_14 C3_14 C4_14 -179.4(4) . . . . ?
C1_14 C2_14 C3_14 C4_14 2.9(6) . . . . ?
F3_14 C3_14 C4_14 F4_14 -0.4(7) . . . . ?
C2_14 C3_14 C4_14 F4_14 177.6(4) . . . . ?
F3_14 C3_14 C4_14 C5_14 -179.8(4) . . . . ?
C2_14 C3_14 C4_14 C5_14 -1.7(7) . . . . ?
F4_14 C4_14 C5_14 C6_14 -179.8(4) . . . . ?
C3_14 C4_14 C5_14 C6_14 -0.5(7) . . . . ?
F1_14 C1_14 C6_14 C5_14 177.9(4) . . . . ?
C2_14 C1_14 C6_14 C5_14 -0.3(7) . . . . ?
C4_14 C5_14 C6_14 C1_14 1.5(6) . . . . ?
F1_17 C1_17 C2_17 C3_17 178.3(11) . . . . ?
C6_17 C1_17 C2_17 C3_17 -4(2) . . . . ?
F1_17 C1_17 C2_17 F2_17 2.2(17) . . . . ?
C6_17 C1_17 C2_17 F2_17 179.9(11) . . . . ?
C1_17 C2_17 C3_17 F3_17 -178.8(11) . . . . ?
F2_17 C2_17 C3_17 F3_17 -2.7(19) . . . . ?
C1_17 C2_17 C3_17 C4_17 1(2) . . . . ?
F2_17 C2_17 C3_17 C4_17 176.7(11) . . . . ?
C2_17 C3_17 C4_17 C5_17 2(2) . . . . ?
F3_17 C3_17 C4_17 C5_17 -178.4(11) . . . . ?
C2_17 C3_17 C4_17 F4_17 177.1(12) . . . . ?
F3_17 C3_17 C4_17 F4_17 -3.4(18) . . . . ?
C3_17 C4_17 C5_17 C6_17 -2(2) . . . . ?
F4_17 C4_17 C5_17 C6_17 -176.2(12) . . . . ?
C4_17 C5_17 C6_17 C1_17 -1(2) . . . . ?
C2_17 C1_17 C6_17 C5_17 4(2) . . . . ?
F1_17 C1_17 C6_17 C5_17 -178.0(11) . . . . ?
O1_15 Al4 O1_19 C1_19 -159(2) . . . . ?
O1_12 Al4 O1_19 C1_19 -27(2) . . . . ?
F4 Al4 O1_19 C1_19 86(2) . . . . ?
Al4 O1_19 C1_19 C3_19 -39(2) . . . . ?
Al4 O1_19 C1_19 C2_19 -160(2) . . . . ?
Al4 O1_19 C1_19 C4_19 81(2) . . . . ?
O1_19 C1_19 C2_19 F3_19 43.8(9) . . . . ?
C3_19 C1_19 C2_19 F3_19 -77.7(7) . . . . ?
C4_19 C1_19 C2_19 F3_19 163.4(6) . . . . ?
O1_19 C1_19 C2_19 F1_19 -75.7(9) . . . . ?
C3_19 C1_19 C2_19 F1_19 162.8(7) . . . . ?
C4_19 C1_19 C2_19 F1_19 43.8(8) . . . . ?
O1_19 C1_19 C2_19 F2_19 163.5(8) . . . . ?
C3_19 C1_19 C2_19 F2_19 42.0(8) . . . . ?
C4_19 C1_19 C2_19 F2_19 -76.9(8) . . . . ?
O1_19 C1_19 C3_19 F5_19 -74.1(10) . . . . ?
C2_19 C1_19 C3_19 F5_19 46.0(9) . . . . ?
C4_19 C1_19 C3_19 F5_19 165.2(7) . . . . ?
O1_19 C1_19 C3_19 F6_19 164.6(9) . . . . ?
C2_19 C1_19 C3_19 F6_19 -75.3(9) . . . . ?
C4_19 C1_19 C3_19 F6_19 43.8(9) . . . . ?
O1_19 C1_19 C3_19 F4_19 43.8(9) . . . . ?
C2_19 C1_19 C3_19 F4_19 163.9(7) . . . . ?
C4_19 C1_19 C3_19 F4_19 -77.0(8) . . . . ?
O1_19 C1_19 C4_19 F9_19 42.7(9) . . . . ?
C3_19 C1_19 C4_19 F9_19 164.1(6) . . . . ?
C2_19 C1_19 C4_19 F9_19 -76.1(7) . . . . ?
O1_19 C1_19 C4_19 F7_19 -75.7(8) . . . . ?
C3_19 C1_19 C4_19 F7_19 45.8(8) . . . . ?
C2_19 C1_19 C4_19 F7_19 165.5(6) . . . . ?
O1_19 C1_19 C4_19 F8_19 162.5(7) . . . . ?
C3_19 C1_19 C4_19 F8_19 -76.0(8) . . . . ?
C2_19 C1_19 C4_19 F8_19 43.8(8) . . . . ?
O1_13 Al4 O1_20 C1_20 -13(6) . . . . ?
O1_15 Al4 O1_20 C1_20 -142(5) . . . . ?
F4 Al4 O1_20 C1_20 105(5) . . . . ?
Al4 O1_20 C1_20 C3_20 -53(6) . . . . ?
Al4 O1_20 C1_20 C2_20 68(5) . . . . ?
Al4 O1_20 C1_20 C4_20 -172(5) . . . . ?
O1_20 C1_20 C2_20 F3_20 -49(2) . . . . ?
C3_20 C1_20 C2_20 F3_20 71.9(17) . . . . ?
C4_20 C1_20 C2_20 F3_20 -167.3(15) . . . . ?
O1_20 C1_20 C2_20 F1_20 70(2) . . . . ?
C3_20 C1_20 C2_20 F1_20 -168.4(16) . . . . ?
C4_20 C1_20 C2_20 F1_20 -47.6(18) . . . . ?
O1_20 C1_20 C2_20 F2_20 -169(2) . . . . ?
C3_20 C1_20 C2_20 F2_20 -47.8(18) . . . . ?
C4_20 C1_20 C2_20 F2_20 73.0(18) . . . . ?
O1_20 C1_20 C3_20 F6_20 -159(2) . . . . ?
C2_20 C1_20 C3_20 F6_20 78.4(18) . . . . ?
C4_20 C1_20 C3_20 F6_20 -41.9(19) . . . . ?
O1_20 C1_20 C3_20 F4_20 -40(2) . . . . ?
C2_20 C1_20 C3_20 F4_20 -163.0(14) . . . . ?
C4_20 C1_20 C3_20 F4_20 76.8(16) . . . . ?
O1_20 C1_20 C3_20 F5_20 79(2) . . . . ?
C2_20 C1_20 C3_20 F5_20 -43.8(17) . . . . ?
C4_20 C1_20 C3_20 F5_20 -164.0(15) . . . . ?
O1_20 C1_20 C4_20 F8_20 -166(2) . . . . ?
C3_20 C1_20 C4_20 F8_20 74.7(18) . . . . ?
C2_20 C1_20 C4_20 F8_20 -45.2(18) . . . . ?
O1_20 C1_20 C4_20 F9_20 -48(2) . . . . ?
C3_20 C1_20 C4_20 F9_20 -166.7(15) . . . . ?
C2_20 C1_20 C4_20 F9_20 73.4(17) . . . . ?
O1_20 C1_20 C4_20 F7_20 73(2) . . . . ?
C3_20 C1_20 C4_20 F7_20 -46.2(17) . . . . ?
C2_20 C1_20 C4_20 F7_20 -166.1(15) . . . . ?
F1_21 C1_21 C2_21 F2_21 -1(2) . . . . ?
C6_21 C1_21 C2_21 F2_21 -177.0(11) . . . . ?
F1_21 C1_21 C2_21 C3_21 177.7(12) . . . . ?
C6_21 C1_21 C2_21 C3_21 1(2) . . . . ?
F2_21 C2_21 C3_21 C4_21 178.3(12) . . . . ?
C1_21 C2_21 C3_21 C4_21 0(2) . . . . ?
F2_21 C2_21 C3_21 F3_21 -1.3(19) . . . . ?
C1_21 C2_21 C3_21 F3_21 -179.7(11) . . . . ?
C2_21 C3_21 C4_21 C5_21 -1(2) . . . . ?
F3_21 C3_21 C4_21 C5_21 178.7(11) . . . . ?
C2_21 C3_21 C4_21 F4_21 179.5(13) . . . . ?
F3_21 C3_21 C4_21 F4_21 -0.9(18) . . . . ?
F4_21 C4_21 C5_21 C6_21 -179.6(13) . . . . ?
C3_21 C4_21 C5_21 C6_21 1(2) . . . . ?
F1_21 C1_21 C6_21 C5_21 -178.3(11) . . . . ?
C2_21 C1_21 C6_21 C5_21 -1(2) . . . . ?
C4_21 C5_21 C6_21 C1_21 0(2) . . . . ?
O1_19 Al4 O1_15 C1_15 -10.2(8) . . . . ?
O1_13 Al4 O1_15 C1_15 -135.4(12) . . . . ?
O1_12 Al4 O1_15 C1_15 -145.0(8) . . . . ?
O1_20 Al4 O1_15 C1_15 -4.8(16) . . . . ?
F4 Al4 O1_15 C1_15 105.5(6) . . . . ?
Al4 O1_15 C1_15 C3_15 -70.0(7) . . . . ?
Al4 O1_15 C1_15 C2_15 171.3(5) . . . . ?
Al4 O1_15 C1_15 C4_15 51.4(8) . . . . ?
O1_15 C1_15 C2_15 F3_15 42.2(5) . . . . ?
C3_15 C1_15 C2_15 F3_15 -76.6(5) . . . . ?
C4_15 C1_15 C2_15 F3_15 163.1(4) . . . . ?
O1_15 C1_15 C2_15 F1_15 -78.3(5) . . . . ?
C3_15 C1_15 C2_15 F1_15 162.9(4) . . . . ?
C4_15 C1_15 C2_15 F1_15 42.5(5) . . . . ?
O1_15 C1_15 C2_15 F2_15 162.0(4) . . . . ?
C3_15 C1_15 C2_15 F2_15 43.2(5) . . . . ?
C4_15 C1_15 C2_15 F2_15 -77.2(5) . . . . ?
O1_15 C1_15 C3_15 F4_15 42.6(5) . . . . ?
C2_15 C1_15 C3_15 F4_15 160.4(4) . . . . ?
C4_15 C1_15 C3_15 F4_15 -79.5(5) . . . . ?
O1_15 C1_15 C3_15 F6_15 162.6(4) . . . . ?
C2_15 C1_15 C3_15 F6_15 -79.7(5) . . . . ?
C4_15 C1_15 C3_15 F6_15 40.5(5) . . . . ?
O1_15 C1_15 C3_15 F5_15 -75.9(5) . . . . ?
C2_15 C1_15 C3_15 F5_15 41.8(5) . . . . ?
C4_15 C1_15 C3_15 F5_15 161.9(4) . . . . ?
O1_15 C1_15 C4_15 F9_15 39.7(6) . . . . ?
C3_15 C1_15 C4_15 F9_15 160.8(4) . . . . ?
C2_15 C1_15 C4_15 F9_15 -79.2(5) . . . . ?
O1_15 C1_15 C4_15 F8_15 160.7(4) . . . . ?
C3_15 C1_15 C4_15 F8_15 -78.1(5) . . . . ?
C2_15 C1_15 C4_15 F8_15 41.9(6) . . . . ?
O1_15 C1_15 C4_15 F7_15 -79.5(5) . . . . ?
C3_15 C1_15 C4_15 F7_15 41.7(5) . . . . ?
C2_15 C1_15 C4_15 F7_15 161.7(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_p-1_a
_database_code_depnum_ccdc_archive 'CCDC 2390232'
loop_
_audit_author_name
_audit_author_address
'Malte Sellin'
;Albert Ludwigs Universaet Freiburg
Germany
;
_audit_update_record             
;
2024-10-11 deposited with the CCDC.	2024-12-06 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V139 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C34 Ag Al2 F55 O16 Ru2'
_chemical_formula_moiety         'C24 Al2 F55 O6, C10 Ag O10 Ru2'
_chemical_formula_weight         2073.31
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.005(4)
_cell_length_b                   24.541(7)
_cell_length_c                   24.767(10)
_cell_angle_alpha                64.588(17)
_cell_angle_beta                 84.267(13)
_cell_angle_gamma                85.248(13)
_cell_volume                     6005(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9616
_cell_measurement_theta_min      2.3905
_cell_measurement_theta_max      29.0565
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'diffusion of n-pentane in 1,2,3,4-tetrafluorobenzene'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.293
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.213
_exptl_crystal_size_min          0.106
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6767
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            249926
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_theta_min         0.913
_diffrn_reflns_theta_max         29.386
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             32365
_reflns_number_gt                26627
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS V6.2.15 Patch 4/2021-03-15 and APEX4 2022.1-1'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1105P)²+91.5545P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_reflns         32365
_refine_ls_number_parameters     2496
_refine_ls_number_restraints     38094
_refine_ls_R_factor_all          0.1033
_refine_ls_R_factor_gt           0.0836
_refine_ls_wR_factor_ref         0.2588
_refine_ls_wR_factor_gt          0.2396
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_restrained_S_all      0.824
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.681
_refine_diff_density_min         -2.508
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.01174(7) 0.74297(3) 0.25185(3) 0.02844(16) Uani 1 1 d . . . . .
Ag2 Ag -0.02538(7) 0.74700(3) 0.73756(3) 0.02813(15) Uani 1 1 d . . . . .
Ru1 Ru 0.00754(7) 0.64612(3) 0.22667(3) 0.02271(15) Uani 1 1 d . . . . .
Ru2 Ru -0.03693(6) 0.84947(3) 0.25957(3) 0.02098(14) Uani 1 1 d . . . . .
Ru3 Ru 0.01679(6) 0.73240(3) 0.63640(3) 0.02139(14) Uani 1 1 d . . . . .
Ru4 Ru -0.03364(7) 0.76182(3) 0.83873(3) 0.02249(15) Uani 1 1 d . . . . .
Al1 Al 0.5106(2) 0.06521(11) 1.01323(11) 0.0175(4) Uani 1 1 d . . . . .
Al2 Al 0.4927(2) 0.47638(11) 0.94198(11) 0.0176(4) Uani 1 1 d . . . . .
Al3 Al 0.4970(2) 0.57187(11) 0.50112(11) 0.0172(4) Uani 1 1 d . . . . .
Al4 Al 0.4976(2) 1.00779(10) 0.56809(10) 0.0154(4) Uani 1 1 d . . . . .
F1 F 0.500000 0.000000 1.000000 0.0200(13) Uani 1 2 d S . P A .
F2 F 0.500000 0.500000 1.000000 0.0189(12) Uani 1 2 d S . P . .
F3 F 0.500000 0.500000 0.500000 0.0203(13) Uani 1 2 d S . P B .
F4 F 0.500000 1.000000 0.500000 0.0206(13) Uani 1 2 d S . P . .
O4 O -0.0143(10) 0.7449(4) 0.0975(4) 0.052(2) Uani 1 1 d . . . . .
O5 O -0.2733(7) 0.6541(4) 0.2441(4) 0.0430(19) Uani 1 1 d . . . . .
O1 O 0.0372(8) 0.5288(3) 0.2062(3) 0.0363(16) Uani 1 1 d . . . . .
O2 O 0.0180(7) 0.5799(3) 0.3640(3) 0.0313(14) Uani 1 1 d . . . . .
O3 O 0.2834(8) 0.6697(5) 0.2103(4) 0.048(2) Uani 1 1 d . . . . .
O6 O 0.2448(7) 0.8409(4) 0.2427(4) 0.047(2) Uani 1 1 d . . . . .
O7 O -0.0106(8) 0.7761(4) 0.3960(3) 0.0403(18) Uani 1 1 d . . . . .
O8 O -0.3096(8) 0.8199(5) 0.2801(4) 0.047(2) Uani 1 1 d . . . . .
O9 O -0.0445(8) 0.8865(4) 0.1247(3) 0.044(2) Uani 1 1 d . . . . .
O10 O -0.0670(9) 0.9784(4) 0.2565(4) 0.046(2) Uani 1 1 d . . . . .
O11 O 0.0771(8) 0.7244(4) 0.5141(4) 0.046(2) Uani 1 1 d . . . . .
O13 O 0.2837(8) 0.7284(4) 0.6669(4) 0.044(2) Uani 1 1 d . . . . .
O14 O 0.0086(8) 0.8722(3) 0.5864(4) 0.0390(17) Uani 1 1 d . . . . .
O15 O -0.2639(7) 0.7310(4) 0.6453(4) 0.0434(19) Uani 1 1 d . . . . .
O16 O -0.3138(7) 0.7718(5) 0.8314(5) 0.050(2) Uani 1 1 d . . . . .
O17 O -0.0128(9) 0.8949(3) 0.7466(4) 0.049(2) Uani 1 1 d . . . . .
O18 O 0.2438(7) 0.7413(4) 0.8168(4) 0.046(2) Uani 1 1 d . . . . .
O19 O -0.0419(7) 0.6234(3) 0.8873(3) 0.0333(15) Uani 1 1 d . . . . .
O20 O -0.0301(8) 0.7722(4) 0.9602(4) 0.0420(18) Uani 1 1 d . . . . .
O12 O 0.0120(9) 0.5979(4) 0.7240(5) 0.058(3) Uani 1 1 d . . . . .
C6 C 0.1418(10) 0.8446(4) 0.2484(5) 0.032(2) Uani 1 1 d . . . . .
C1 C 0.0254(9) 0.5718(4) 0.2123(4) 0.0278(18) Uani 1 1 d . . . . .
C2 C 0.0150(8) 0.6047(4) 0.3143(4) 0.0263(17) Uani 1 1 d . . . . .
C3 C 0.1829(10) 0.6616(5) 0.2166(4) 0.0298(19) Uani 1 1 d . . . . .
C4 C -0.0068(10) 0.7082(5) 0.1446(5) 0.033(2) Uani 1 1 d . . . . .
C5 C -0.1731(9) 0.6518(4) 0.2381(4) 0.0288(18) Uani 1 1 d . . . . .
C7 C -0.0223(8) 0.8022(5) 0.3464(4) 0.0278(18) Uani 1 1 d . . . . .
C8 C -0.2119(10) 0.8307(5) 0.2722(4) 0.032(2) Uani 1 1 d . . . . .
C9 C -0.0436(10) 0.8730(4) 0.1726(4) 0.0299(19) Uani 1 1 d . . . . .
C10 C -0.0562(10) 0.9329(4) 0.2578(4) 0.0310(19) Uani 1 1 d . . . . .
C11 C 0.0546(8) 0.7266(4) 0.5587(4) 0.0260(17) Uani 1 1 d . . . . .
C12 C 0.0137(10) 0.6460(5) 0.6918(5) 0.035(2) Uani 1 1 d . . . . .
C13 C 0.1867(10) 0.7303(4) 0.6559(5) 0.032(2) Uani 1 1 d . . . . .
C14 C 0.0108(9) 0.8213(4) 0.6042(4) 0.0277(18) Uani 1 1 d . . . . .
C15 C -0.1635(9) 0.7335(4) 0.6416(4) 0.0290(19) Uani 1 1 d . . . . .
C16 C -0.2124(10) 0.7685(5) 0.8340(5) 0.034(2) Uani 1 1 d . . . . .
C17 C -0.0223(10) 0.8468(4) 0.7802(5) 0.033(2) Uani 1 1 d . . . . .
C18 C 0.1444(10) 0.7500(5) 0.8247(5) 0.034(2) Uani 1 1 d . . . . .
C19 C -0.0409(8) 0.6735(4) 0.8703(4) 0.0231(16) Uani 1 1 d . . . . .
C20 C -0.0294(9) 0.7690(4) 0.9161(4) 0.0278(18) Uani 1 1 d . . . . .
O1_1 O 0.3903(6) 0.0649(3) 1.0616(3) 0.0251(12) Uani 1 1 d D U . . .
C1_1 C 0.3143(7) 0.0360(3) 1.1107(3) 0.0257(15) Uani 1 1 d D U . . .
C2_1 C 0.2266(9) 0.0840(4) 1.1210(4) 0.048(2) Uani 1 1 d D U . . .
F1_1 F 0.1431(6) 0.1049(3) 1.0805(4) 0.062(2) Uani 1 1 d D U . . .
F2_1 F 0.1678(10) 0.0620(4) 1.1747(4) 0.080(3) Uani 1 1 d D U . . .
F3_1 F 0.2879(7) 0.1309(3) 1.1157(4) 0.060(2) Uani 1 1 d D U . . .
C3_1 C 0.3887(9) 0.0012(4) 1.1666(4) 0.039(2) Uani 1 1 d D U . . .
F4_1 F 0.4871(6) -0.0267(3) 1.1529(3) 0.0442(15) Uani 1 1 d D U . . .
F5_1 F 0.4238(9) 0.0392(4) 1.1870(3) 0.061(2) Uani 1 1 d D U . . .
F6_1 F 0.3235(8) -0.0405(3) 1.2112(3) 0.057(2) Uani 1 1 d D U . . .
C4_1 C 0.2397(7) -0.0088(3) 1.0997(4) 0.0289(16) Uani 1 1 d D U . . .
F7_1 F 0.3083(6) -0.0582(2) 1.1060(3) 0.0331(12) Uani 1 1 d D U . . .
F8_1 F 0.1418(6) -0.0272(3) 1.1389(3) 0.0467(17) Uani 1 1 d D U . . .
F9_1 F 0.2013(6) 0.0163(3) 1.0452(3) 0.0392(14) Uani 1 1 d D U . . .
O1_4 O 0.5985(7) 0.4191(3) 0.9525(3) 0.0350(16) Uani 1 1 d D U . . .
C1_4 C 0.6719(6) 0.3726(3) 0.9872(3) 0.0233(14) Uani 1 1 d D U . . .
C2_4 C 0.5951(8) 0.3189(4) 1.0304(4) 0.0339(18) Uani 1 1 d D U . . .
F1_4 F 0.5563(7) 0.2887(3) 1.0024(3) 0.0474(17) Uani 1 1 d D U . . .
F2_4 F 0.6578(7) 0.2797(3) 1.0755(3) 0.0505(17) Uani 1 1 d D U . . .
F3_4 F 0.4968(6) 0.3390(3) 1.0541(3) 0.0474(17) Uani 1 1 d D U . . .
C3_4 C 0.7488(7) 0.3940(3) 1.0231(3) 0.0282(16) Uani 1 1 d D U . . .
F4_4 F 0.7869(6) 0.4493(3) 0.9891(3) 0.0396(14) Uani 1 1 d D U . . .
F5_4 F 0.6804(6) 0.3964(3) 1.0698(2) 0.0345(13) Uani 1 1 d D U . . .
F6_4 F 0.8458(6) 0.3576(3) 1.0438(3) 0.0438(15) Uani 1 1 d D U . . .
C4_4 C 0.7585(7) 0.3533(4) 0.9442(4) 0.0306(17) Uani 1 1 d D U . . .
F7_4 F 0.8442(6) 0.3935(3) 0.9165(3) 0.0470(16) Uani 1 1 d D U . . .
F8_4 F 0.8146(6) 0.2997(3) 0.9737(3) 0.0495(17) Uani 1 1 d D U . . .
F9_4 F 0.6970(6) 0.3494(3) 0.9024(3) 0.0419(15) Uani 1 1 d D U . . .
O1_5 O 0.5222(6) 0.5380(3) 0.8774(3) 0.0291(14) Uani 1 1 d D U . . .
C1_5 C 0.5915(7) 0.5739(3) 0.8285(3) 0.0250(15) Uani 1 1 d D U . . .
C2_5 C 0.6255(7) 0.5423(4) 0.7862(3) 0.0313(17) Uani 1 1 d D U . . .
F1_5 F 0.5290(6) 0.5405(3) 0.7591(3) 0.0446(15) Uani 1 1 d D U . . .
F2_5 F 0.7133(6) 0.5695(3) 0.7439(3) 0.0447(16) Uani 1 1 d D U . . .
F3_5 F 0.6638(6) 0.4850(3) 0.8171(3) 0.0394(14) Uani 1 1 d D U . . .
C3_5 C 0.7105(7) 0.5889(4) 0.8467(4) 0.0310(17) Uani 1 1 d D U . . .
F4_5 F 0.6880(6) 0.6004(3) 0.8947(3) 0.0438(15) Uani 1 1 d D U . . .
F5_5 F 0.7921(6) 0.5426(3) 0.8607(3) 0.0409(14) Uani 1 1 d D U . . .
F6_5 F 0.7629(6) 0.6374(3) 0.8027(3) 0.0457(16) Uani 1 1 d D U . . .
C4_5 C 0.5138(8) 0.6328(4) 0.7954(4) 0.0349(18) Uani 1 1 d D U . . .
F7_5 F 0.5101(7) 0.6683(3) 0.8246(3) 0.0453(15) Uani 1 1 d D U . . .
F8_5 F 0.5585(7) 0.6652(3) 0.7398(3) 0.0494(18) Uani 1 1 d D U . . .
F9_5 F 0.4007(6) 0.6210(3) 0.7924(3) 0.0510(17) Uani 1 1 d D U . . .
O1_6 O 0.3442(5) 0.4571(3) 0.9503(3) 0.0257(12) Uani 1 1 d D U . . .
C1_6 C 0.2572(6) 0.4383(3) 0.9275(3) 0.0227(14) Uani 1 1 d D U . . .
C2_6 C 0.2368(8) 0.3701(4) 0.9670(4) 0.0329(18) Uani 1 1 d D U . . .
F1_6 F 0.3280(6) 0.3366(3) 0.9568(3) 0.0448(16) Uani 1 1 d D U . . .
F2_6 F 0.1337(6) 0.3525(3) 0.9572(4) 0.0489(17) Uani 1 1 d D U . . .
F3_6 F 0.2325(6) 0.3584(3) 1.0252(3) 0.0407(14) Uani 1 1 d D U . . .
C3_6 C 0.1366(7) 0.4757(4) 0.9279(4) 0.0316(17) Uani 1 1 d D U . . .
F4_6 F 0.1574(6) 0.5341(3) 0.9060(3) 0.0421(14) Uani 1 1 d D U . . .
F5_6 F 0.0880(5) 0.4588(3) 0.9844(3) 0.0395(14) Uani 1 1 d D U . . .
F6_6 F 0.0537(6) 0.4679(4) 0.8968(3) 0.0458(16) Uani 1 1 d D U . . .
C4_6 C 0.2967(7) 0.4471(4) 0.8623(3) 0.0308(17) Uani 1 1 d D U . . .
F7_6 F 0.2810(6) 0.5043(3) 0.8234(3) 0.0434(15) Uani 1 1 d D U . . .
F8_6 F 0.2329(6) 0.4131(3) 0.8459(3) 0.0442(16) Uani 1 1 d D U . . .
F9_6 F 0.4153(5) 0.4311(3) 0.8579(3) 0.0367(13) Uani 1 1 d D U . . .
O1_7 O 0.499(2) 0.1255(9) 0.9448(9) 0.024(4) Uani 0.578(13) 1 d D U P A 1
C1_7 C 0.4312(11) 0.1710(5) 0.9048(5) 0.021(3) Uani 0.578(13) 1 d D U P A 1
C2_7 C 0.3063(11) 0.1496(5) 0.9000(5) 0.029(3) Uani 0.578(13) 1 d D U P A 1
F1_7 F 0.2280(13) 0.1455(7) 0.9461(6) 0.034(3) Uani 0.578(13) 1 d D U P A 1
F2_7 F 0.2543(12) 0.1861(7) 0.8497(5) 0.036(3) Uani 0.578(13) 1 d D U P A 1
F3_7 F 0.318(2) 0.0947(7) 0.9014(11) 0.044(5) Uani 0.578(13) 1 d D U P A 1
C3_7 C 0.5061(11) 0.1930(5) 0.8428(5) 0.025(3) Uani 0.578(13) 1 d D U P A 1
F4_7 F 0.6235(11) 0.1974(10) 0.8484(10) 0.034(3) Uani 0.578(13) 1 d D U P A 1
F5_7 F 0.5007(16) 0.1544(8) 0.8183(7) 0.032(3) Uani 0.578(13) 1 d D U P A 1
F6_7 F 0.4641(12) 0.2470(5) 0.8046(5) 0.039(3) Uani 0.578(13) 1 d D U P A 1
C4_7 C 0.4114(11) 0.2247(5) 0.9230(5) 0.028(3) Uani 0.578(13) 1 d D U P A 1
F7_7 F 0.5127(14) 0.2554(8) 0.9100(9) 0.037(3) Uani 0.578(13) 1 d D U P A 1
F8_7 F 0.3223(12) 0.2635(6) 0.8935(7) 0.033(3) Uani 0.578(13) 1 d D U P A 1
F9_7 F 0.380(2) 0.2050(12) 0.9813(6) 0.037(5) Uani 0.578(13) 1 d D U P A 1
O1_8 O 0.507(3) 0.1282(12) 0.9484(13) 0.024(6) Uani 0.422(13) 1 d D U P A 2
C1_8 C 0.4396(13) 0.1736(7) 0.9080(6) 0.021(3) Uani 0.422(13) 1 d D U P A 2
C2_8 C 0.3888(14) 0.1516(7) 0.8651(7) 0.027(3) Uani 0.422(13) 1 d D U P A 2
F1_8 F 0.475(2) 0.1475(13) 0.8250(12) 0.044(6) Uani 0.422(13) 1 d D U P A 2
F2_8 F 0.2968(16) 0.1870(10) 0.8355(8) 0.038(4) Uani 0.422(13) 1 d D U P A 2
F3_8 F 0.345(3) 0.0966(8) 0.8960(12) 0.040(6) Uani 0.422(13) 1 d D U P A 2
C3_8 C 0.3313(13) 0.1957(6) 0.9397(6) 0.028(3) Uani 0.422(13) 1 d D U P A 2
F4_8 F 0.366(3) 0.2004(16) 0.9874(9) 0.036(6) Uani 0.422(13) 1 d D U P A 2
F5_8 F 0.2414(17) 0.1569(9) 0.9577(10) 0.035(5) Uani 0.422(13) 1 d D U P A 2
F6_8 F 0.2836(17) 0.2492(7) 0.9033(10) 0.033(4) Uani 0.422(13) 1 d D U P A 2
C4_8 C 0.5249(13) 0.2270(6) 0.8716(6) 0.028(3) Uani 0.422(13) 1 d D U P A 2
F7_8 F 0.545(2) 0.2572(12) 0.9030(11) 0.042(5) Uani 0.422(13) 1 d D U P A 2
F8_8 F 0.4763(14) 0.2657(6) 0.8210(6) 0.033(3) Uani 0.422(13) 1 d D U P A 2
F9_8 F 0.6328(15) 0.2068(12) 0.8567(13) 0.037(5) Uani 0.422(13) 1 d D U P A 2
O1_9 O 0.658(2) 0.0541(11) 1.0400(13) 0.023(5) Uani 0.548(13) 1 d D U P A 1
C1_9 C 0.7440(12) 0.0827(5) 1.0524(5) 0.025(3) Uani 0.548(13) 1 d D U P A 1
C2_9 C 0.7764(12) 0.0449(6) 1.1183(5) 0.031(3) Uani 0.548(13) 1 d D U P A 1
F1_9 F 0.6905(16) 0.0535(9) 1.1560(7) 0.051(4) Uani 0.548(13) 1 d D U P A 1
F2_9 F 0.8830(13) 0.0590(9) 1.1284(8) 0.039(3) Uani 0.548(13) 1 d D U P A 1
F3_9 F 0.782(2) -0.0140(6) 1.1315(11) 0.050(7) Uani 0.548(13) 1 d D U P A 1
C3_9 C 0.8604(12) 0.0866(6) 1.0098(6) 0.035(3) Uani 0.548(13) 1 d D U P A 1
F4_9 F 0.828(3) 0.1047(12) 0.9541(7) 0.051(7) Uani 0.548(13) 1 d D U P A 1
F5_9 F 0.9156(16) 0.0318(6) 1.0263(7) 0.043(4) Uani 0.548(13) 1 d D U P A 1
F6_9 F 0.9396(14) 0.1242(7) 1.0103(10) 0.044(4) Uani 0.548(13) 1 d D U P A 1
C4_9 C 0.7015(12) 0.1479(5) 1.0434(6) 0.033(3) Uani 0.548(13) 1 d D U P A 1
F7_9 F 0.7101(18) 0.1860(7) 0.9857(6) 0.044(4) Uani 0.548(13) 1 d D U P A 1
F8_9 F 0.7664(19) 0.1679(8) 1.0735(8) 0.039(4) Uani 0.548(13) 1 d D U P A 1
F9_9 F 0.5851(14) 0.1490(12) 1.0631(11) 0.052(6) Uani 0.548(13) 1 d D U P A 1
O1_10 O 0.648(2) 0.0562(14) 1.0380(14) 0.023(6) Uani 0.452(13) 1 d D U P A 2
C1_10 C 0.7370(13) 0.0835(6) 1.0504(6) 0.023(3) Uani 0.452(13) 1 d D U P A 2
C2_10 C 0.6826(15) 0.1149(7) 1.0909(7) 0.037(4) Uani 0.452(13) 1 d D U P A 2
F1_10 F 0.6560(19) 0.0745(8) 1.1466(7) 0.045(4) Uani 0.452(13) 1 d D U P A 2
F2_10 F 0.759(3) 0.1533(10) 1.0930(9) 0.045(5) Uani 0.452(13) 1 d D U P A 2
F3_10 F 0.5792(18) 0.1452(13) 1.0700(12) 0.045(6) Uani 0.452(13) 1 d D U P A 2
C3_10 C 0.8013(14) 0.1303(6) 0.9921(6) 0.031(4) Uani 0.452(13) 1 d D U P A 2
F4_10 F 0.820(3) 0.1097(12) 0.9502(9) 0.042(7) Uani 0.452(13) 1 d D U P A 2
F5_10 F 0.732(2) 0.1812(8) 0.9689(8) 0.045(5) Uani 0.452(13) 1 d D U P A 2
F6_10 F 0.9085(16) 0.1453(9) 1.0014(10) 0.041(5) Uani 0.452(13) 1 d D U P A 2
C4_10 C 0.8333(13) 0.0337(6) 1.0852(6) 0.031(3) Uani 0.452(13) 1 d D U P A 2
F7_10 F 0.9017(18) 0.0146(8) 1.0486(8) 0.041(4) Uani 0.452(13) 1 d D U P A 2
F8_10 F 0.9069(16) 0.0552(11) 1.1106(10) 0.042(5) Uani 0.452(13) 1 d D U P A 2
F9_10 F 0.780(2) -0.0130(8) 1.1292(9) 0.035(6) Uani 0.452(13) 1 d D U P A 2
O1_11 O 0.6453(6) 0.5758(4) 0.5132(4) 0.0262(15) Uani 0.857(7) 1 d D U P B 1
C1_11 C 0.7438(7) 0.6100(4) 0.5008(4) 0.0251(11) Uani 0.857(7) 1 d D U P B 1
C2_11 C 0.7728(8) 0.6453(4) 0.4321(4) 0.0297(13) Uani 0.857(7) 1 d D U P B 1
F1_11 F 0.7008(7) 0.6950(3) 0.4095(4) 0.0353(14) Uani 0.857(7) 1 d D U P B 1
F2_11 F 0.8888(6) 0.6620(4) 0.4181(4) 0.0419(16) Uani 0.857(7) 1 d D U P B 1
F3_11 F 0.7550(7) 0.6108(3) 0.4043(4) 0.0386(15) Uani 0.857(7) 1 d D U P B 1
C3_11 C 0.8537(8) 0.5663(4) 0.5288(5) 0.0344(14) Uani 0.857(7) 1 d D U P B 1
F4_11 F 0.8210(7) 0.5267(3) 0.5842(4) 0.0420(15) Uani 0.857(7) 1 d D U P B 1
F5_11 F 0.8910(8) 0.5363(4) 0.4958(4) 0.0444(17) Uani 0.857(7) 1 d D U P B 1
F6_11 F 0.9485(6) 0.5956(4) 0.5303(4) 0.0485(18) Uani 0.857(7) 1 d D U P B 1
C4_11 C 0.7211(8) 0.6559(4) 0.5289(4) 0.0277(13) Uani 0.857(7) 1 d D U P B 1
F7_11 F 0.7292(7) 0.6292(3) 0.5881(3) 0.0388(15) Uani 0.857(7) 1 d D U P B 1
F8_11 F 0.8004(8) 0.6995(4) 0.5073(5) 0.0349(18) Uani 0.857(7) 1 d D U P B 1
F9_11 F 0.6079(7) 0.6817(4) 0.5188(4) 0.0313(17) Uani 0.857(7) 1 d D U P B 1
O1_12 O 0.629(3) 0.576(2) 0.528(2) 0.033(4) Uani 0.143(7) 1 d D U P B 2
C1_12 C 0.736(2) 0.6013(11) 0.5243(10) 0.034(3) Uani 0.143(7) 1 d D U P B 2
C2_12 C 0.834(2) 0.5822(12) 0.4855(12) 0.037(3) Uani 0.143(7) 1 d D U P B 2
F1_12 F 0.877(4) 0.5258(14) 0.5167(18) 0.041(5) Uani 0.143(7) 1 d D U P B 2
F2_12 F 0.929(3) 0.6180(16) 0.4682(18) 0.040(4) Uani 0.143(7) 1 d D U P B 2
F3_12 F 0.788(3) 0.5852(19) 0.4367(15) 0.040(5) Uani 0.143(7) 1 d D U P B 2
C3_12 C 0.720(3) 0.6712(11) 0.4970(14) 0.034(3) Uani 0.143(7) 1 d D U P B 2
F4_12 F 0.621(5) 0.690(2) 0.521(2) 0.035(5) Uani 0.143(7) 1 d D U P B 2
F5_12 F 0.710(4) 0.6933(15) 0.4383(14) 0.035(4) Uani 0.143(7) 1 d D U P B 2
F6_12 F 0.817(5) 0.695(2) 0.506(3) 0.034(5) Uani 0.143(7) 1 d D U P B 2
C4_12 C 0.781(2) 0.5785(12) 0.5884(11) 0.036(3) Uani 0.143(7) 1 d D U P B 2
F7_12 F 0.713(3) 0.6043(17) 0.6193(16) 0.042(5) Uani 0.143(7) 1 d D U P B 2
F8_12 F 0.897(2) 0.5905(17) 0.5865(18) 0.042(5) Uani 0.143(7) 1 d D U P B 2
F9_12 F 0.771(3) 0.5190(11) 0.6174(16) 0.036(4) Uani 0.143(7) 1 d D U P B 2
O1_13 O 0.3661(5) 1.0503(2) 0.5690(3) 0.0200(11) Uani 1 1 d D U . . .
C1_13 C 0.3184(6) 1.1074(3) 0.5512(3) 0.0185(13) Uani 1 1 d D U . . .
C2_13 C 0.1770(6) 1.1054(3) 0.5530(3) 0.0222(14) Uani 1 1 d D U . . .
F1_13 F 0.1277(5) 1.0855(3) 0.6089(2) 0.0318(12) Uani 1 1 d D U . . .
F2_13 F 0.1264(5) 1.1602(2) 0.5209(3) 0.0319(12) Uani 1 1 d D U . . .
F3_13 F 0.1476(5) 1.0687(3) 0.5299(3) 0.0288(11) Uani 1 1 d D U . . .
C3_13 C 0.3689(7) 1.1477(3) 0.4866(3) 0.0233(15) Uani 1 1 d D U . . .
F4_13 F 0.4885(5) 1.1363(3) 0.4797(2) 0.0300(11) Uani 1 1 d D U . . .
F5_13 F 0.3149(5) 1.1365(3) 0.4465(2) 0.0294(11) Uani 1 1 d D U . . .
F6_13 F 0.3517(5) 1.2067(2) 0.4723(2) 0.0288(11) Uani 1 1 d D U . . .
C4_13 C 0.3496(7) 1.1340(3) 0.5948(3) 0.0246(15) Uani 1 1 d D U . . .
F7_13 F 0.4649(5) 1.1515(3) 0.5830(3) 0.0336(12) Uani 1 1 d D U . . .
F8_13 F 0.2774(5) 1.1823(2) 0.5900(3) 0.0296(11) Uani 1 1 d D U . . .
F9_13 F 0.3386(5) 1.0934(3) 0.6512(2) 0.0314(12) Uani 1 1 d D U . . .
O1_14 O 0.4900(5) 0.9364(2) 0.6242(3) 0.0219(12) Uani 1 1 d D U . . .
C1_14 C 0.4202(6) 0.8946(3) 0.6689(3) 0.0204(13) Uani 1 1 d D U . . .
C2_14 C 0.4882(7) 0.8320(3) 0.6853(3) 0.0267(16) Uani 1 1 d D U . . .
F1_14 F 0.4769(6) 0.8120(3) 0.6445(3) 0.0336(12) Uani 1 1 d D U . . .
F2_14 F 0.4452(6) 0.7909(3) 0.7386(3) 0.0392(15) Uani 1 1 d D U . . .
F3_14 F 0.6070(5) 0.8361(3) 0.6882(3) 0.0344(12) Uani 1 1 d D U . . .
C3_14 C 0.4045(8) 0.9085(4) 0.7252(3) 0.0302(17) Uani 1 1 d D U . . .
F4_14 F 0.3816(7) 0.9672(2) 0.7091(3) 0.0397(15) Uani 1 1 d D U . . .
F5_14 F 0.5055(6) 0.8925(3) 0.7547(3) 0.0433(15) Uani 1 1 d D U . . .
F6_14 F 0.3123(6) 0.8789(3) 0.7632(2) 0.0377(14) Uani 1 1 d D U . . .
C4_14 C 0.2922(7) 0.8934(3) 0.6483(3) 0.0271(16) Uani 1 1 d D U . . .
F7_14 F 0.2203(5) 0.9399(3) 0.6491(3) 0.0377(14) Uani 1 1 d D U . . .
F8_14 F 0.2345(5) 0.8429(3) 0.6831(3) 0.0348(13) Uani 1 1 d D U . . .
F9_14 F 0.3025(6) 0.8985(3) 0.5925(3) 0.0419(15) Uani 1 1 d D U . . .
O1_15 O 0.6307(5) 1.0407(3) 0.5631(3) 0.0249(12) Uani 1 1 d D U . . .
C1_15 C 0.7357(6) 1.0425(3) 0.5857(3) 0.0212(14) Uani 1 1 d D U . . .
C2_15 C 0.7183(7) 1.0217(4) 0.6549(3) 0.0323(17) Uani 1 1 d D U . . .
F1_15 F 0.7183(6) 0.9618(3) 0.6841(3) 0.0437(15) Uani 1 1 d D U . . .
F2_15 F 0.8062(6) 1.0402(4) 0.6755(3) 0.0503(18) Uani 1 1 d D U . . .
F3_15 F 0.6112(6) 1.0427(4) 0.6695(3) 0.0488(17) Uani 1 1 d D U . . .
C3_15 C 0.7771(7) 1.1085(3) 0.5564(4) 0.0284(16) Uani 1 1 d D U . . .
F4_15 F 0.7608(6) 1.1341(3) 0.4974(3) 0.0384(13) Uani 1 1 d D U . . .
F5_15 F 0.7111(6) 1.1425(3) 0.5792(3) 0.0428(15) Uani 1 1 d D U . . .
F6_15 F 0.8939(5) 1.1127(3) 0.5627(3) 0.0403(15) Uani 1 1 d D U . . .
C4_15 C 0.8351(7) 1.0003(3) 0.5723(4) 0.0290(16) Uani 1 1 d D U . . .
F7_15 F 0.8745(6) 1.0252(3) 0.5145(3) 0.0432(15) Uani 1 1 d D U . . .
F8_15 F 0.9317(5) 0.9898(3) 0.6034(3) 0.0419(15) Uani 1 1 d D U . . .
F9_15 F 0.7882(6) 0.9478(3) 0.5835(3) 0.0406(15) Uani 1 1 d D U . . .
O1_17 O 0.3843(6) 0.5694(3) 0.5544(3) 0.0256(13) Uani 1 1 d D U . . .
C1_17 C 0.3435(7) 0.5507(3) 0.6129(3) 0.0242(14) Uani 1 1 d D U . . .
C2_17 C 0.2057(7) 0.5388(4) 0.6195(4) 0.0292(16) Uani 1 1 d D U . . .
F1_17 F 0.1394(5) 0.5906(3) 0.6016(3) 0.0359(13) Uani 1 1 d D U . . .
F2_17 F 0.1664(6) 0.5042(3) 0.6761(3) 0.0431(15) Uani 1 1 d D U . . .
F3_17 F 0.1814(6) 0.5118(3) 0.5856(3) 0.0406(14) Uani 1 1 d D U . . .
C3_17 C 0.4152(8) 0.4911(4) 0.6521(3) 0.0325(18) Uani 1 1 d D U . . .
F4_17 F 0.5337(6) 0.4961(3) 0.6364(3) 0.0468(16) Uani 1 1 d D U . . .
F5_17 F 0.3781(7) 0.4455(3) 0.6432(3) 0.0452(16) Uani 1 1 d D U . . .
F6_17 F 0.3985(7) 0.4771(3) 0.7103(2) 0.0408(15) Uani 1 1 d D U . . .
C4_17 C 0.3633(7) 0.6008(3) 0.6336(3) 0.0270(16) Uani 1 1 d D U . . .
F7_17 F 0.4809(5) 0.6035(3) 0.6397(3) 0.0377(13) Uani 1 1 d D U . . .
F8_17 F 0.3003(6) 0.5916(3) 0.6852(3) 0.0362(13) Uani 1 1 d D U . . .
F9_17 F 0.3274(6) 0.6548(2) 0.5923(2) 0.0325(12) Uani 1 1 d D U . . .
O1_18 O 0.463(2) 0.6237(12) 0.4323(12) 0.025(4) Uani 0.56(3) 1 d D U P B 1
C1_18 C 0.3804(14) 0.6653(7) 0.3968(6) 0.0259(19) Uani 0.56(3) 1 d D U P B 1
C2_18 C 0.2533(14) 0.6385(7) 0.4084(8) 0.034(3) Uani 0.56(3) 1 d D U P B 1
F1_18 F 0.1954(15) 0.6385(8) 0.4585(8) 0.038(3) Uani 0.56(3) 1 d D U P B 1
F2_18 F 0.1828(18) 0.6687(9) 0.3630(10) 0.049(4) Uani 0.56(3) 1 d D U P B 1
F3_18 F 0.2654(18) 0.5812(6) 0.4159(10) 0.046(4) Uani 0.56(3) 1 d D U P B 1
C3_18 C 0.4293(18) 0.6816(7) 0.3307(6) 0.037(3) Uani 0.56(3) 1 d D U P B 1
F4_18 F 0.5483(17) 0.6908(8) 0.3229(8) 0.047(4) Uani 0.56(3) 1 d D U P B 1
F5_18 F 0.414(2) 0.6366(8) 0.3159(8) 0.051(4) Uani 0.56(3) 1 d D U P B 1
F6_18 F 0.372(2) 0.7311(8) 0.2923(9) 0.051(5) Uani 0.56(3) 1 d D U P B 1
C4_18 C 0.372(2) 0.7227(8) 0.4085(8) 0.026(2) Uani 0.56(3) 1 d D U P B 1
F7_18 F 0.468(2) 0.7564(10) 0.3834(10) 0.037(4) Uani 0.56(3) 1 d D U P B 1
F8_18 F 0.271(2) 0.7566(12) 0.3882(14) 0.032(4) Uani 0.56(3) 1 d D U P B 1
F9_18 F 0.367(3) 0.7075(11) 0.4669(8) 0.032(4) Uani 0.56(3) 1 d D U P B 1
O1_19 O 0.458(3) 0.6236(16) 0.4324(14) 0.026(4) Uani 0.44(3) 1 d D U P B 2
C1_19 C 0.3681(17) 0.6626(9) 0.4005(7) 0.025(2) Uani 0.44(3) 1 d D U P B 2
C2_19 C 0.374(2) 0.7252(10) 0.4016(10) 0.025(3) Uani 0.44(3) 1 d D U P B 2
F1_19 F 0.469(3) 0.7553(12) 0.3674(11) 0.034(4) Uani 0.44(3) 1 d D U P B 2
F2_19 F 0.274(3) 0.7598(14) 0.3803(18) 0.031(5) Uani 0.44(3) 1 d D U P B 2
F3_19 F 0.384(4) 0.7193(14) 0.4568(10) 0.033(4) Uani 0.44(3) 1 d D U P B 2
C3_19 C 0.2400(17) 0.6371(8) 0.4252(9) 0.030(3) Uani 0.44(3) 1 d D U P B 2
F4_19 F 0.241(2) 0.5783(7) 0.4403(11) 0.038(4) Uani 0.44(3) 1 d D U P B 2
F5_19 F 0.2026(18) 0.6465(10) 0.4731(8) 0.033(3) Uani 0.44(3) 1 d D U P B 2
F6_19 F 0.1564(18) 0.6642(9) 0.3851(10) 0.038(4) Uani 0.44(3) 1 d D U P B 2
C4_19 C 0.391(2) 0.6713(9) 0.3344(8) 0.038(3) Uani 0.44(3) 1 d D U P B 2
F7_19 F 0.358(3) 0.6223(9) 0.3299(10) 0.051(5) Uani 0.44(3) 1 d D U P B 2
F8_19 F 0.329(2) 0.7197(10) 0.2974(10) 0.042(5) Uani 0.44(3) 1 d D U P B 2
F9_19 F 0.509(2) 0.6782(12) 0.3167(8) 0.050(4) Uani 0.44(3) 1 d D U P B 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ru2 2.6912(12) . ?
Ag1 Ru1 2.6917(12) . ?
Ag2 Ru3 2.6707(14) . ?
Ag2 Ru4 2.6739(14) . ?
Ru1 C4 1.960(10) . ?
Ru1 C3 1.969(11) . ?
Ru1 C2 1.969(10) . ?
Ru1 C5 1.981(10) . ?
Ru1 C1 1.993(9) . ?
Ru2 C6 1.959(11) . ?
Ru2 C7 1.974(9) . ?
Ru2 C8 1.980(11) . ?
Ru2 C9 1.984(10) . ?
Ru2 C10 2.024(10) . ?
Ru3 C13 1.969(11) . ?
Ru3 C12 1.971(10) . ?
Ru3 C14 1.974(9) . ?
Ru3 C15 1.975(10) . ?
Ru3 C11 1.989(9) . ?
Ru4 C19 1.968(9) . ?
Ru4 C17 1.969(10) . ?
Ru4 C16 1.972(11) . ?
Ru4 C18 1.975(11) . ?
Ru4 C20 2.002(9) . ?
Al1 O1_10 1.65(2) . ?
Al1 O1_8 1.69(2) . ?
Al1 O1_1 1.693(6) . ?
Al1 O1_7 1.713(16) . ?
Al1 O1_9 1.77(2) . ?
Al1 F1 1.781(2) . ?
Al2 O1_5 1.688(6) . ?
Al2 O1_4 1.696(7) . ?
Al2 O1_6 1.708(6) . ?
Al2 F2 1.776(2) . ?
Al3 O1_12 1.68(3) . ?
Al3 O1_18 1.69(2) . ?
Al3 O1_19 1.70(3) . ?
Al3 O1_17 1.704(6) . ?
Al3 O1_11 1.706(8) . ?
Al3 F3 1.773(2) . ?
Al4 O1_15 1.699(6) . ?
Al4 O1_14 1.708(6) . ?
Al4 O1_13 1.716(6) . ?
Al4 F4 1.774(2) . ?
O4 C4 1.134(13) . ?
O5 C5 1.098(13) . ?
O1 C1 1.124(12) . ?
O2 C2 1.118(12) . ?
O3 C3 1.123(13) . ?
O6 C6 1.129(13) . ?
O7 C7 1.131(12) . ?
O8 C8 1.106(13) . ?
O9 C9 1.087(12) . ?
O10 C10 1.098(12) . ?
O11 C11 1.133(12) . ?
O13 C13 1.119(13) . ?
O14 C14 1.131(12) . ?
O15 C15 1.103(13) . ?
O16 C16 1.119(13) . ?
O17 C17 1.122(13) . ?
O18 C18 1.111(13) . ?
O19 C19 1.117(11) . ?
O20 C20 1.128(12) . ?
O12 C12 1.106(13) . ?
O1_1 C1_1 1.355(8) . ?
C1_1 C2_1 1.550(9) . ?
C1_1 C4_1 1.552(9) . ?
C1_1 C3_1 1.553(9) . ?
C2_1 F2_1 1.324(9) . ?
C2_1 F1_1 1.332(11) . ?
C2_1 F3_1 1.335(10) . ?
C3_1 F4_1 1.325(10) . ?
C3_1 F6_1 1.333(9) . ?
C3_1 F5_1 1.334(9) . ?
C4_1 F9_1 1.318(9) . ?
C4_1 F7_1 1.330(8) . ?
C4_1 F8_1 1.343(8) . ?
O1_4 C1_4 1.356(8) . ?
C1_4 C2_4 1.545(9) . ?
C1_4 C3_4 1.553(9) . ?
C1_4 C4_4 1.556(9) . ?
C2_4 F2_4 1.331(9) . ?
C2_4 F1_4 1.332(9) . ?
C2_4 F3_4 1.337(9) . ?
C3_4 F6_4 1.326(9) . ?
C3_4 F4_4 1.331(8) . ?
C3_4 F5_4 1.334(8) . ?
C4_4 F9_4 1.331(9) . ?
C4_4 F7_4 1.334(9) . ?
C4_4 F8_4 1.334(9) . ?
O1_5 C1_5 1.355(8) . ?
C1_5 C3_5 1.547(9) . ?
C1_5 C2_5 1.552(9) . ?
C1_5 C4_5 1.553(9) . ?
C2_5 F1_5 1.325(9) . ?
C2_5 F2_5 1.334(9) . ?
C2_5 F3_5 1.336(9) . ?
C3_5 F5_5 1.331(9) . ?
C3_5 F4_5 1.331(9) . ?
C3_5 F6_5 1.346(9) . ?
C4_5 F9_5 1.317(9) . ?
C4_5 F8_5 1.326(9) . ?
C4_5 F7_5 1.347(9) . ?
O1_6 C1_6 1.360(8) . ?
C1_6 C3_6 1.552(9) . ?
C1_6 C4_6 1.555(9) . ?
C1_6 C2_6 1.557(9) . ?
C2_6 F1_6 1.319(9) . ?
C2_6 F2_6 1.326(9) . ?
C2_6 F3_6 1.340(9) . ?
C3_6 F6_6 1.327(9) . ?
C3_6 F4_6 1.328(9) . ?
C3_6 F5_6 1.344(9) . ?
C4_6 F7_6 1.328(9) . ?
C4_6 F9_6 1.339(9) . ?
C4_6 F8_6 1.342(9) . ?
O1_7 C1_7 1.361(11) . ?
C1_7 C2_7 1.544(11) . ?
C1_7 C4_7 1.559(11) . ?
C1_7 C3_7 1.561(11) . ?
C2_7 F3_7 1.330(12) . ?
C2_7 F1_7 1.333(12) . ?
C2_7 F2_7 1.334(12) . ?
C3_7 F4_7 1.330(12) . ?
C3_7 F5_7 1.333(12) . ?
C3_7 F6_7 1.333(11) . ?
C4_7 F9_7 1.328(12) . ?
C4_7 F7_7 1.331(12) . ?
C4_7 F8_7 1.338(11) . ?
O1_8 C1_8 1.361(12) . ?
C1_8 C2_8 1.546(12) . ?
C1_8 C3_8 1.550(12) . ?
C1_8 C4_8 1.559(12) . ?
C2_8 F2_8 1.332(12) . ?
C2_8 F1_8 1.333(13) . ?
C2_8 F3_8 1.337(13) . ?
C3_8 F4_8 1.328(13) . ?
C3_8 F6_8 1.334(12) . ?
C3_8 F5_8 1.337(12) . ?
C4_8 F7_8 1.325(13) . ?
C4_8 F9_8 1.328(13) . ?
C4_8 F8_8 1.337(12) . ?
O1_9 C1_9 1.357(12) . ?
C1_9 C2_9 1.553(11) . ?
C1_9 C4_9 1.553(11) . ?
C1_9 C3_9 1.559(11) . ?
C2_9 F2_9 1.328(12) . ?
C2_9 F1_9 1.330(12) . ?
C2_9 F3_9 1.334(12) . ?
C3_9 F6_9 1.326(12) . ?
C3_9 F4_9 1.332(12) . ?
C3_9 F5_9 1.336(12) . ?
C4_9 F9_9 1.327(12) . ?
C4_9 F7_9 1.329(12) . ?
C4_9 F8_9 1.337(12) . ?
O1_10 C1_10 1.357(12) . ?
C1_10 C3_10 1.553(12) . ?
C1_10 C2_10 1.556(12) . ?
C1_10 C4_10 1.557(12) . ?
C2_10 F1_10 1.328(13) . ?
C2_10 F3_10 1.329(13) . ?
C2_10 F2_10 1.332(13) . ?
C3_10 F4_10 1.330(13) . ?
C3_10 F5_10 1.332(13) . ?
C3_10 F6_10 1.334(12) . ?
C4_10 F9_10 1.327(13) . ?
C4_10 F7_10 1.333(12) . ?
C4_10 F8_10 1.336(12) . ?
O1_11 C1_11 1.354(9) . ?
C1_11 C3_11 1.552(9) . ?
C1_11 C4_11 1.553(9) . ?
C1_11 C2_11 1.554(10) . ?
C2_11 F1_11 1.330(9) . ?
C2_11 F3_11 1.335(9) . ?
C2_11 F2_11 1.340(9) . ?
C3_11 F6_11 1.328(10) . ?
C3_11 F4_11 1.331(10) . ?
C3_11 F5_11 1.331(10) . ?
C4_11 F8_11 1.328(10) . ?
C4_11 F7_11 1.334(10) . ?
C4_11 F9_11 1.345(9) . ?
O1_12 C1_12 1.355(14) . ?
C1_12 C2_12 1.552(13) . ?
C1_12 C3_12 1.552(13) . ?
C1_12 C4_12 1.556(13) . ?
C2_12 F3_12 1.330(13) . ?
C2_12 F2_12 1.331(14) . ?
C2_12 F1_12 1.333(14) . ?
C3_12 F5_12 1.328(14) . ?
C3_12 F4_12 1.331(14) . ?
C3_12 F6_12 1.335(14) . ?
C4_12 F8_12 1.330(14) . ?
C4_12 F9_12 1.330(14) . ?
C4_12 F7_12 1.331(13) . ?
O1_13 C1_13 1.353(8) . ?
C1_13 C3_13 1.549(8) . ?
C1_13 C2_13 1.556(8) . ?
C1_13 C4_13 1.557(8) . ?
C2_13 F1_13 1.328(8) . ?
C2_13 F3_13 1.330(8) . ?
C2_13 F2_13 1.339(8) . ?
C3_13 F4_13 1.333(8) . ?
C3_13 F6_13 1.335(8) . ?
C3_13 F5_13 1.340(8) . ?
C4_13 F9_13 1.324(8) . ?
C4_13 F7_13 1.338(8) . ?
C4_13 F8_13 1.340(8) . ?
O1_14 C1_14 1.361(8) . ?
C1_14 C4_14 1.552(9) . ?
C1_14 C2_14 1.555(9) . ?
C1_14 C3_14 1.560(9) . ?
C2_14 F1_14 1.319(8) . ?
C2_14 F3_14 1.330(9) . ?
C2_14 F2_14 1.340(8) . ?
C3_14 F4_14 1.329(8) . ?
C3_14 F5_14 1.330(9) . ?
C3_14 F6_14 1.338(9) . ?
C4_14 F9_14 1.330(8) . ?
C4_14 F8_14 1.338(8) . ?
C4_14 F7_14 1.338(8) . ?
O1_15 C1_15 1.345(8) . ?
C1_15 C3_15 1.551(9) . ?
C1_15 C4_15 1.552(8) . ?
C1_15 C2_15 1.559(9) . ?
C2_15 F3_15 1.327(9) . ?
C2_15 F1_15 1.332(9) . ?
C2_15 F2_15 1.332(9) . ?
C3_15 F6_15 1.328(8) . ?
C3_15 F5_15 1.329(8) . ?
C3_15 F4_15 1.345(9) . ?
C4_15 F8_15 1.318(9) . ?
C4_15 F9_15 1.333(9) . ?
C4_15 F7_15 1.335(9) . ?
O1_17 C1_17 1.358(8) . ?
C1_17 C2_17 1.547(9) . ?
C1_17 C4_17 1.561(9) . ?
C1_17 C3_17 1.563(9) . ?
C2_17 F3_17 1.329(8) . ?
C2_17 F1_17 1.331(9) . ?
C2_17 F2_17 1.339(9) . ?
C3_17 F4_17 1.323(9) . ?
C3_17 F6_17 1.328(8) . ?
C3_17 F5_17 1.333(9) . ?
C4_17 F7_17 1.328(9) . ?
C4_17 F8_17 1.329(8) . ?
C4_17 F9_17 1.337(8) . ?
O1_18 C1_18 1.371(11) . ?
C1_18 C2_18 1.543(11) . ?
C1_18 C4_18 1.551(11) . ?
C1_18 C3_18 1.557(11) . ?
C2_18 F2_18 1.334(12) . ?
C2_18 F3_18 1.334(12) . ?
C2_18 F1_18 1.337(12) . ?
C3_18 F4_18 1.328(12) . ?
C3_18 F5_18 1.330(12) . ?
C3_18 F6_18 1.336(12) . ?
C4_18 F9_18 1.325(11) . ?
C4_18 F7_18 1.327(12) . ?
C4_18 F8_18 1.331(11) . ?
O1_19 C1_19 1.365(12) . ?
C1_19 C3_19 1.549(12) . ?
C1_19 C2_19 1.553(12) . ?
C1_19 C4_19 1.554(12) . ?
C2_19 F3_19 1.326(12) . ?
C2_19 F1_19 1.330(12) . ?
C2_19 F2_19 1.331(12) . ?
C3_19 F5_19 1.324(12) . ?
C3_19 F4_19 1.325(12) . ?
C3_19 F6_19 1.336(12) . ?
C4_19 F8_19 1.330(12) . ?
C4_19 F9_19 1.332(13) . ?
C4_19 F7_19 1.334(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
Ru2 Ag1 Ru1 171.41(4) . . ?
Ru3 Ag2 Ru4 171.98(4) . . ?
C4 Ru1 C3 88.0(4) . . ?
C4 Ru1 C2 163.1(4) . . ?
C3 Ru1 C2 90.7(4) . . ?
C4 Ru1 C5 87.7(4) . . ?
C3 Ru1 C5 164.5(4) . . ?
C2 Ru1 C5 89.2(4) . . ?
C4 Ru1 C1 100.5(4) . . ?
C3 Ru1 C1 96.5(4) . . ?
C2 Ru1 C1 96.3(4) . . ?
C5 Ru1 C1 98.9(4) . . ?
C4 Ru1 Ag1 82.4(3) . . ?
C3 Ru1 Ag1 82.6(3) . . ?
C2 Ru1 Ag1 80.7(3) . . ?
C5 Ru1 Ag1 82.1(3) . . ?
C1 Ru1 Ag1 176.9(3) . . ?
C6 Ru2 C7 88.3(4) . . ?
C6 Ru2 C8 163.6(4) . . ?
C7 Ru2 C8 88.8(4) . . ?
C6 Ru2 C9 88.5(4) . . ?
C7 Ru2 C9 163.0(4) . . ?
C8 Ru2 C9 89.6(4) . . ?
C6 Ru2 C10 98.1(4) . . ?
C7 Ru2 C10 98.5(4) . . ?
C8 Ru2 C10 98.3(4) . . ?
C9 Ru2 C10 98.4(4) . . ?
C6 Ru2 Ag1 81.8(3) . . ?
C7 Ru2 Ag1 86.3(3) . . ?
C8 Ru2 Ag1 81.9(3) . . ?
C9 Ru2 Ag1 76.8(3) . . ?
C10 Ru2 Ag1 175.2(3) . . ?
C13 Ru3 C12 87.6(5) . . ?
C13 Ru3 C14 89.5(4) . . ?
C12 Ru3 C14 162.4(4) . . ?
C13 Ru3 C15 162.4(4) . . ?
C12 Ru3 C15 87.6(4) . . ?
C14 Ru3 C15 90.1(4) . . ?
C13 Ru3 C11 97.3(4) . . ?
C12 Ru3 C11 100.2(4) . . ?
C14 Ru3 C11 97.4(4) . . ?
C15 Ru3 C11 100.2(4) . . ?
C13 Ru3 Ag2 80.7(3) . . ?
C12 Ru3 Ag2 83.1(3) . . ?
C14 Ru3 Ag2 79.3(3) . . ?
C15 Ru3 Ag2 81.9(3) . . ?
C11 Ru3 Ag2 176.1(3) . . ?
C19 Ru4 C17 159.4(4) . . ?
C19 Ru4 C16 88.9(4) . . ?
C17 Ru4 C16 89.9(5) . . ?
C19 Ru4 C18 86.6(4) . . ?
C17 Ru4 C18 89.1(4) . . ?
C16 Ru4 C18 164.5(4) . . ?
C19 Ru4 C20 99.2(4) . . ?
C17 Ru4 C20 101.3(4) . . ?
C16 Ru4 C20 98.2(4) . . ?
C18 Ru4 C20 97.1(4) . . ?
C19 Ru4 Ag2 78.6(2) . . ?
C17 Ru4 Ag2 80.9(3) . . ?
C16 Ru4 Ag2 85.1(3) . . ?
C18 Ru4 Ag2 79.4(3) . . ?
C20 Ru4 Ag2 176.0(3) . . ?
O1_10 Al1 O1_8 108.2(15) . . ?
O1_10 Al1 O1_1 116.8(11) . . ?
O1_8 Al1 O1_1 111.6(11) . . ?
O1_1 Al1 O1_7 111.5(8) . . ?
O1_1 Al1 O1_9 116.9(10) . . ?
O1_7 Al1 O1_9 113.1(12) . . ?
O1_10 Al1 F1 103.1(10) . . ?
O1_8 Al1 F1 110.4(12) . . ?
O1_1 Al1 F1 106.3(3) . . ?
O1_7 Al1 F1 105.5(9) . . ?
O1_9 Al1 F1 102.1(8) . . ?
O1_5 Al2 O1_4 112.6(4) . . ?
O1_5 Al2 O1_6 111.7(4) . . ?
O1_4 Al2 O1_6 115.2(4) . . ?
O1_5 Al2 F2 105.5(3) . . ?
O1_4 Al2 F2 108.0(3) . . ?
O1_6 Al2 F2 102.7(2) . . ?
O1_12 Al3 O1_19 120.6(19) . . ?
O1_12 Al3 O1_17 106.1(15) . . ?
O1_18 Al3 O1_17 111.8(9) . . ?
O1_19 Al3 O1_17 110.1(12) . . ?
O1_18 Al3 O1_11 110.8(10) . . ?
O1_17 Al3 O1_11 119.4(4) . . ?
O1_12 Al3 F3 107.2(15) . . ?
O1_18 Al3 F3 107.1(11) . . ?
O1_19 Al3 F3 106.8(14) . . ?
O1_17 Al3 F3 105.0(3) . . ?
O1_11 Al3 F3 101.3(3) . . ?
O1_15 Al4 O1_14 113.3(3) . . ?
O1_15 Al4 O1_13 116.0(3) . . ?
O1_14 Al4 O1_13 111.3(3) . . ?
O1_15 Al4 F4 104.4(2) . . ?
O1_14 Al4 F4 106.2(2) . . ?
O1_13 Al4 F4 104.5(2) . . ?
Al1 F1 Al1 180.0 2_657 . ?
Al2 F2 Al2 180.0 2_667 . ?
Al3 F3 Al3 180.0 . 2_666 ?
Al4 F4 Al4 180.0 2_676 . ?
O6 C6 Ru2 178.8(10) . . ?
O1 C1 Ru1 177.5(9) . . ?
O2 C2 Ru1 178.1(9) . . ?
O3 C3 Ru1 178.6(9) . . ?
O4 C4 Ru1 178.6(11) . . ?
O5 C5 Ru1 178.5(10) . . ?
O7 C7 Ru2 177.8(9) . . ?
O8 C8 Ru2 178.9(9) . . ?
O9 C9 Ru2 178.2(11) . . ?
O10 C10 Ru2 179.5(11) . . ?
O11 C11 Ru3 178.6(10) . . ?
O12 C12 Ru3 178.3(11) . . ?
O13 C13 Ru3 179.0(9) . . ?
O14 C14 Ru3 179.0(10) . . ?
O15 C15 Ru3 176.5(9) . . ?
O16 C16 Ru4 179.4(10) . . ?
O17 C17 Ru4 178.3(10) . . ?
O18 C18 Ru4 177.3(11) . . ?
O19 C19 Ru4 178.0(8) . . ?
O20 C20 Ru4 178.0(9) . . ?
C1_1 O1_1 Al1 151.6(6) . . ?
O1_1 C1_1 C2_1 108.1(6) . . ?
O1_1 C1_1 C4_1 109.3(6) . . ?
C2_1 C1_1 C4_1 109.9(6) . . ?
O1_1 C1_1 C3_1 110.3(6) . . ?
C2_1 C1_1 C3_1 109.5(7) . . ?
C4_1 C1_1 C3_1 109.8(6) . . ?
F2_1 C2_1 F1_1 107.6(9) . . ?
F2_1 C2_1 F3_1 107.7(8) . . ?
F1_1 C2_1 F3_1 107.5(8) . . ?
F2_1 C2_1 C1_1 112.2(8) . . ?
F1_1 C2_1 C1_1 110.7(7) . . ?
F3_1 C2_1 C1_1 110.9(7) . . ?
F4_1 C3_1 F6_1 107.6(8) . . ?
F4_1 C3_1 F5_1 108.9(8) . . ?
F6_1 C3_1 F5_1 107.4(7) . . ?
F4_1 C3_1 C1_1 110.5(6) . . ?
F6_1 C3_1 C1_1 112.0(7) . . ?
F5_1 C3_1 C1_1 110.3(7) . . ?
F9_1 C4_1 F7_1 108.6(7) . . ?
F9_1 C4_1 F8_1 108.2(7) . . ?
F7_1 C4_1 F8_1 106.7(7) . . ?
F9_1 C4_1 C1_1 110.6(6) . . ?
F7_1 C4_1 C1_1 110.3(6) . . ?
F8_1 C4_1 C1_1 112.2(7) . . ?
C1_4 O1_4 Al2 152.6(6) . . ?
O1_4 C1_4 C2_4 110.6(7) . . ?
O1_4 C1_4 C3_4 109.6(6) . . ?
C2_4 C1_4 C3_4 110.2(6) . . ?
O1_4 C1_4 C4_4 107.0(6) . . ?
C2_4 C1_4 C4_4 109.9(6) . . ?
C3_4 C1_4 C4_4 109.6(6) . . ?
F2_4 C2_4 F1_4 107.3(7) . . ?
F2_4 C2_4 F3_4 107.7(8) . . ?
F1_4 C2_4 F3_4 107.9(7) . . ?
F2_4 C2_4 C1_4 112.3(7) . . ?
F1_4 C2_4 C1_4 111.6(7) . . ?
F3_4 C2_4 C1_4 110.0(7) . . ?
F6_4 C3_4 F4_4 108.3(7) . . ?
F6_4 C3_4 F5_4 108.1(7) . . ?
F4_4 C3_4 F5_4 107.3(7) . . ?
F6_4 C3_4 C1_4 112.4(6) . . ?
F4_4 C3_4 C1_4 110.6(6) . . ?
F5_4 C3_4 C1_4 109.9(6) . . ?
F9_4 C4_4 F7_4 108.0(7) . . ?
F9_4 C4_4 F8_4 107.7(7) . . ?
F7_4 C4_4 F8_4 107.8(7) . . ?
F9_4 C4_4 C1_4 111.2(6) . . ?
F7_4 C4_4 C1_4 110.5(6) . . ?
F8_4 C4_4 C1_4 111.5(7) . . ?
C1_5 O1_5 Al2 155.7(6) . . ?
O1_5 C1_5 C3_5 111.0(6) . . ?
O1_5 C1_5 C2_5 110.3(6) . . ?
C3_5 C1_5 C2_5 108.8(6) . . ?
O1_5 C1_5 C4_5 107.3(6) . . ?
C3_5 C1_5 C4_5 110.1(6) . . ?
C2_5 C1_5 C4_5 109.3(6) . . ?
F1_5 C2_5 F2_5 107.8(7) . . ?
F1_5 C2_5 F3_5 106.2(7) . . ?
F2_5 C2_5 F3_5 107.6(7) . . ?
F1_5 C2_5 C1_5 111.1(7) . . ?
F2_5 C2_5 C1_5 113.0(7) . . ?
F3_5 C2_5 C1_5 110.9(6) . . ?
F5_5 C3_5 F4_5 107.3(7) . . ?
F5_5 C3_5 F6_5 107.8(7) . . ?
F4_5 C3_5 F6_5 107.6(7) . . ?
F5_5 C3_5 C1_5 111.1(7) . . ?
F4_5 C3_5 C1_5 110.6(7) . . ?
F6_5 C3_5 C1_5 112.3(7) . . ?
F9_5 C4_5 F8_5 107.4(8) . . ?
F9_5 C4_5 F7_5 108.1(7) . . ?
F8_5 C4_5 F7_5 106.9(7) . . ?
F9_5 C4_5 C1_5 111.2(7) . . ?
F8_5 C4_5 C1_5 113.0(7) . . ?
F7_5 C4_5 C1_5 110.0(7) . . ?
C1_6 O1_6 Al2 145.4(5) . . ?
O1_6 C1_6 C3_6 108.5(6) . . ?
O1_6 C1_6 C4_6 111.0(6) . . ?
C3_6 C1_6 C4_6 109.6(6) . . ?
O1_6 C1_6 C2_6 109.5(6) . . ?
C3_6 C1_6 C2_6 109.6(6) . . ?
C4_6 C1_6 C2_6 108.6(6) . . ?
F1_6 C2_6 F2_6 108.1(7) . . ?
F1_6 C2_6 F3_6 107.4(7) . . ?
F2_6 C2_6 F3_6 107.8(7) . . ?
F1_6 C2_6 C1_6 110.5(7) . . ?
F2_6 C2_6 C1_6 112.6(7) . . ?
F3_6 C2_6 C1_6 110.2(6) . . ?
F6_6 C3_6 F4_6 109.0(7) . . ?
F6_6 C3_6 F5_6 107.6(7) . . ?
F4_6 C3_6 F5_6 107.2(7) . . ?
F6_6 C3_6 C1_6 112.1(6) . . ?
F4_6 C3_6 C1_6 110.7(7) . . ?
F5_6 C3_6 C1_6 110.0(7) . . ?
F7_6 C4_6 F9_6 107.8(7) . . ?
F7_6 C4_6 F8_6 108.1(7) . . ?
F9_6 C4_6 F8_6 107.8(7) . . ?
F7_6 C4_6 C1_6 111.4(6) . . ?
F9_6 C4_6 C1_6 110.1(6) . . ?
F8_6 C4_6 C1_6 111.5(7) . . ?
C1_7 O1_7 Al1 150.0(18) . . ?
O1_7 C1_7 C2_7 111.7(13) . . ?
O1_7 C1_7 C4_7 110.2(13) . . ?
C2_7 C1_7 C4_7 109.8(9) . . ?
O1_7 C1_7 C3_7 106.9(12) . . ?
C2_7 C1_7 C3_7 109.7(9) . . ?
C4_7 C1_7 C3_7 108.6(9) . . ?
F3_7 C2_7 F1_7 106.0(13) . . ?
F3_7 C2_7 F2_7 107.5(14) . . ?
F1_7 C2_7 F2_7 107.8(12) . . ?
F3_7 C2_7 C1_7 110.8(12) . . ?
F1_7 C2_7 C1_7 111.5(10) . . ?
F2_7 C2_7 C1_7 112.9(11) . . ?
F4_7 C3_7 F5_7 107.4(13) . . ?
F4_7 C3_7 F6_7 107.7(13) . . ?
F5_7 C3_7 F6_7 108.0(12) . . ?
F4_7 C3_7 C1_7 111.2(11) . . ?
F5_7 C3_7 C1_7 111.0(10) . . ?
F6_7 C3_7 C1_7 111.3(9) . . ?
F9_7 C4_7 F7_7 108.7(14) . . ?
F9_7 C4_7 F8_7 107.8(13) . . ?
F7_7 C4_7 F8_7 107.4(13) . . ?
F9_7 C4_7 C1_7 110.8(12) . . ?
F7_7 C4_7 C1_7 110.7(10) . . ?
F8_7 C4_7 C1_7 111.3(10) . . ?
C1_8 O1_8 Al1 148(2) . . ?
O1_8 C1_8 C2_8 110.0(16) . . ?
O1_8 C1_8 C3_8 111.2(16) . . ?
C2_8 C1_8 C3_8 109.0(10) . . ?
O1_8 C1_8 C4_8 107.7(16) . . ?
C2_8 C1_8 C4_8 109.8(10) . . ?
C3_8 C1_8 C4_8 109.1(10) . . ?
F2_8 C2_8 F1_8 108.1(17) . . ?
F2_8 C2_8 F3_8 106.3(16) . . ?
F1_8 C2_8 F3_8 106.9(16) . . ?
F2_8 C2_8 C1_8 113.0(13) . . ?
F1_8 C2_8 C1_8 112.1(14) . . ?
F3_8 C2_8 C1_8 110.2(14) . . ?
F4_8 C3_8 F6_8 108.0(16) . . ?
F4_8 C3_8 F5_8 108.3(16) . . ?
F6_8 C3_8 F5_8 106.7(15) . . ?
F4_8 C3_8 C1_8 111.4(15) . . ?
F6_8 C3_8 C1_8 112.0(13) . . ?
F5_8 C3_8 C1_8 110.2(12) . . ?
F7_8 C4_8 F9_8 107.4(16) . . ?
F7_8 C4_8 F8_8 108.2(16) . . ?
F9_8 C4_8 F8_8 107.7(15) . . ?
F7_8 C4_8 C1_8 111.7(13) . . ?
F9_8 C4_8 C1_8 110.7(14) . . ?
F8_8 C4_8 C1_8 110.9(12) . . ?
C1_9 O1_9 Al1 142.2(19) . . ?
O1_9 C1_9 C2_9 108.4(13) . . ?
O1_9 C1_9 C4_9 112.8(13) . . ?
C2_9 C1_9 C4_9 109.6(9) . . ?
O1_9 C1_9 C3_9 108.6(13) . . ?
C2_9 C1_9 C3_9 109.1(9) . . ?
C4_9 C1_9 C3_9 108.3(9) . . ?
F2_9 C2_9 F1_9 108.5(13) . . ?
F2_9 C2_9 F3_9 108.0(14) . . ?
F1_9 C2_9 F3_9 107.1(14) . . ?
F2_9 C2_9 C1_9 111.9(11) . . ?
F1_9 C2_9 C1_9 110.5(11) . . ?
F3_9 C2_9 C1_9 110.7(13) . . ?
F6_9 C3_9 F4_9 109.3(15) . . ?
F6_9 C3_9 F5_9 108.6(13) . . ?
F4_9 C3_9 F5_9 107.8(15) . . ?
F6_9 C3_9 C1_9 112.4(12) . . ?
F4_9 C3_9 C1_9 109.2(13) . . ?
F5_9 C3_9 C1_9 109.5(11) . . ?
F9_9 C4_9 F7_9 107.3(14) . . ?
F9_9 C4_9 F8_9 107.6(14) . . ?
F7_9 C4_9 F8_9 108.9(13) . . ?
F9_9 C4_9 C1_9 109.9(13) . . ?
F7_9 C4_9 C1_9 111.0(11) . . ?
F8_9 C4_9 C1_9 111.9(11) . . ?
C1_10 O1_10 Al1 145(2) . . ?
O1_10 C1_10 C3_10 111.3(15) . . ?
O1_10 C1_10 C2_10 110.5(15) . . ?
C3_10 C1_10 C2_10 109.9(10) . . ?
O1_10 C1_10 C4_10 107.8(15) . . ?
C3_10 C1_10 C4_10 108.8(10) . . ?
C2_10 C1_10 C4_10 108.5(10) . . ?
F1_10 C2_10 F3_10 107.2(16) . . ?
F1_10 C2_10 F2_10 108.1(15) . . ?
F3_10 C2_10 F2_10 108.3(16) . . ?
F1_10 C2_10 C1_10 111.1(12) . . ?
F3_10 C2_10 C1_10 109.6(14) . . ?
F2_10 C2_10 C1_10 112.3(14) . . ?
F4_10 C3_10 F5_10 106.4(15) . . ?
F4_10 C3_10 F6_10 108.4(16) . . ?
F5_10 C3_10 F6_10 107.1(15) . . ?
F4_10 C3_10 C1_10 111.3(14) . . ?
F5_10 C3_10 C1_10 111.0(12) . . ?
F6_10 C3_10 C1_10 112.4(12) . . ?
F9_10 C4_10 F7_10 109.2(15) . . ?
F9_10 C4_10 F8_10 106.7(14) . . ?
F7_10 C4_10 F8_10 108.5(15) . . ?
F9_10 C4_10 C1_10 111.1(12) . . ?
F7_10 C4_10 C1_10 110.9(12) . . ?
F8_10 C4_10 C1_10 110.3(13) . . ?
C1_11 O1_11 Al3 147.8(7) . . ?
O1_11 C1_11 C3_11 107.0(7) . . ?
O1_11 C1_11 C4_11 110.3(7) . . ?
C3_11 C1_11 C4_11 109.6(7) . . ?
O1_11 C1_11 C2_11 111.7(7) . . ?
C3_11 C1_11 C2_11 109.5(7) . . ?
C4_11 C1_11 C2_11 108.7(6) . . ?
F1_11 C2_11 F3_11 107.9(8) . . ?
F1_11 C2_11 F2_11 107.6(8) . . ?
F3_11 C2_11 F2_11 107.2(7) . . ?
F1_11 C2_11 C1_11 111.3(7) . . ?
F3_11 C2_11 C1_11 110.1(7) . . ?
F2_11 C2_11 C1_11 112.6(8) . . ?
F6_11 C3_11 F4_11 109.1(8) . . ?
F6_11 C3_11 F5_11 107.0(8) . . ?
F4_11 C3_11 F5_11 108.8(8) . . ?
F6_11 C3_11 C1_11 111.9(7) . . ?
F4_11 C3_11 C1_11 110.2(7) . . ?
F5_11 C3_11 C1_11 109.7(8) . . ?
F8_11 C4_11 F7_11 106.5(9) . . ?
F8_11 C4_11 F9_11 108.1(8) . . ?
F7_11 C4_11 F9_11 107.4(8) . . ?
F8_11 C4_11 C1_11 113.1(8) . . ?
F7_11 C4_11 C1_11 111.7(7) . . ?
F9_11 C4_11 C1_11 109.8(7) . . ?
C1_12 O1_12 Al3 154(3) . . ?
O1_12 C1_12 C2_12 110.1(18) . . ?
O1_12 C1_12 C3_12 110.4(18) . . ?
C2_12 C1_12 C3_12 109.7(14) . . ?
O1_12 C1_12 C4_12 109.2(18) . . ?
C2_12 C1_12 C4_12 108.6(14) . . ?
C3_12 C1_12 C4_12 108.7(14) . . ?
F3_12 C2_12 F2_12 108.2(19) . . ?
F3_12 C2_12 F1_12 109(2) . . ?
F2_12 C2_12 F1_12 108(2) . . ?
F3_12 C2_12 C1_12 110.9(17) . . ?
F2_12 C2_12 C1_12 110.8(17) . . ?
F1_12 C2_12 C1_12 110.5(18) . . ?
F5_12 C3_12 F4_12 108(2) . . ?
F5_12 C3_12 F6_12 108(2) . . ?
F4_12 C3_12 F6_12 108(2) . . ?
F5_12 C3_12 C1_12 110.4(17) . . ?
F4_12 C3_12 C1_12 112.1(19) . . ?
F6_12 C3_12 C1_12 110.2(19) . . ?
F8_12 C4_12 F9_12 107.9(19) . . ?
F8_12 C4_12 F7_12 109.1(19) . . ?
F9_12 C4_12 F7_12 108.3(19) . . ?
F8_12 C4_12 C1_12 111.4(17) . . ?
F9_12 C4_12 C1_12 109.8(17) . . ?
F7_12 C4_12 C1_12 110.2(17) . . ?
C1_13 O1_13 Al4 143.9(5) . . ?
O1_13 C1_13 C3_13 110.5(5) . . ?
O1_13 C1_13 C2_13 108.0(6) . . ?
C3_13 C1_13 C2_13 109.7(6) . . ?
O1_13 C1_13 C4_13 110.1(6) . . ?
C3_13 C1_13 C4_13 109.8(6) . . ?
C2_13 C1_13 C4_13 108.8(5) . . ?
F1_13 C2_13 F3_13 108.1(6) . . ?
F1_13 C2_13 F2_13 108.4(6) . . ?
F3_13 C2_13 F2_13 107.6(6) . . ?
F1_13 C2_13 C1_13 111.0(6) . . ?
F3_13 C2_13 C1_13 110.4(6) . . ?
F2_13 C2_13 C1_13 111.3(6) . . ?
F4_13 C3_13 F6_13 107.7(6) . . ?
F4_13 C3_13 F5_13 107.3(6) . . ?
F6_13 C3_13 F5_13 107.5(6) . . ?
F4_13 C3_13 C1_13 110.5(6) . . ?
F6_13 C3_13 C1_13 113.1(6) . . ?
F5_13 C3_13 C1_13 110.6(6) . . ?
F9_13 C4_13 F7_13 107.6(6) . . ?
F9_13 C4_13 F8_13 107.9(6) . . ?
F7_13 C4_13 F8_13 107.2(6) . . ?
F9_13 C4_13 C1_13 111.3(6) . . ?
F7_13 C4_13 C1_13 110.4(6) . . ?
F8_13 C4_13 C1_13 112.2(6) . . ?
C1_14 O1_14 Al4 147.4(5) . . ?
O1_14 C1_14 C4_14 111.2(6) . . ?
O1_14 C1_14 C2_14 107.2(5) . . ?
C4_14 C1_14 C2_14 109.4(6) . . ?
O1_14 C1_14 C3_14 110.4(6) . . ?
C4_14 C1_14 C3_14 109.1(6) . . ?
C2_14 C1_14 C3_14 109.4(6) . . ?
F1_14 C2_14 F3_14 107.6(6) . . ?
F1_14 C2_14 F2_14 108.4(7) . . ?
F3_14 C2_14 F2_14 107.7(7) . . ?
F1_14 C2_14 C1_14 111.1(6) . . ?
F3_14 C2_14 C1_14 110.5(6) . . ?
F2_14 C2_14 C1_14 111.5(6) . . ?
F4_14 C3_14 F5_14 107.8(7) . . ?
F4_14 C3_14 F6_14 108.0(7) . . ?
F5_14 C3_14 F6_14 107.8(7) . . ?
F4_14 C3_14 C1_14 110.5(6) . . ?
F5_14 C3_14 C1_14 110.9(6) . . ?
F6_14 C3_14 C1_14 111.7(6) . . ?
F9_14 C4_14 F8_14 108.1(7) . . ?
F9_14 C4_14 F7_14 107.6(7) . . ?
F8_14 C4_14 F7_14 107.3(6) . . ?
F9_14 C4_14 C1_14 110.1(6) . . ?
F8_14 C4_14 C1_14 113.0(6) . . ?
F7_14 C4_14 C1_14 110.6(6) . . ?
C1_15 O1_15 Al4 151.1(5) . . ?
O1_15 C1_15 C3_15 108.5(6) . . ?
O1_15 C1_15 C4_15 109.8(6) . . ?
C3_15 C1_15 C4_15 110.2(6) . . ?
O1_15 C1_15 C2_15 111.3(6) . . ?
C3_15 C1_15 C2_15 108.3(6) . . ?
C4_15 C1_15 C2_15 108.7(6) . . ?
F3_15 C2_15 F1_15 106.6(7) . . ?
F3_15 C2_15 F2_15 108.6(7) . . ?
F1_15 C2_15 F2_15 107.3(7) . . ?
F3_15 C2_15 C1_15 110.2(6) . . ?
F1_15 C2_15 C1_15 111.4(6) . . ?
F2_15 C2_15 C1_15 112.3(7) . . ?
F6_15 C3_15 F5_15 107.6(7) . . ?
F6_15 C3_15 F4_15 107.6(7) . . ?
F5_15 C3_15 F4_15 106.1(7) . . ?
F6_15 C3_15 C1_15 113.1(6) . . ?
F5_15 C3_15 C1_15 111.5(6) . . ?
F4_15 C3_15 C1_15 110.6(6) . . ?
F8_15 C4_15 F9_15 109.0(7) . . ?
F8_15 C4_15 F7_15 107.0(7) . . ?
F9_15 C4_15 F7_15 107.3(7) . . ?
F8_15 C4_15 C1_15 113.0(6) . . ?
F9_15 C4_15 C1_15 110.1(6) . . ?
F7_15 C4_15 C1_15 110.2(6) . . ?
C1_17 O1_17 Al3 150.3(5) . . ?
O1_17 C1_17 C2_17 108.8(6) . . ?
O1_17 C1_17 C4_17 109.2(6) . . ?
C2_17 C1_17 C4_17 109.8(6) . . ?
O1_17 C1_17 C3_17 109.8(6) . . ?
C2_17 C1_17 C3_17 109.5(6) . . ?
C4_17 C1_17 C3_17 109.7(6) . . ?
F3_17 C2_17 F1_17 107.2(7) . . ?
F3_17 C2_17 F2_17 108.1(7) . . ?
F1_17 C2_17 F2_17 107.5(7) . . ?
F3_17 C2_17 C1_17 110.9(6) . . ?
F1_17 C2_17 C1_17 110.5(6) . . ?
F2_17 C2_17 C1_17 112.5(7) . . ?
F4_17 C3_17 F6_17 108.4(7) . . ?
F4_17 C3_17 F5_17 108.1(7) . . ?
F6_17 C3_17 F5_17 107.8(7) . . ?
F4_17 C3_17 C1_17 110.2(7) . . ?
F6_17 C3_17 C1_17 112.8(6) . . ?
F5_17 C3_17 C1_17 109.4(6) . . ?
F7_17 C4_17 F8_17 108.9(7) . . ?
F7_17 C4_17 F9_17 107.1(7) . . ?
F8_17 C4_17 F9_17 108.3(6) . . ?
F7_17 C4_17 C1_17 110.9(6) . . ?
F8_17 C4_17 C1_17 111.7(6) . . ?
F9_17 C4_17 C1_17 109.9(6) . . ?
C1_18 O1_18 Al3 148(2) . . ?
O1_18 C1_18 C2_18 110.8(13) . . ?
O1_18 C1_18 C4_18 110.2(13) . . ?
C2_18 C1_18 C4_18 110.0(10) . . ?
O1_18 C1_18 C3_18 106.6(13) . . ?
C2_18 C1_18 C3_18 109.7(10) . . ?
C4_18 C1_18 C3_18 109.6(10) . . ?
F2_18 C2_18 F3_18 107.9(13) . . ?
F2_18 C2_18 F1_18 108.6(12) . . ?
F3_18 C2_18 F1_18 107.1(12) . . ?
F2_18 C2_18 C1_18 112.1(12) . . ?
F3_18 C2_18 C1_18 109.8(12) . . ?
F1_18 C2_18 C1_18 111.1(11) . . ?
F4_18 C3_18 F5_18 106.6(12) . . ?
F4_18 C3_18 F6_18 108.4(12) . . ?
F5_18 C3_18 F6_18 107.9(13) . . ?
F4_18 C3_18 C1_18 111.3(11) . . ?
F5_18 C3_18 C1_18 110.7(11) . . ?
F6_18 C3_18 C1_18 111.8(12) . . ?
F9_18 C4_18 F7_18 107.5(12) . . ?
F9_18 C4_18 F8_18 107.1(13) . . ?
F7_18 C4_18 F8_18 108.5(14) . . ?
F9_18 C4_18 C1_18 110.1(12) . . ?
F7_18 C4_18 C1_18 111.7(12) . . ?
F8_18 C4_18 C1_18 111.7(13) . . ?
C1_19 O1_19 Al3 146(2) . . ?
O1_19 C1_19 C3_19 111.0(15) . . ?
O1_19 C1_19 C2_19 110.7(15) . . ?
C3_19 C1_19 C2_19 109.8(11) . . ?
O1_19 C1_19 C4_19 107.9(15) . . ?
C3_19 C1_19 C4_19 109.0(11) . . ?
C2_19 C1_19 C4_19 108.3(11) . . ?
F3_19 C2_19 F1_19 107.6(14) . . ?
F3_19 C2_19 F2_19 108.9(16) . . ?
F1_19 C2_19 F2_19 106.3(16) . . ?
F3_19 C2_19 C1_19 111.2(15) . . ?
F1_19 C2_19 C1_19 111.6(14) . . ?
F2_19 C2_19 C1_19 111.1(16) . . ?
F5_19 C3_19 F4_19 108.4(13) . . ?
F5_19 C3_19 F6_19 106.9(13) . . ?
F4_19 C3_19 F6_19 107.9(14) . . ?
F5_19 C3_19 C1_19 110.1(12) . . ?
F4_19 C3_19 C1_19 111.4(13) . . ?
F6_19 C3_19 C1_19 111.8(13) . . ?
F8_19 C4_19 F9_19 108.0(14) . . ?
F8_19 C4_19 F7_19 109.5(14) . . ?
F9_19 C4_19 F7_19 107.4(14) . . ?
F8_19 C4_19 C1_19 111.8(13) . . ?
F9_19 C4_19 C1_19 110.4(13) . . ?
F7_19 C4_19 C1_19 109.6(12) . . ?

