# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_IK_MS136
_database_code_depnum_ccdc_archive 'CCDC 2270712'
loop_
_audit_author_name
_audit_author_address
'Manuel Schmitt'
;Albert Ludwigs Universitaet Freiburg 
Germany
;
_audit_update_record             
;
2023-06-19 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V118 by Daniel Kratzert, Freiburg 2023,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C26 Al2 Au F55 O8'
_chemical_formula_moiety         'C24 Al2 F55 O6, C2 Au O2'
_chemical_formula_weight         1736.19
_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                   10.6511(15)
_cell_length_b                   14.425(3)
_cell_length_c                   17.025(4)
_cell_angle_alpha                99.886(8)
_cell_angle_beta                 107.015(7)
_cell_angle_gamma                107.198(6)
_cell_volume                     2292.0(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9535
_cell_measurement_theta_min      2.2825
_cell_measurement_theta_max      30.5585
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystallisation by vapour diffusion of n-pentane into asaturated solution in 1,2,3,4-tetrafluorobenzene.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.516
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    3.521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5856
_exptl_absorpt_correction_T_max  0.7461
_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           1.4
_diffrn_source_current           50.0
_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            128923
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_theta_min         1.304
_diffrn_reflns_theta_max         30.600
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14102
_reflns_number_gt                12185
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS V6.2.15 Patch 4/2021-03-15 && 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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0466P)²+2.4052P] 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         14102
_refine_ls_number_parameters     1213
_refine_ls_number_restraints     13428
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.0859
_refine_ls_wR_factor_gt          0.0813
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      0.860
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.178
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.092
_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'
Au Au -2.0133 8.8022 '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
Au Au 1.500000 1.000000 1.000000 0.03569(5) Uani 1 2 d DS U P . .
C1 C 1.4223(3) 1.0558(2) 1.0813(2) 0.0404(6) Uani 1 1 d D U . . .
O1 O 1.3815(3) 1.0874(2) 1.12752(18) 0.0559(6) Uani 1 1 d D U . . .
Au_10 Au 0.50748(10) 0.49302(8) 0.48662(5) 0.0479(2) Uani 0.5 1 d D U P A -1
C1_10 C 0.4601(10) 0.5655(6) 0.5769(6) 0.044(2) Uani 0.5 1 d D U P A -1
O1_10 O 0.4309(10) 0.6042(6) 0.6254(5) 0.058(3) Uani 0.5 1 d D U P A -1
C2_10 C 0.5517(12) 0.4177(8) 0.3965(7) 0.047(3) Uani 0.5 1 d D U P A -1
O2_10 O 0.5719(10) 0.3720(6) 0.3449(5) 0.059(2) Uani 0.5 1 d D U P A -1
Al1 Al -0.00336(5) 0.07563(4) 0.42846(3) 0.00843(9) Uani 1 1 d D . . . .
Al2 Al 1.00188(6) 0.56820(4) 0.92339(3) 0.01004(9) Uani 1 1 d D . . . .
F1 F 0.000000 0.000000 0.500000 0.0122(3) Uani 1 2 d S . P B .
F2 F 1.000000 0.500000 1.000000 0.0172(3) Uani 1 2 d S . P C .
O1_1 O 0.00921(15) 0.18652(9) 0.49153(8) 0.0138(2) Uani 1 1 d D U . . .
C1_1 C 0.00187(19) 0.27878(13) 0.49128(11) 0.0121(3) Uani 1 1 d D U . . .
C2_1 C -0.1514(2) 0.27399(16) 0.47605(15) 0.0226(4) Uani 1 1 d D U . . .
F1_1 F -0.23313(15) 0.22688(12) 0.39457(11) 0.0364(4) Uani 1 1 d D U . . .
F2_1 F -0.15941(16) 0.36552(10) 0.49375(10) 0.0293(3) Uani 1 1 d D U . . .
F3_1 F -0.20403(18) 0.22470(13) 0.52469(13) 0.0425(4) Uani 1 1 d D U . . .
C3_1 C 0.1029(3) 0.35422(15) 0.58023(13) 0.0222(4) Uani 1 1 d D U . . .
F4_1 F 0.22889(15) 0.34621(11) 0.60258(9) 0.0310(3) Uani 1 1 d D U . . .
F5_1 F 0.0524(2) 0.33624(12) 0.64055(9) 0.0366(4) Uani 1 1 d D U . . .
F6_1 F 0.12293(18) 0.45021(10) 0.57971(9) 0.0338(3) Uani 1 1 d D U . . .
C4_1 C 0.0477(2) 0.31728(14) 0.42041(12) 0.0165(3) Uani 1 1 d D U . . .
F7_1 F 0.18843(15) 0.35053(12) 0.44359(10) 0.0316(3) Uani 1 1 d D U . . .
F8_1 F 0.00683(16) 0.39196(10) 0.40255(9) 0.0254(3) Uani 1 1 d D U . . .
F9_1 F -0.00445(16) 0.24174(10) 0.34885(8) 0.0266(3) Uani 1 1 d D U . . .
O1_2 O -0.16391(14) 0.01738(10) 0.34723(8) 0.0140(2) Uani 1 1 d D U . . .
C1_2 C -0.24356(18) -0.04250(13) 0.26646(11) 0.0124(3) Uani 1 1 d D U . . .
C2_2 C -0.2044(2) 0.01106(15) 0.20037(12) 0.0178(3) Uani 1 1 d D U . . .
F1_2 F -0.25627(15) 0.08488(10) 0.19463(8) 0.0251(3) Uani 1 1 d D U . . .
F2_2 F -0.25794(14) -0.05308(10) 0.12124(7) 0.0235(3) Uani 1 1 d D U . . .
F3_2 F -0.06637(13) 0.05254(11) 0.22245(8) 0.0246(3) Uani 1 1 d D U . . .
C3_2 C -0.2230(2) -0.14572(15) 0.25216(12) 0.0188(4) Uani 1 1 d D U . . .
F4_2 F -0.21431(17) -0.17829(11) 0.32097(9) 0.0288(3) Uani 1 1 d D U . . .
F5_2 F -0.10246(14) -0.13440(11) 0.23912(9) 0.0276(3) Uani 1 1 d D U . . .
F6_2 F -0.32694(15) -0.21658(10) 0.18524(9) 0.0284(3) Uani 1 1 d D U . . .
C4_2 C -0.40053(19) -0.06096(15) 0.25368(12) 0.0174(3) Uani 1 1 d D U . . .
F7_2 F -0.44776(13) -0.12606(11) 0.29444(9) 0.0258(3) Uani 1 1 d D U . . .
F8_2 F -0.48531(13) -0.09795(10) 0.17080(8) 0.0249(3) Uani 1 1 d D U . . .
F9_2 F -0.41586(13) 0.02442(10) 0.28436(9) 0.0264(3) Uani 1 1 d D U . . .
O1_3 O 0.1333(2) 0.0822(2) 0.39475(19) 0.0160(4) Uani 0.951(2) 1 d D U P B 1
C1_3 C 0.2670(2) 0.08914(15) 0.40614(13) 0.0125(3) Uani 0.951(2) 1 d D U P B 1
C2_3 C 0.3734(2) 0.17371(16) 0.48914(13) 0.0183(4) Uani 0.951(2) 1 d D U P B 1
F1_3 F 0.39357(17) 0.26555(10) 0.47647(10) 0.0302(3) Uani 0.951(2) 1 d D U P B
1
F2_3 F 0.49911(17) 0.16626(16) 0.51625(15) 0.0284(5) Uani 0.951(2) 1 d D U P B
1
F3_3 F 0.3216(2) 0.17134(13) 0.55114(10) 0.0276(4) Uani 0.951(2) 1 d D U P B 1
C3_3 C 0.2827(2) -0.01280(17) 0.41356(16) 0.0241(4) Uani 0.951(2) 1 d D U P B 1
F4_3 F 0.1717(3) -0.08966(15) 0.35708(17) 0.0384(6) Uani 0.951(2) 1 d D U P B 1
F5_3 F 0.29080(17) -0.02185(12) 0.49179(11) 0.0331(4) Uani 0.951(2) 1 d D U P B
1
F6_3 F 0.3979(2) -0.01995(18) 0.40166(12) 0.0365(5) Uani 0.951(2) 1 d D U P B 1
C4_3 C 0.2990(2) 0.11541(19) 0.32724(14) 0.0231(4) Uani 0.951(2) 1 d D U P B 1
F7_3 F 0.23519(19) 0.03433(15) 0.25946(10) 0.0383(4) Uani 0.951(2) 1 d D U P B
1
F8_3 F 0.4377(3) 0.1485(3) 0.3423(2) 0.0361(6) Uani 0.951(2) 1 d D U P B 1
F9_3 F 0.25295(19) 0.18712(14) 0.30735(11) 0.0316(4) Uani 0.951(2) 1 d D U P B
1
O1_4 O 0.84202(15) 0.50744(11) 0.84251(9) 0.0182(3) Uani 1 1 d D U . . .
C1_4 C 0.75997(19) 0.43540(14) 0.76773(11) 0.0135(3) Uani 1 1 d D U . . .
C2_4 C 0.7872(2) 0.33535(15) 0.76840(13) 0.0194(4) Uani 1 1 d D U . . .
F1_4 F 0.73025(16) 0.28948(11) 0.81793(10) 0.0323(3) Uani 1 1 d D U . . .
F2_4 F 0.73531(16) 0.27096(10) 0.69091(9) 0.0306(3) Uani 1 1 d D U . . .
F3_4 F 0.92539(14) 0.35592(11) 0.80107(10) 0.0288(3) Uani 1 1 d D U . . .
C3_4 C 0.7919(2) 0.47202(16) 0.69296(13) 0.0203(4) Uani 1 1 d D U . . .
F4_4 F 0.80090(17) 0.56729(10) 0.70153(10) 0.0309(3) Uani 1 1 d D U . . .
F5_4 F 0.91296(15) 0.46703(11) 0.69051(9) 0.0272(3) Uani 1 1 d D U . . .
F6_4 F 0.69063(17) 0.41673(12) 0.61637(8) 0.0324(3) Uani 1 1 d D U . . .
C4_4 C 0.6028(2) 0.41651(16) 0.75571(14) 0.0206(4) Uani 1 1 d D U . . .
F7_4 F 0.56767(14) 0.49251(10) 0.73294(9) 0.0261(3) Uani 1 1 d D U . . .
F8_4 F 0.51471(14) 0.33137(11) 0.69508(11) 0.0368(4) Uani 1 1 d D U . . .
F9_4 F 0.58149(15) 0.41173(12) 0.82765(10) 0.0322(3) Uani 1 1 d D U . . .
O1_5 O 1.0299(16) 0.6886(9) 0.9796(9) 0.0119(14) Uani 0.512(3) 1 d D U P C 1
C1_5 C 0.9748(7) 0.7618(6) 0.9861(4) 0.0135(11) Uani 0.512(3) 1 d D U P C 1
C2_5 C 0.8194(5) 0.7170(4) 0.9772(4) 0.0371(12) Uani 0.512(3) 1 d D U P C 1
F1_5 F 0.7345(3) 0.6762(3) 0.8951(3) 0.0524(12) Uani 0.512(3) 1 d D U P C 1
F2_5 F 0.7756(8) 0.7859(5) 1.0110(8) 0.0441(13) Uani 0.512(3) 1 d D U P C 1
F3_5 F 0.8010(6) 0.6440(4) 1.0164(4) 0.0559(14) Uani 0.512(3) 1 d D U P C 1
C3_5 C 1.0627(5) 0.8389(3) 1.0764(3) 0.0182(8) Uani 0.512(3) 1 d D U P C 1
F4_5 F 1.1999(4) 0.8617(4) 1.0930(3) 0.0253(9) Uani 0.512(3) 1 d D U P C 1
F5_5 F 1.0328(4) 0.8011(2) 1.13684(19) 0.0373(8) Uani 0.512(3) 1 d D U P C 1
F6_5 F 1.0416(6) 0.9269(5) 1.0819(5) 0.0278(12) Uani 0.512(3) 1 d D U P C 1
C4_5 C 0.9843(5) 0.8181(3) 0.9164(3) 0.0247(8) Uani 0.512(3) 1 d D U P C 1
F7_5 F 1.1158(3) 0.8822(2) 0.9370(2) 0.0339(7) Uani 0.512(3) 1 d D U P C 1
F8_5 F 0.9024(5) 0.8727(4) 0.9063(4) 0.0381(11) Uani 0.512(3) 1 d D U P C 1
F9_5 F 0.9471(11) 0.7497(7) 0.8419(5) 0.039(2) Uani 0.512(3) 1 d D U P C 1
O1_6 O 1.1420(7) 0.5631(7) 0.8948(5) 0.0200(13) Uani 0.712(3) 1 d D U P C 1
C1_6 C 1.2687(6) 0.6156(4) 0.8933(3) 0.0173(10) Uani 0.712(3) 1 d D U P C 1
C2_6 C 1.3557(3) 0.7105(3) 0.9720(2) 0.0247(6) Uani 0.712(3) 1 d D U P C 1
F1_6 F 1.3073(2) 0.78501(14) 0.96339(17) 0.0326(5) Uani 0.712(3) 1 d D U P C 1
F2_6 F 1.4901(5) 0.7501(4) 0.9805(4) 0.0340(10) Uani 0.712(3) 1 d D U P C 1
F3_6 F 1.3456(9) 0.6882(6) 1.0426(4) 0.0449(14) Uani 0.712(3) 1 d D U P C 1
C3_6 C 1.3524(4) 0.5449(3) 0.8905(3) 0.0380(9) Uani 0.712(3) 1 d D U P C 1
F4_6 F 1.2689(6) 0.4539(3) 0.8384(3) 0.0506(12) Uani 0.712(3) 1 d D U P C 1
F5_6 F 1.4078(3) 0.5364(3) 0.9687(2) 0.0626(9) Uani 0.712(3) 1 d D U P C 1
F6_6 F 1.4598(6) 0.5776(7) 0.8662(6) 0.058(2) Uani 0.712(3) 1 d D U P C 1
C4_6 C 1.2433(4) 0.6518(3) 0.8108(2) 0.0323(8) Uani 0.712(3) 1 d D U P C 1
F7_6 F 1.2095(3) 0.5760(2) 0.74256(15) 0.0497(8) Uani 0.712(3) 1 d D U P C 1
F8_6 F 1.3638(7) 0.7259(6) 0.8184(5) 0.0597(19) Uani 0.712(3) 1 d D U P C 1
F9_6 F 1.1404(7) 0.6869(5) 0.7986(5) 0.0465(13) Uani 0.712(3) 1 d D U P C 1
O1_7 O 1.1515(17) 0.5657(16) 0.9105(13) 0.016(2) Uani 0.288(3) 1 d D U P C 2
C1_7 C 1.2703(14) 0.6151(8) 0.8978(6) 0.018(2) Uani 0.288(3) 1 d D U P C 2
C2_7 C 1.3137(9) 0.5392(6) 0.8450(5) 0.0284(16) Uani 0.288(3) 1 d D U P C 2
F1_7 F 1.2399(7) 0.5182(5) 0.7619(3) 0.0429(16) Uani 0.288(3) 1 d D U P C 2
F2_7 F 1.4471(13) 0.5856(13) 0.8520(11) 0.031(2) Uani 0.288(3) 1 d D U P C 2
F3_7 F 1.2948(14) 0.4557(8) 0.8686(6) 0.0328(18) Uani 0.288(3) 1 d D U P C 2
C3_7 C 1.3825(8) 0.6655(7) 0.9888(4) 0.0281(16) Uani 0.288(3) 1 d D U P C 2
F4_7 F 1.3325(18) 0.7056(13) 1.0426(10) 0.029(2) Uani 0.288(3) 1 d D U P C 2
F5_7 F 1.4330(7) 0.6003(6) 1.0191(4) 0.0514(18) Uani 0.288(3) 1 d D U P C 2
F6_7 F 1.4998(13) 0.7355(12) 0.9958(11) 0.045(3) Uani 0.288(3) 1 d D U P C 2
C4_7 C 1.2525(8) 0.6976(6) 0.8529(5) 0.0295(15) Uani 0.288(3) 1 d D U P C 2
F7_7 F 1.2587(6) 0.7781(4) 0.9080(4) 0.0330(13) Uani 0.288(3) 1 d D U P C 2
F8_7 F 1.3418(14) 0.7286(13) 0.8136(10) 0.030(2) Uani 0.288(3) 1 d D U P C 2
F9_7 F 1.1249(15) 0.6617(11) 0.7911(12) 0.041(3) Uani 0.288(3) 1 d D U P C 2
O1_8 O 1.0162(17) 0.6872(10) 0.9665(10) 0.016(2) Uani 0.488(3) 1 d D U P C 2
C1_8 C 0.9502(8) 0.7524(6) 0.9782(5) 0.0180(14) Uani 0.488(3) 1 d D U P C 2
C2_8 C 1.0635(5) 0.8568(3) 1.0372(4) 0.0289(10) Uani 0.488(3) 1 d D U P C 2
F1_8 F 1.1346(3) 0.9039(2) 0.9932(3) 0.0407(9) Uani 0.488(3) 1 d D U P C 2
F2_8 F 1.0035(7) 0.9148(6) 1.0691(6) 0.0330(15) Uani 0.488(3) 1 d D U P C 2
F3_8 F 1.1575(5) 0.8449(4) 1.1020(4) 0.0356(12) Uani 0.488(3) 1 d D U P C 2
C3_8 C 0.8409(5) 0.7118(4) 1.0200(3) 0.0254(10) Uani 0.488(3) 1 d D U P C 2
F4_8 F 0.7686(5) 0.6146(3) 0.9831(3) 0.0299(8) Uani 0.488(3) 1 d D U P C 2
F5_8 F 0.9087(4) 0.7254(3) 1.10322(19) 0.0389(9) Uani 0.488(3) 1 d D U P C 2
F6_8 F 0.7515(9) 0.7593(5) 1.0155(8) 0.0441(13) Uani 0.488(3) 1 d D U P C 2
C4_8 C 0.8735(5) 0.7659(3) 0.8905(3) 0.0240(9) Uani 0.488(3) 1 d D U P C 2
F7_8 F 0.7492(3) 0.6892(2) 0.8481(2) 0.0286(7) Uani 0.488(3) 1 d D U P C 2
F8_8 F 0.8471(5) 0.8509(3) 0.9012(4) 0.0352(11) Uani 0.488(3) 1 d D U P C 2
F9_8 F 0.9514(10) 0.7703(7) 0.8412(6) 0.0293(14) Uani 0.488(3) 1 d D U P C 2
O1_9 O 0.126(3) 0.071(4) 0.390(3) 0.012(5) Uani 0.049(2) 1 d D U P B 2
C1_9 C 0.259(3) 0.0781(15) 0.3989(12) 0.018(3) Uani 0.049(2) 1 d D U P B 2
C2_9 C 0.352(3) 0.1116(17) 0.4954(12) 0.023(3) Uani 0.049(2) 1 d D U P B 2
F1_9 F 0.323(3) 0.035(2) 0.5283(16) 0.026(4) Uani 0.049(2) 1 d D U P B 2
F2_9 F 0.488(3) 0.141(3) 0.505(3) 0.025(6) Uani 0.049(2) 1 d D U P B 2
F3_9 F 0.331(5) 0.187(2) 0.539(2) 0.0276(4) Uani 0.049(2) 1 d D U P B 2
C3_9 C 0.322(3) 0.1593(17) 0.3575(14) 0.024(4) Uani 0.049(2) 1 d D U P B 2
F4_9 F 0.227(3) 0.147(3) 0.2820(15) 0.0316(4) Uani 0.049(2) 1 d D U P B 2
F5_9 F 0.358(3) 0.2515(16) 0.4086(17) 0.031(5) Uani 0.049(2) 1 d D U P B 2
F6_9 F 0.437(4) 0.153(4) 0.345(4) 0.027(7) Uani 0.049(2) 1 d D U P B 2
C4_9 C 0.258(3) -0.0254(16) 0.3547(13) 0.019(3) Uani 0.049(2) 1 d D U P B 2
F7_9 F 0.212(3) -0.043(2) 0.2700(12) 0.025(4) Uani 0.049(2) 1 d D U P B 2
F8_9 F 0.386(4) -0.029(4) 0.378(2) 0.0365(5) Uani 0.049(2) 1 d D U P B 2
F9_9 F 0.174(5) -0.101(2) 0.371(3) 0.024(6) Uani 0.049(2) 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
Au C1 1.983(4) 2_877 ?
Au C1 1.983(4) . ?
C1 O1 1.099(4) . ?
Au_10 C2_10 1.977(10) . ?
Au_10 C1_10 1.981(9) . ?
C1_10 O1_10 1.088(10) . ?
C2_10 O2_10 1.118(11) . ?
Al1 O1_9 1.70(3) . ?
Al1 O1_3 1.698(2) . ?
Al1 O1_2 1.7059(14) . ?
Al1 O1_1 1.7114(14) . ?
Al1 F1 1.7689(6) . ?
Al2 O1_7 1.681(17) . ?
Al2 O1_8 1.690(11) . ?
Al2 O1_4 1.7014(15) . ?
Al2 O1_6 1.716(7) . ?
Al2 O1_5 1.726(9) . ?
Al2 F2 1.7646(6) . ?
O1_1 C1_1 1.357(2) . ?
C1_1 C2_1 1.554(3) . ?
C1_1 C4_1 1.554(3) . ?
C1_1 C3_1 1.557(3) . ?
C2_1 F3_1 1.320(3) . ?
C2_1 F1_1 1.328(3) . ?
C2_1 F2_1 1.337(2) . ?
C3_1 F5_1 1.321(3) . ?
C3_1 F4_1 1.329(3) . ?
C3_1 F6_1 1.339(2) . ?
C4_1 F8_1 1.325(2) . ?
C4_1 F9_1 1.331(2) . ?
C4_1 F7_1 1.340(2) . ?
O1_2 C1_2 1.354(2) . ?
C1_2 C4_2 1.555(3) . ?
C1_2 C2_2 1.556(3) . ?
C1_2 C3_2 1.557(3) . ?
C2_2 F3_2 1.319(2) . ?
C2_2 F1_2 1.342(2) . ?
C2_2 F2_2 1.344(2) . ?
C3_2 F4_2 1.324(2) . ?
C3_2 F6_2 1.327(2) . ?
C3_2 F5_2 1.334(2) . ?
C4_2 F9_2 1.328(2) . ?
C4_2 F7_2 1.328(2) . ?
C4_2 F8_2 1.342(2) . ?
O1_3 C1_3 1.350(2) . ?
C1_3 C3_3 1.550(3) . ?
C1_3 C2_3 1.556(3) . ?
C1_3 C4_3 1.559(3) . ?
C2_3 F2_3 1.326(3) . ?
C2_3 F3_3 1.327(3) . ?
C2_3 F1_3 1.343(2) . ?
C3_3 F4_3 1.321(3) . ?
C3_3 F6_3 1.331(3) . ?
C3_3 F5_3 1.341(3) . ?
C4_3 F9_3 1.322(3) . ?
C4_3 F7_3 1.330(3) . ?
C4_3 F8_3 1.340(3) . ?
O1_4 C1_4 1.350(2) . ?
C1_4 C3_4 1.547(3) . ?
C1_4 C2_4 1.555(3) . ?
C1_4 C4_4 1.558(3) . ?
C2_4 F2_4 1.326(2) . ?
C2_4 F1_4 1.331(2) . ?
C2_4 F3_4 1.331(2) . ?
C3_4 F5_4 1.325(2) . ?
C3_4 F4_4 1.328(2) . ?
C3_4 F6_4 1.346(2) . ?
C4_4 F9_4 1.319(3) . ?
C4_4 F8_4 1.331(2) . ?
C4_4 F7_4 1.340(2) . ?
O1_5 C1_5 1.354(8) . ?
C1_5 C2_5 1.539(7) . ?
C1_5 C4_5 1.559(7) . ?
C1_5 C3_5 1.560(7) . ?
C2_5 F2_5 1.331(8) . ?
C2_5 F1_5 1.336(7) . ?
C2_5 F3_5 1.337(8) . ?
C3_5 F5_5 1.319(5) . ?
C3_5 F4_5 1.330(5) . ?
C3_5 F6_5 1.346(7) . ?
C4_5 F7_5 1.333(5) . ?
C4_5 F8_5 1.333(6) . ?
C4_5 F9_5 1.335(8) . ?
O1_6 C1_6 1.349(5) . ?
C1_6 C3_6 1.544(6) . ?
C1_6 C2_6 1.557(5) . ?
C1_6 C4_6 1.559(6) . ?
C2_6 F3_6 1.322(7) . ?
C2_6 F2_6 1.328(5) . ?
C2_6 F1_6 1.334(4) . ?
C3_6 F6_6 1.314(6) . ?
C3_6 F4_6 1.323(6) . ?
C3_6 F5_6 1.331(6) . ?
C4_6 F9_6 1.317(7) . ?
C4_6 F7_6 1.327(4) . ?
C4_6 F8_6 1.361(7) . ?
O1_7 C1_7 1.355(12) . ?
C1_7 C3_7 1.540(11) . ?
C1_7 C4_7 1.547(11) . ?
C1_7 C2_7 1.557(11) . ?
C2_7 F3_7 1.313(10) . ?
C2_7 F1_7 1.331(9) . ?
C2_7 F2_7 1.339(11) . ?
C3_7 F6_7 1.312(11) . ?
C3_7 F4_7 1.320(10) . ?
C3_7 F5_7 1.321(9) . ?
C4_7 F8_7 1.333(11) . ?
C4_7 F7_7 1.333(9) . ?
C4_7 F9_7 1.335(11) . ?
O1_8 C1_8 1.351(9) . ?
C1_8 C4_8 1.555(8) . ?
C1_8 C3_8 1.558(8) . ?
C1_8 C2_8 1.559(8) . ?
C2_8 F2_8 1.328(8) . ?
C2_8 F3_8 1.330(7) . ?
C2_8 F1_8 1.342(7) . ?
C3_8 F4_8 1.315(6) . ?
C3_8 F6_8 1.320(8) . ?
C3_8 F5_8 1.338(6) . ?
C4_8 F8_8 1.331(6) . ?
C4_8 F9_8 1.339(8) . ?
C4_8 F7_8 1.341(5) . ?
O1_9 C1_9 1.352(14) . ?
C1_9 C4_9 1.549(13) . ?
C1_9 C2_9 1.552(13) . ?
C1_9 C3_9 1.554(13) . ?
C2_9 F1_9 1.325(13) . ?
C2_9 F3_9 1.328(13) . ?
C2_9 F2_9 1.332(14) . ?
C3_9 F4_9 1.326(13) . ?
C3_9 F6_9 1.331(14) . ?
C3_9 F5_9 1.332(13) . ?
C4_9 F9_9 1.323(13) . ?
C4_9 F8_9 1.326(14) . ?
C4_9 F7_9 1.331(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au C1 180.0 2_877 . ?
O1 C1 Au 178.7(3) . . ?
C2_10 Au_10 C1_10 178.6(5) . . ?
O1_10 C1_10 Au_10 178.4(8) . . ?
O2_10 C2_10 Au_10 177.3(9) . . ?
O1_9 Al1 O1_2 109.5(15) . . ?
O1_3 Al1 O1_2 112.84(11) . . ?
O1_9 Al1 O1_1 120.7(16) . . ?
O1_3 Al1 O1_1 115.62(11) . . ?
O1_2 Al1 O1_1 111.92(7) . . ?
O1_9 Al1 F1 105.8(16) . . ?
O1_3 Al1 F1 107.88(10) . . ?
O1_2 Al1 F1 105.98(6) . . ?
O1_1 Al1 F1 101.40(5) . . ?
O1_7 Al2 O1_8 111.7(10) . . ?
O1_7 Al2 O1_4 121.5(7) . . ?
O1_8 Al2 O1_4 108.8(5) . . ?
O1_4 Al2 O1_6 114.0(3) . . ?
O1_4 Al2 O1_5 115.1(4) . . ?
O1_6 Al2 O1_5 112.3(7) . . ?
O1_7 Al2 F2 98.9(7) . . ?
O1_8 Al2 F2 109.5(6) . . ?
O1_4 Al2 F2 105.35(6) . . ?
O1_6 Al2 F2 105.3(3) . . ?
O1_5 Al2 F2 103.4(6) . . ?
Al1 F1 Al1 180.0 2_556 . ?
Al2 F2 Al2 180.0 2_767 . ?
C1_1 O1_1 Al1 144.01(12) . . ?
O1_1 C1_1 C2_1 110.22(15) . . ?
O1_1 C1_1 C4_1 111.58(14) . . ?
C2_1 C1_1 C4_1 108.66(15) . . ?
O1_1 C1_1 C3_1 107.92(15) . . ?
C2_1 C1_1 C3_1 109.47(16) . . ?
C4_1 C1_1 C3_1 108.97(15) . . ?
F3_1 C2_1 F1_1 108.71(19) . . ?
F3_1 C2_1 F2_1 107.17(18) . . ?
F1_1 C2_1 F2_1 107.25(18) . . ?
F3_1 C2_1 C1_1 110.72(17) . . ?
F1_1 C2_1 C1_1 110.02(17) . . ?
F2_1 C2_1 C1_1 112.80(17) . . ?
F5_1 C3_1 F4_1 107.32(18) . . ?
F5_1 C3_1 F6_1 108.33(17) . . ?
F4_1 C3_1 F6_1 107.34(19) . . ?
F5_1 C3_1 C1_1 111.10(18) . . ?
F4_1 C3_1 C1_1 111.08(16) . . ?
F6_1 C3_1 C1_1 111.48(16) . . ?
F8_1 C4_1 F9_1 108.56(16) . . ?
F8_1 C4_1 F7_1 107.56(16) . . ?
F9_1 C4_1 F7_1 106.32(16) . . ?
F8_1 C4_1 C1_1 113.19(15) . . ?
F9_1 C4_1 C1_1 110.10(15) . . ?
F7_1 C4_1 C1_1 110.84(16) . . ?
C1_2 O1_2 Al1 149.79(12) . . ?
O1_2 C1_2 C4_2 107.47(14) . . ?
O1_2 C1_2 C2_2 110.29(15) . . ?
C4_2 C1_2 C2_2 109.08(15) . . ?
O1_2 C1_2 C3_2 111.07(15) . . ?
C4_2 C1_2 C3_2 109.48(15) . . ?
C2_2 C1_2 C3_2 109.41(15) . . ?
F3_2 C2_2 F1_2 107.52(16) . . ?
F3_2 C2_2 F2_2 108.26(16) . . ?
F1_2 C2_2 F2_2 106.52(16) . . ?
F3_2 C2_2 C1_2 111.36(15) . . ?
F1_2 C2_2 C1_2 110.91(15) . . ?
F2_2 C2_2 C1_2 112.03(16) . . ?
F4_2 C3_2 F6_2 108.55(17) . . ?
F4_2 C3_2 F5_2 107.42(17) . . ?
F6_2 C3_2 F5_2 107.92(16) . . ?
F4_2 C3_2 C1_2 110.36(15) . . ?
F6_2 C3_2 C1_2 112.66(16) . . ?
F5_2 C3_2 C1_2 109.77(16) . . ?
F9_2 C4_2 F7_2 107.36(16) . . ?
F9_2 C4_2 F8_2 107.19(16) . . ?
F7_2 C4_2 F8_2 107.70(16) . . ?
F9_2 C4_2 C1_2 111.07(15) . . ?
F7_2 C4_2 C1_2 111.00(16) . . ?
F8_2 C4_2 C1_2 112.29(15) . . ?
C1_3 O1_3 Al1 153.5(2) . . ?
O1_3 C1_3 C3_3 109.95(19) . . ?
O1_3 C1_3 C2_3 110.71(19) . . ?
C3_3 C1_3 C2_3 108.74(17) . . ?
O1_3 C1_3 C4_3 107.79(19) . . ?
C3_3 C1_3 C4_3 110.23(18) . . ?
C2_3 C1_3 C4_3 109.42(17) . . ?
F2_3 C2_3 F3_3 108.8(2) . . ?
F2_3 C2_3 F1_3 107.13(19) . . ?
F3_3 C2_3 F1_3 106.83(18) . . ?
F2_3 C2_3 C1_3 113.20(18) . . ?
F3_3 C2_3 C1_3 109.85(18) . . ?
F1_3 C2_3 C1_3 110.74(17) . . ?
F4_3 C3_3 F6_3 108.4(2) . . ?
F4_3 C3_3 F5_3 107.7(2) . . ?
F6_3 C3_3 F5_3 108.1(2) . . ?
F4_3 C3_3 C1_3 110.7(2) . . ?
F6_3 C3_3 C1_3 112.4(2) . . ?
F5_3 C3_3 C1_3 109.38(18) . . ?
F9_3 C4_3 F7_3 108.0(2) . . ?
F9_3 C4_3 F8_3 107.6(2) . . ?
F7_3 C4_3 F8_3 108.2(2) . . ?
F9_3 C4_3 C1_3 110.83(18) . . ?
F7_3 C4_3 C1_3 110.40(19) . . ?
F8_3 C4_3 C1_3 111.7(2) . . ?
C1_4 O1_4 Al2 149.50(13) . . ?
O1_4 C1_4 C3_4 109.73(16) . . ?
O1_4 C1_4 C2_4 110.81(15) . . ?
C3_4 C1_4 C2_4 109.13(15) . . ?
O1_4 C1_4 C4_4 108.00(15) . . ?
C3_4 C1_4 C4_4 109.57(16) . . ?
C2_4 C1_4 C4_4 109.59(15) . . ?
F2_4 C2_4 F1_4 108.19(17) . . ?
F2_4 C2_4 F3_4 108.36(17) . . ?
F1_4 C2_4 F3_4 107.18(17) . . ?
F2_4 C2_4 C1_4 112.77(16) . . ?
F1_4 C2_4 C1_4 110.59(16) . . ?
F3_4 C2_4 C1_4 109.56(16) . . ?
F5_4 C3_4 F4_4 108.06(18) . . ?
F5_4 C3_4 F6_4 107.66(16) . . ?
F4_4 C3_4 F6_4 106.87(17) . . ?
F5_4 C3_4 C1_4 110.92(16) . . ?
F4_4 C3_4 C1_4 110.75(16) . . ?
F6_4 C3_4 C1_4 112.37(17) . . ?
F9_4 C4_4 F8_4 108.41(18) . . ?
F9_4 C4_4 F7_4 107.30(17) . . ?
F8_4 C4_4 F7_4 107.41(17) . . ?
F9_4 C4_4 C1_4 111.02(17) . . ?
F8_4 C4_4 C1_4 112.11(17) . . ?
F7_4 C4_4 C1_4 110.40(16) . . ?
C1_5 O1_5 Al2 145.2(10) . . ?
O1_5 C1_5 C2_5 110.9(9) . . ?
O1_5 C1_5 C4_5 111.4(9) . . ?
C2_5 C1_5 C4_5 108.9(5) . . ?
O1_5 C1_5 C3_5 107.3(7) . . ?
C2_5 C1_5 C3_5 109.2(5) . . ?
C4_5 C1_5 C3_5 109.0(5) . . ?
F2_5 C2_5 F1_5 107.2(7) . . ?
F2_5 C2_5 F3_5 107.8(6) . . ?
F1_5 C2_5 F3_5 107.6(5) . . ?
F2_5 C2_5 C1_5 112.7(5) . . ?
F1_5 C2_5 C1_5 111.1(5) . . ?
F3_5 C2_5 C1_5 110.3(5) . . ?
F5_5 C3_5 F4_5 107.7(4) . . ?
F5_5 C3_5 F6_5 109.1(5) . . ?
F4_5 C3_5 F6_5 106.2(5) . . ?
F5_5 C3_5 C1_5 111.2(4) . . ?
F4_5 C3_5 C1_5 110.3(4) . . ?
F6_5 C3_5 C1_5 112.2(5) . . ?
F7_5 C4_5 F8_5 106.4(4) . . ?
F7_5 C4_5 F9_5 108.8(6) . . ?
F8_5 C4_5 F9_5 108.9(6) . . ?
F7_5 C4_5 C1_5 110.5(4) . . ?
F8_5 C4_5 C1_5 113.5(5) . . ?
F9_5 C4_5 C1_5 108.6(5) . . ?
C1_6 O1_6 Al2 146.6(7) . . ?
O1_6 C1_6 C3_6 108.7(6) . . ?
O1_6 C1_6 C2_6 112.6(5) . . ?
C3_6 C1_6 C2_6 109.6(4) . . ?
O1_6 C1_6 C4_6 108.2(5) . . ?
C3_6 C1_6 C4_6 109.5(4) . . ?
C2_6 C1_6 C4_6 108.1(4) . . ?
F3_6 C2_6 F2_6 110.6(5) . . ?
F3_6 C2_6 F1_6 107.7(4) . . ?
F2_6 C2_6 F1_6 104.5(4) . . ?
F3_6 C2_6 C1_6 110.1(5) . . ?
F2_6 C2_6 C1_6 112.8(4) . . ?
F1_6 C2_6 C1_6 110.9(3) . . ?
F6_6 C3_6 F4_6 107.9(6) . . ?
F6_6 C3_6 F5_6 105.5(5) . . ?
F4_6 C3_6 F5_6 108.8(4) . . ?
F6_6 C3_6 C1_6 114.2(5) . . ?
F4_6 C3_6 C1_6 110.6(4) . . ?
F5_6 C3_6 C1_6 109.6(4) . . ?
F9_6 C4_6 F7_6 108.4(4) . . ?
F9_6 C4_6 F8_6 109.2(5) . . ?
F7_6 C4_6 F8_6 108.2(5) . . ?
F9_6 C4_6 C1_6 111.0(5) . . ?
F7_6 C4_6 C1_6 110.6(3) . . ?
F8_6 C4_6 C1_6 109.3(4) . . ?
C1_7 O1_7 Al2 147.6(17) . . ?
O1_7 C1_7 C3_7 104.1(11) . . ?
O1_7 C1_7 C4_7 111.8(12) . . ?
C3_7 C1_7 C4_7 109.5(8) . . ?
O1_7 C1_7 C2_7 110.6(12) . . ?
C3_7 C1_7 C2_7 110.5(8) . . ?
C4_7 C1_7 C2_7 110.2(8) . . ?
F3_7 C2_7 F1_7 110.3(8) . . ?
F3_7 C2_7 F2_7 112.7(11) . . ?
F1_7 C2_7 F2_7 103.7(9) . . ?
F3_7 C2_7 C1_7 111.5(8) . . ?
F1_7 C2_7 C1_7 109.7(7) . . ?
F2_7 C2_7 C1_7 108.7(10) . . ?
F6_7 C3_7 F4_7 107.2(12) . . ?
F6_7 C3_7 F5_7 100.2(9) . . ?
F4_7 C3_7 F5_7 108.9(9) . . ?
F6_7 C3_7 C1_7 116.3(10) . . ?
F4_7 C3_7 C1_7 112.1(10) . . ?
F5_7 C3_7 C1_7 111.3(7) . . ?
F8_7 C4_7 F7_7 108.6(9) . . ?
F8_7 C4_7 F9_7 104.5(12) . . ?
F7_7 C4_7 F9_7 106.8(10) . . ?
F8_7 C4_7 C1_7 116.7(9) . . ?
F7_7 C4_7 C1_7 110.5(7) . . ?
F9_7 C4_7 C1_7 109.2(10) . . ?
C1_8 O1_8 Al2 147.8(12) . . ?
O1_8 C1_8 C4_8 109.5(9) . . ?
O1_8 C1_8 C3_8 110.4(10) . . ?
C4_8 C1_8 C3_8 109.6(5) . . ?
O1_8 C1_8 C2_8 108.5(8) . . ?
C4_8 C1_8 C2_8 108.7(5) . . ?
C3_8 C1_8 C2_8 110.1(6) . . ?
F2_8 C2_8 F3_8 108.5(6) . . ?
F2_8 C2_8 F1_8 109.6(6) . . ?
F3_8 C2_8 F1_8 107.1(4) . . ?
F2_8 C2_8 C1_8 110.7(5) . . ?
F3_8 C2_8 C1_8 110.7(5) . . ?
F1_8 C2_8 C1_8 110.2(5) . . ?
F4_8 C3_8 F6_8 108.6(6) . . ?
F4_8 C3_8 F5_8 108.6(5) . . ?
F6_8 C3_8 F5_8 106.7(6) . . ?
F4_8 C3_8 C1_8 110.3(5) . . ?
F6_8 C3_8 C1_8 113.0(6) . . ?
F5_8 C3_8 C1_8 109.5(5) . . ?
F8_8 C4_8 F9_8 107.7(6) . . ?
F8_8 C4_8 F7_8 107.3(4) . . ?
F9_8 C4_8 F7_8 108.4(5) . . ?
F8_8 C4_8 C1_8 110.9(5) . . ?
F9_8 C4_8 C1_8 111.5(6) . . ?
F7_8 C4_8 C1_8 110.9(4) . . ?
C1_9 O1_9 Al1 154(3) . . ?
O1_9 C1_9 C4_9 109.8(19) . . ?
O1_9 C1_9 C2_9 109.6(19) . . ?
C4_9 C1_9 C2_9 109.9(13) . . ?
O1_9 C1_9 C3_9 109.5(19) . . ?
C4_9 C1_9 C3_9 109.7(14) . . ?
C2_9 C1_9 C3_9 108.2(14) . . ?
F1_9 C2_9 F3_9 108.7(18) . . ?
F1_9 C2_9 F2_9 108.3(19) . . ?
F3_9 C2_9 F2_9 109(2) . . ?
F1_9 C2_9 C1_9 109.8(15) . . ?
F3_9 C2_9 C1_9 111.3(18) . . ?
F2_9 C2_9 C1_9 110.1(18) . . ?
F4_9 C3_9 F6_9 108(2) . . ?
F4_9 C3_9 F5_9 110.1(18) . . ?
F6_9 C3_9 F5_9 107(2) . . ?
F4_9 C3_9 C1_9 109.5(16) . . ?
F6_9 C3_9 C1_9 112(2) . . ?
F5_9 C3_9 C1_9 109.9(15) . . ?
F9_9 C4_9 F8_9 109(2) . . ?
F9_9 C4_9 F7_9 106.9(19) . . ?
F8_9 C4_9 F7_9 106.0(18) . . ?
F9_9 C4_9 C1_9 111.9(19) . . ?
F8_9 C4_9 C1_9 112.0(18) . . ?
F7_9 C4_9 C1_9 111.1(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_9 Al1 O1_1 C1_1 72.5(18) . . . . ?
O1_3 Al1 O1_1 C1_1 72.4(2) . . . . ?
O1_2 Al1 O1_1 C1_1 -58.7(2) . . . . ?
F1 Al1 O1_1 C1_1 -171.3(2) . . . . ?
Al1 O1_1 C1_1 C2_1 91.2(2) . . . . ?
Al1 O1_1 C1_1 C4_1 -29.6(3) . . . . ?
Al1 O1_1 C1_1 C3_1 -149.32(18) . . . . ?
O1_1 C1_1 C2_1 F3_1 46.0(2) . . . . ?
C4_1 C1_1 C2_1 F3_1 168.56(17) . . . . ?
C3_1 C1_1 C2_1 F3_1 -72.5(2) . . . . ?
O1_1 C1_1 C2_1 F1_1 -74.2(2) . . . . ?
C4_1 C1_1 C2_1 F1_1 48.4(2) . . . . ?
C3_1 C1_1 C2_1 F1_1 167.26(16) . . . . ?
O1_1 C1_1 C2_1 F2_1 166.11(16) . . . . ?
C4_1 C1_1 C2_1 F2_1 -71.3(2) . . . . ?
C3_1 C1_1 C2_1 F2_1 47.6(2) . . . . ?
O1_1 C1_1 C3_1 F5_1 -71.2(2) . . . . ?
C2_1 C1_1 C3_1 F5_1 48.8(2) . . . . ?
C4_1 C1_1 C3_1 F5_1 167.46(16) . . . . ?
O1_1 C1_1 C3_1 F4_1 48.2(2) . . . . ?
C2_1 C1_1 C3_1 F4_1 168.15(17) . . . . ?
C4_1 C1_1 C3_1 F4_1 -73.2(2) . . . . ?
O1_1 C1_1 C3_1 F6_1 167.85(17) . . . . ?
C2_1 C1_1 C3_1 F6_1 -72.2(2) . . . . ?
C4_1 C1_1 C3_1 F6_1 46.5(2) . . . . ?
O1_1 C1_1 C4_1 F8_1 162.83(16) . . . . ?
C2_1 C1_1 C4_1 F8_1 41.1(2) . . . . ?
C3_1 C1_1 C4_1 F8_1 -78.1(2) . . . . ?
O1_1 C1_1 C4_1 F9_1 41.1(2) . . . . ?
C2_1 C1_1 C4_1 F9_1 -80.59(19) . . . . ?
C3_1 C1_1 C4_1 F9_1 160.20(16) . . . . ?
O1_1 C1_1 C4_1 F7_1 -76.22(19) . . . . ?
C2_1 C1_1 C4_1 F7_1 162.05(16) . . . . ?
C3_1 C1_1 C4_1 F7_1 42.8(2) . . . . ?
O1_9 Al1 O1_2 C1_2 12.8(18) . . . . ?
O1_3 Al1 O1_2 C1_2 17.0(3) . . . . ?
O1_1 Al1 O1_2 C1_2 149.5(2) . . . . ?
F1 Al1 O1_2 C1_2 -100.8(2) . . . . ?
Al1 O1_2 C1_2 C4_2 173.8(2) . . . . ?
Al1 O1_2 C1_2 C2_2 -67.4(3) . . . . ?
Al1 O1_2 C1_2 C3_2 54.1(3) . . . . ?
O1_2 C1_2 C2_2 F3_2 45.2(2) . . . . ?
C4_2 C1_2 C2_2 F3_2 163.00(16) . . . . ?
C3_2 C1_2 C2_2 F3_2 -77.26(19) . . . . ?
O1_2 C1_2 C2_2 F1_2 -74.51(19) . . . . ?
C4_2 C1_2 C2_2 F1_2 43.3(2) . . . . ?
C3_2 C1_2 C2_2 F1_2 163.04(15) . . . . ?
O1_2 C1_2 C2_2 F2_2 166.61(15) . . . . ?
C4_2 C1_2 C2_2 F2_2 -75.58(19) . . . . ?
C3_2 C1_2 C2_2 F2_2 44.2(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 39.4(2) . . . . ?
C4_2 C1_2 C3_2 F4_2 -79.1(2) . . . . ?
C2_2 C1_2 C3_2 F4_2 161.42(16) . . . . ?
O1_2 C1_2 C3_2 F6_2 160.94(16) . . . . ?
C4_2 C1_2 C3_2 F6_2 42.4(2) . . . . ?
C2_2 C1_2 C3_2 F6_2 -77.1(2) . . . . ?
O1_2 C1_2 C3_2 F5_2 -78.78(19) . . . . ?
C4_2 C1_2 C3_2 F5_2 162.70(15) . . . . ?
C2_2 C1_2 C3_2 F5_2 43.2(2) . . . . ?
O1_2 C1_2 C4_2 F9_2 44.7(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -74.90(19) . . . . ?
C3_2 C1_2 C4_2 F9_2 165.41(16) . . . . ?
O1_2 C1_2 C4_2 F7_2 -74.70(19) . . . . ?
C2_2 C1_2 C4_2 F7_2 165.73(15) . . . . ?
C3_2 C1_2 C4_2 F7_2 46.0(2) . . . . ?
O1_2 C1_2 C4_2 F8_2 164.69(15) . . . . ?
C2_2 C1_2 C4_2 F8_2 45.1(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -74.6(2) . . . . ?
O1_2 Al1 O1_3 C1_3 -154.9(4) . . . . ?
O1_1 Al1 O1_3 C1_3 74.5(5) . . . . ?
F1 Al1 O1_3 C1_3 -38.1(5) . . . . ?
Al1 O1_3 C1_3 C3_3 73.3(5) . . . . ?
Al1 O1_3 C1_3 C2_3 -46.9(5) . . . . ?
Al1 O1_3 C1_3 C4_3 -166.5(4) . . . . ?
O1_3 C1_3 C2_3 F2_3 162.7(2) . . . . ?
C3_3 C1_3 C2_3 F2_3 41.8(3) . . . . ?
C4_3 C1_3 C2_3 F2_3 -78.7(2) . . . . ?
O1_3 C1_3 C2_3 F3_3 40.8(2) . . . . ?
C3_3 C1_3 C2_3 F3_3 -80.1(2) . . . . ?
C4_3 C1_3 C2_3 F3_3 159.43(18) . . . . ?
O1_3 C1_3 C2_3 F1_3 -77.0(2) . . . . ?
C3_3 C1_3 C2_3 F1_3 162.11(18) . . . . ?
C4_3 C1_3 C2_3 F1_3 41.7(2) . . . . ?
O1_3 C1_3 C3_3 F4_3 41.6(3) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.9(2) . . . . ?
C4_3 C1_3 C3_3 F4_3 -77.1(3) . . . . ?
O1_3 C1_3 C3_3 F6_3 163.0(2) . . . . ?
C2_3 C1_3 C3_3 F6_3 -75.6(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 44.3(3) . . . . ?
O1_3 C1_3 C3_3 F5_3 -76.9(2) . . . . ?
C2_3 C1_3 C3_3 F5_3 44.4(2) . . . . ?
C4_3 C1_3 C3_3 F5_3 164.37(18) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.4(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 164.41(19) . . . . ?
C2_3 C1_3 C4_3 F9_3 -76.1(2) . . . . ?
O1_3 C1_3 C4_3 F7_3 -75.2(2) . . . . ?
C3_3 C1_3 C4_3 F7_3 44.8(2) . . . . ?
C2_3 C1_3 C4_3 F7_3 164.31(18) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.4(3) . . . . ?
C3_3 C1_3 C4_3 F8_3 -75.6(3) . . . . ?
C2_3 C1_3 C4_3 F8_3 43.9(3) . . . . ?
O1_7 Al2 O1_4 C1_4 21.1(9) . . . . ?
O1_8 Al2 O1_4 C1_4 153.0(8) . . . . ?
O1_6 Al2 O1_4 C1_4 25.2(5) . . . . ?
O1_5 Al2 O1_4 C1_4 157.1(7) . . . . ?
F2 Al2 O1_4 C1_4 -89.7(3) . . . . ?
Al2 O1_4 C1_4 C3_4 -77.9(3) . . . . ?
Al2 O1_4 C1_4 C2_4 42.7(3) . . . . ?
Al2 O1_4 C1_4 C4_4 162.7(2) . . . . ?
O1_4 C1_4 C2_4 F2_4 -165.04(16) . . . . ?
C3_4 C1_4 C2_4 F2_4 -44.1(2) . . . . ?
C4_4 C1_4 C2_4 F2_4 75.9(2) . . . . ?
O1_4 C1_4 C2_4 F1_4 73.7(2) . . . . ?
C3_4 C1_4 C2_4 F1_4 -165.41(17) . . . . ?
C4_4 C1_4 C2_4 F1_4 -45.4(2) . . . . ?
O1_4 C1_4 C2_4 F3_4 -44.3(2) . . . . ?
C3_4 C1_4 C2_4 F3_4 76.7(2) . . . . ?
C4_4 C1_4 C2_4 F3_4 -163.35(16) . . . . ?
O1_4 C1_4 C3_4 F5_4 75.6(2) . . . . ?
C2_4 C1_4 C3_4 F5_4 -46.0(2) . . . . ?
C4_4 C1_4 C3_4 F5_4 -165.96(16) . . . . ?
O1_4 C1_4 C3_4 F4_4 -44.4(2) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.95(17) . . . . ?
C4_4 C1_4 C3_4 F4_4 74.1(2) . . . . ?
O1_4 C1_4 C3_4 F6_4 -163.81(16) . . . . ?
C2_4 C1_4 C3_4 F6_4 74.6(2) . . . . ?
C4_4 C1_4 C3_4 F6_4 -45.4(2) . . . . ?
O1_4 C1_4 C4_4 F9_4 -43.7(2) . . . . ?
C3_4 C1_4 C4_4 F9_4 -163.21(17) . . . . ?
C2_4 C1_4 C4_4 F9_4 77.1(2) . . . . ?
O1_4 C1_4 C4_4 F8_4 -165.15(17) . . . . ?
C3_4 C1_4 C4_4 F8_4 75.4(2) . . . . ?
C2_4 C1_4 C4_4 F8_4 -44.3(2) . . . . ?
O1_4 C1_4 C4_4 F7_4 75.1(2) . . . . ?
C3_4 C1_4 C4_4 F7_4 -44.3(2) . . . . ?
C2_4 C1_4 C4_4 F7_4 -164.05(16) . . . . ?
O1_4 Al2 O1_5 C1_5 -2(3) . . . . ?
O1_6 Al2 O1_5 C1_5 131(2) . . . . ?
F2 Al2 O1_5 C1_5 -116(2) . . . . ?
Al2 O1_5 C1_5 C2_5 45(2) . . . . ?
Al2 O1_5 C1_5 C4_5 -77(2) . . . . ?
Al2 O1_5 C1_5 C3_5 164(2) . . . . ?
O1_5 C1_5 C2_5 F2_5 158.6(10) . . . . ?
C4_5 C1_5 C2_5 F2_5 -78.5(8) . . . . ?
C3_5 C1_5 C2_5 F2_5 40.5(9) . . . . ?
O1_5 C1_5 C2_5 F1_5 -81.1(9) . . . . ?
C4_5 C1_5 C2_5 F1_5 41.8(7) . . . . ?
C3_5 C1_5 C2_5 F1_5 160.8(5) . . . . ?
O1_5 C1_5 C2_5 F3_5 38.1(10) . . . . ?
C4_5 C1_5 C2_5 F3_5 161.0(5) . . . . ?
C3_5 C1_5 C2_5 F3_5 -80.0(6) . . . . ?
O1_5 C1_5 C3_5 F5_5 -73.5(9) . . . . ?
C2_5 C1_5 C3_5 F5_5 46.9(6) . . . . ?
C4_5 C1_5 C3_5 F5_5 165.7(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 45.9(10) . . . . ?
C2_5 C1_5 C3_5 F4_5 166.3(5) . . . . ?
C4_5 C1_5 C3_5 F4_5 -74.9(6) . . . . ?
O1_5 C1_5 C3_5 F6_5 164.1(10) . . . . ?
C2_5 C1_5 C3_5 F6_5 -75.6(7) . . . . ?
C4_5 C1_5 C3_5 F6_5 43.3(7) . . . . ?
O1_5 C1_5 C4_5 F7_5 -76.0(8) . . . . ?
C2_5 C1_5 C4_5 F7_5 161.3(4) . . . . ?
C3_5 C1_5 C4_5 F7_5 42.2(6) . . . . ?
O1_5 C1_5 C4_5 F8_5 164.6(8) . . . . ?
C2_5 C1_5 C4_5 F8_5 41.9(7) . . . . ?
C3_5 C1_5 C4_5 F8_5 -77.2(6) . . . . ?
O1_5 C1_5 C4_5 F9_5 43.3(10) . . . . ?
C2_5 C1_5 C4_5 F9_5 -79.4(8) . . . . ?
C3_5 C1_5 C4_5 F9_5 161.6(6) . . . . ?
O1_4 Al2 O1_6 C1_6 128.0(11) . . . . ?
O1_5 Al2 O1_6 C1_6 -5.3(14) . . . . ?
F2 Al2 O1_6 C1_6 -117.1(12) . . . . ?
Al2 O1_6 C1_6 C3_6 154.9(11) . . . . ?
Al2 O1_6 C1_6 C2_6 33.2(14) . . . . ?
Al2 O1_6 C1_6 C4_6 -86.3(12) . . . . ?
O1_6 C1_6 C2_6 F3_6 42.6(7) . . . . ?
C3_6 C1_6 C2_6 F3_6 -78.6(5) . . . . ?
C4_6 C1_6 C2_6 F3_6 162.1(4) . . . . ?
O1_6 C1_6 C2_6 F2_6 166.7(6) . . . . ?
C3_6 C1_6 C2_6 F2_6 45.6(5) . . . . ?
C4_6 C1_6 C2_6 F2_6 -73.8(5) . . . . ?
O1_6 C1_6 C2_6 F1_6 -76.5(6) . . . . ?
C3_6 C1_6 C2_6 F1_6 162.3(3) . . . . ?
C4_6 C1_6 C2_6 F1_6 43.0(4) . . . . ?
O1_6 C1_6 C3_6 F6_6 162.8(6) . . . . ?
C2_6 C1_6 C3_6 F6_6 -73.7(7) . . . . ?
C4_6 C1_6 C3_6 F6_6 44.8(6) . . . . ?
O1_6 C1_6 C3_6 F4_6 40.8(6) . . . . ?
C2_6 C1_6 C3_6 F4_6 164.3(4) . . . . ?
C4_6 C1_6 C3_6 F4_6 -77.2(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 -79.1(5) . . . . ?
C2_6 C1_6 C3_6 F5_6 44.4(5) . . . . ?
C4_6 C1_6 C3_6 F5_6 162.9(4) . . . . ?
O1_6 C1_6 C4_6 F9_6 43.5(6) . . . . ?
C3_6 C1_6 C4_6 F9_6 161.8(4) . . . . ?
C2_6 C1_6 C4_6 F9_6 -78.8(5) . . . . ?
O1_6 C1_6 C4_6 F7_6 -76.9(6) . . . . ?
C3_6 C1_6 C4_6 F7_6 41.4(5) . . . . ?
C2_6 C1_6 C4_6 F7_6 160.8(3) . . . . ?
O1_6 C1_6 C4_6 F8_6 164.0(6) . . . . ?
C3_6 C1_6 C4_6 F8_6 -77.7(6) . . . . ?
C2_6 C1_6 C4_6 F8_6 41.7(6) . . . . ?
O1_8 Al2 O1_7 C1_7 -28(3) . . . . ?
O1_4 Al2 O1_7 C1_7 103(3) . . . . ?
F2 Al2 O1_7 C1_7 -143(3) . . . . ?
Al2 O1_7 C1_7 C3_7 93(3) . . . . ?
Al2 O1_7 C1_7 C4_7 -25(3) . . . . ?
Al2 O1_7 C1_7 C2_7 -148(3) . . . . ?
O1_7 C1_7 C2_7 F3_7 -39.7(15) . . . . ?
C3_7 C1_7 C2_7 F3_7 75.0(11) . . . . ?
C4_7 C1_7 C2_7 F3_7 -163.8(9) . . . . ?
O1_7 C1_7 C2_7 F1_7 82.7(13) . . . . ?
C3_7 C1_7 C2_7 F1_7 -162.6(8) . . . . ?
C4_7 C1_7 C2_7 F1_7 -41.4(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 -164.6(14) . . . . ?
C3_7 C1_7 C2_7 F2_7 -49.8(12) . . . . ?
C4_7 C1_7 C2_7 F2_7 71.3(12) . . . . ?
O1_7 C1_7 C3_7 F6_7 -166.0(14) . . . . ?
C4_7 C1_7 C3_7 F6_7 -46.4(13) . . . . ?
C2_7 C1_7 C3_7 F6_7 75.2(13) . . . . ?
O1_7 C1_7 C3_7 F4_7 -42.2(16) . . . . ?
C4_7 C1_7 C3_7 F4_7 77.5(13) . . . . ?
C2_7 C1_7 C3_7 F4_7 -160.9(12) . . . . ?
O1_7 C1_7 C3_7 F5_7 80.1(13) . . . . ?
C4_7 C1_7 C3_7 F5_7 -160.2(8) . . . . ?
C2_7 C1_7 C3_7 F5_7 -38.6(11) . . . . ?
O1_7 C1_7 C4_7 F8_7 -159.7(14) . . . . ?
C3_7 C1_7 C4_7 F8_7 85.4(12) . . . . ?
C2_7 C1_7 C4_7 F8_7 -36.3(14) . . . . ?
O1_7 C1_7 C4_7 F7_7 75.7(13) . . . . ?
C3_7 C1_7 C4_7 F7_7 -39.2(10) . . . . ?
C2_7 C1_7 C4_7 F7_7 -160.9(8) . . . . ?
O1_7 C1_7 C4_7 F9_7 -41.5(17) . . . . ?
C3_7 C1_7 C4_7 F9_7 -156.3(13) . . . . ?
C2_7 C1_7 C4_7 F9_7 81.9(14) . . . . ?
O1_7 Al2 O1_8 C1_8 158(2) . . . . ?
O1_4 Al2 O1_8 C1_8 21(3) . . . . ?
F2 Al2 O1_8 C1_8 -94(2) . . . . ?
Al2 O1_8 C1_8 C4_8 -65(3) . . . . ?
Al2 O1_8 C1_8 C3_8 56(3) . . . . ?
Al2 O1_8 C1_8 C2_8 177(2) . . . . ?
O1_8 C1_8 C2_8 F2_8 -163.4(11) . . . . ?
C4_8 C1_8 C2_8 F2_8 77.6(8) . . . . ?
C3_8 C1_8 C2_8 F2_8 -42.5(9) . . . . ?
O1_8 C1_8 C2_8 F3_8 -43.1(11) . . . . ?
C4_8 C1_8 C2_8 F3_8 -162.1(6) . . . . ?
C3_8 C1_8 C2_8 F3_8 77.8(7) . . . . ?
O1_8 C1_8 C2_8 F1_8 75.2(10) . . . . ?
C4_8 C1_8 C2_8 F1_8 -43.9(7) . . . . ?
C3_8 C1_8 C2_8 F1_8 -163.9(5) . . . . ?
O1_8 C1_8 C3_8 F4_8 -43.8(9) . . . . ?
C4_8 C1_8 C3_8 F4_8 76.9(7) . . . . ?
C2_8 C1_8 C3_8 F4_8 -163.6(5) . . . . ?
O1_8 C1_8 C3_8 F6_8 -165.6(9) . . . . ?
C4_8 C1_8 C3_8 F6_8 -44.9(9) . . . . ?
C2_8 C1_8 C3_8 F6_8 74.6(8) . . . . ?
O1_8 C1_8 C3_8 F5_8 75.7(9) . . . . ?
C4_8 C1_8 C3_8 F5_8 -163.7(5) . . . . ?
C2_8 C1_8 C3_8 F5_8 -44.1(7) . . . . ?
O1_8 C1_8 C4_8 F8_8 -159.9(9) . . . . ?
C3_8 C1_8 C4_8 F8_8 79.0(6) . . . . ?
C2_8 C1_8 C4_8 F8_8 -41.5(7) . . . . ?
O1_8 C1_8 C4_8 F9_8 -39.8(11) . . . . ?
C3_8 C1_8 C4_8 F9_8 -161.0(6) . . . . ?
C2_8 C1_8 C4_8 F9_8 78.6(7) . . . . ?
O1_8 C1_8 C4_8 F7_8 81.1(10) . . . . ?
C3_8 C1_8 C4_8 F7_8 -40.1(7) . . . . ?
C2_8 C1_8 C4_8 F7_8 -160.5(5) . . . . ?
O1_2 Al1 O1_9 C1_9 -164(7) . . . . ?
O1_1 Al1 O1_9 C1_9 64(8) . . . . ?
F1 Al1 O1_9 C1_9 -50(8) . . . . ?
Al1 O1_9 C1_9 C4_9 118(7) . . . . ?
Al1 O1_9 C1_9 C2_9 -3(8) . . . . ?
Al1 O1_9 C1_9 C3_9 -122(7) . . . . ?
O1_9 C1_9 C2_9 F1_9 75(3) . . . . ?
C4_9 C1_9 C2_9 F1_9 -46(2) . . . . ?
C3_9 C1_9 C2_9 F1_9 -165(2) . . . . ?
O1_9 C1_9 C2_9 F3_9 -45(3) . . . . ?
C4_9 C1_9 C2_9 F3_9 -166(2) . . . . ?
C3_9 C1_9 C2_9 F3_9 74(2) . . . . ?
O1_9 C1_9 C2_9 F2_9 -166(3) . . . . ?
C4_9 C1_9 C2_9 F2_9 74(2) . . . . ?
C3_9 C1_9 C2_9 F2_9 -46(2) . . . . ?
O1_9 C1_9 C3_9 F4_9 -45(3) . . . . ?
C4_9 C1_9 C3_9 F4_9 76(2) . . . . ?
C2_9 C1_9 C3_9 F4_9 -164(2) . . . . ?
O1_9 C1_9 C3_9 F6_9 -165(3) . . . . ?
C4_9 C1_9 C3_9 F6_9 -44(3) . . . . ?
C2_9 C1_9 C3_9 F6_9 76(3) . . . . ?
O1_9 C1_9 C3_9 F5_9 76(3) . . . . ?
C4_9 C1_9 C3_9 F5_9 -163(2) . . . . ?
C2_9 C1_9 C3_9 F5_9 -43(2) . . . . ?
O1_9 C1_9 C4_9 F9_9 -43(3) . . . . ?
C2_9 C1_9 C4_9 F9_9 78(3) . . . . ?
C3_9 C1_9 C4_9 F9_9 -163(3) . . . . ?
O1_9 C1_9 C4_9 F8_9 -165(3) . . . . ?
C2_9 C1_9 C4_9 F8_9 -45(3) . . . . ?
C3_9 C1_9 C4_9 F8_9 74(3) . . . . ?
O1_9 C1_9 C4_9 F7_9 76(3) . . . . ?
C2_9 C1_9 C4_9 F7_9 -163(2) . . . . ?
C3_9 C1_9 C4_9 F7_9 -44(2) . . . . ?

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

data_IK_MS137_a
_database_code_depnum_ccdc_archive 'CCDC 2270715'
loop_
_audit_author_name
_audit_author_address
'Manuel Schmitt'
;Albert Ludwigs Universitaet Freiburg 
Germany
;
_audit_update_record             
;
2023-06-19 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V118 by Daniel Kratzert, Freiburg 2023,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C24 Al2 Au F55 O6 P8 S6'
_chemical_formula_moiety         'C24 Al2 F55 O6, Au P8 S6'
_chemical_formula_weight         2120.29
_chemical_melting_point          ?
_symmetry_cell_setting           triclinic
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_symmetry_space_group_name_H-M   P-1
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_vrf_PLAT307_IK_MS137_a          
;PROBLEM: Isolated Metal Atom found in Structure (Unusual)        Au1 Check 
RESPONSE: The Au1 atom is coordinated by two P4S3 cages with a Au1-P1_1 distance
of 2.301(3)\~A?.
;
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.475(2)
_cell_length_b                   12.589(3)
_cell_length_c                   12.778(3)
_cell_angle_alpha                116.446(8)
_cell_angle_beta                 91.106(10)
_cell_angle_gamma                98.160(8)
_cell_volume                     1486.9(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9351
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      29.33
_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystallisation by vapour diffusion of n-pentane into asaturated solution in 1,2,3,4-tetrafluorobenzene.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.368
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.172
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    3.143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.65469
_exptl_absorpt_correction_T_max  0.746249
_exptl_absorpt_process_details   
;TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1: 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           1.4
_diffrn_source_current           50.0
_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            9917
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_theta_min         1.788
_diffrn_reflns_theta_max         31.655
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9917
_reflns_number_gt                8412
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker APEX4'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0636P)²+1.6228P] 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         9917
_refine_ls_number_parameters     527
_refine_ls_number_restraints     1922
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0441
_refine_ls_wR_factor_ref         0.1146
_refine_ls_wR_factor_gt          0.1092
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.153
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
Au1 Au 1.000000 0.000000 0.000000 0.03215(7) Uani 1 2 d S . P . .
P1_1 P 0.9018(4) 0.1679(3) 0.0694(2) 0.0241(4) Uani 0.858(4) 1 d . U P A 1
P2_1 P 0.84122(15) 0.41019(13) 0.08185(15) 0.0363(3) Uani 0.858(4) 1 d . U P A
1
P3_1 P 0.82963(16) 0.41039(12) 0.25674(11) 0.0325(3) Uani 0.858(4) 1 d . U P A
1
P4_1 P 0.6664(3) 0.3070(3) 0.1155(2) 0.0350(5) Uani 0.858(4) 1 d . U P A 1
S1_1 S 0.95557(13) 0.27962(12) -0.00627(13) 0.0355(3) Uani 0.858(4) 1 d . U P A
1
S2_1 S 0.93870(13) 0.27988(16) 0.24655(9) 0.0345(3) Uani 0.858(4) 1 d . U P A 1
S3_1 S 0.7017(3) 0.1296(3) 0.0434(3) 0.0369(5) Uani 0.858(4) 1 d . U P A 1
P1_2 P 0.678(3) 0.327(2) 0.1180(16) 0.049(3) Uani 0.142(4) 1 d D U P A 2
P2_2 P 0.899(3) 0.150(2) 0.0645(17) 0.036(3) Uani 0.142(4) 1 d D U P A 2
P3_2 P 0.9582(8) 0.3230(8) 0.2314(8) 0.0373(17) Uani 0.142(4) 1 d D U P A 2
P4_2 P 0.9798(9) 0.3224(8) 0.0590(10) 0.045(2) Uani 0.142(4) 1 d D U P A 2
S1_2 S 0.702(2) 0.1445(18) 0.0278(19) 0.038(3) Uani 0.142(4) 1 d . U P A 2
S2_2 S 0.7826(11) 0.3803(8) 0.2754(8) 0.0395(18) Uani 0.142(4) 1 d D U P A 2
S3_2 S 0.8091(13) 0.3761(11) 0.0280(13) 0.061(2) Uani 0.142(4) 1 d D U P A 2
Al1 Al 0.52404(8) 0.84931(7) 0.44219(8) 0.01794(16) Uani 1 1 d . . . . .
F1 F 0.500000 1.000000 0.500000 0.0287(6) Uani 1 2 d S . P . .
O1_3 O 0.5850(2) 0.8341(2) 0.5588(2) 0.0272(5) Uani 1 1 d D U . . .
C1_3 C 0.6863(3) 0.8090(3) 0.6061(3) 0.0224(5) Uani 1 1 d D U . . .
C2_3 C 0.6379(3) 0.7804(3) 0.7066(3) 0.0281(6) Uani 1 1 d D U . . .
F1_3 F 0.5649(2) 0.8586(2) 0.7722(2) 0.0400(5) Uani 1 1 d D U . . .
F2_3 F 0.7360(2) 0.7850(2) 0.77818(19) 0.0361(5) Uani 1 1 d D U . . .
F3_3 F 0.5679(2) 0.6707(2) 0.6638(2) 0.0384(5) Uani 1 1 d D U . . .
C3_3 C 0.7370(3) 0.6972(3) 0.5123(3) 0.0261(6) Uani 1 1 d D U . . .
F4_3 F 0.8125(2) 0.7278(2) 0.44377(19) 0.0340(4) Uani 1 1 d D U . . .
F5_3 F 0.6390(2) 0.61448(19) 0.4434(2) 0.0368(5) Uani 1 1 d D U . . .
F6_3 F 0.8059(2) 0.64685(19) 0.56065(19) 0.0335(4) Uani 1 1 d D U . . .
C4_3 C 0.7977(3) 0.9187(3) 0.6566(3) 0.0306(7) Uani 1 1 d D U . . .
F7_3 F 0.8162(2) 0.9640(2) 0.5818(2) 0.0397(5) Uani 1 1 d D U . . .
F8_3 F 0.9091(2) 0.8890(2) 0.6788(2) 0.0399(5) Uani 1 1 d D U . . .
F9_3 F 0.7690(3) 1.00487(19) 0.7567(2) 0.0415(5) Uani 1 1 d D U . . .
O1_4 O 0.3716(3) 0.7745(3) 0.3890(3) 0.0417(7) Uani 1 1 d D U . . .
C1_4 C 0.2738(3) 0.6824(3) 0.3652(3) 0.0284(6) Uani 1 1 d D U . . .
C2_4 C 0.2600(4) 0.6565(4) 0.4730(4) 0.0404(8) Uani 1 1 d D U . . .
F1_4 F 0.3490(2) 0.5932(2) 0.4788(3) 0.0477(6) Uani 1 1 d D U . . .
F2_4 F 0.1431(3) 0.5947(2) 0.4680(2) 0.0479(6) Uani 1 1 d D U . . .
F3_4 F 0.2741(3) 0.7592(2) 0.5712(2) 0.0556(7) Uani 1 1 d D U . . .
C3_4 C 0.1487(4) 0.7209(3) 0.3374(4) 0.0384(8) Uani 1 1 d D U . . .
F4_4 F 0.1704(3) 0.7709(2) 0.2655(2) 0.0464(6) Uani 1 1 d D U . . .
F5_4 F 0.1071(3) 0.7998(2) 0.4353(3) 0.0546(7) Uani 1 1 d D U . . .
F6_4 F 0.0531(2) 0.6273(2) 0.2845(3) 0.0560(7) Uani 1 1 d D U . . .
C4_4 C 0.2980(4) 0.5660(4) 0.2579(4) 0.0426(9) Uani 1 1 d D U . . .
F7_4 F 0.2767(3) 0.5736(3) 0.1585(2) 0.0558(7) Uani 1 1 d D U . . .
F8_4 F 0.2223(3) 0.4685(2) 0.2519(3) 0.0570(7) Uani 1 1 d D U . . .
F9_4 F 0.4211(3) 0.5527(3) 0.2674(3) 0.0627(8) Uani 1 1 d D U . . .
O1_5 O 0.6315(2) 0.8297(3) 0.3400(2) 0.0320(5) Uani 1 1 d D U . . .
C1_5 C 0.6662(3) 0.8258(3) 0.2376(3) 0.0266(6) Uani 1 1 d D U . . .
C2_5 C 0.5880(4) 0.9003(3) 0.1994(3) 0.0343(7) Uani 1 1 d D U . . .
F1_5 F 0.6297(3) 1.0172(2) 0.2637(2) 0.0521(7) Uani 1 1 d D U . . .
F2_5 F 0.5952(2) 0.8754(2) 0.0872(2) 0.0406(5) Uani 1 1 d D U . . .
F3_5 F 0.4644(2) 0.8809(3) 0.2169(2) 0.0475(6) Uani 1 1 d D U . . .
C3_5 C 0.6434(4) 0.6932(3) 0.1413(4) 0.0412(8) Uani 1 1 d D U . . .
F4_5 F 0.6765(3) 0.6221(2) 0.1842(3) 0.0614(8) Uani 1 1 d D U . . .
F5_5 F 0.5182(3) 0.6569(2) 0.1020(3) 0.0555(7) Uani 1 1 d D U . . .
F6_5 F 0.7111(3) 0.6787(3) 0.0500(2) 0.0570(7) Uani 1 1 d D U . . .
C4_5 C 0.8129(4) 0.8803(4) 0.2559(3) 0.0401(8) Uani 1 1 d D U . . .
F7_5 F 0.8843(2) 0.8018(3) 0.2582(3) 0.0579(8) Uani 1 1 d D U . . .
F8_5 F 0.8491(2) 0.9065(3) 0.1694(2) 0.0486(6) Uani 1 1 d D U . . .
F9_5 F 0.8402(3) 0.9782(3) 0.3561(2) 0.0576(7) 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
Au1 P2_2 2.14(2) 2_755 ?
Au1 P2_2 2.14(2) . ?
Au1 P1_1 2.301(3) 2_755 ?
Au1 P1_1 2.301(3) . ?
P1_1 S2_1 2.057(3) . ?
P1_1 S1_1 2.059(3) . ?
P1_1 S3_1 2.069(6) . ?
P2_1 S1_1 2.0897(18) . ?
P2_1 P3_1 2.239(2) . ?
P2_1 P4_1 2.254(3) . ?
P3_1 S2_1 2.0903(19) . ?
P3_1 P4_1 2.243(3) . ?
P4_1 S3_1 2.094(4) . ?
P1_2 S3_2 2.01(2) . ?
P1_2 S2_2 2.05(2) . ?
P1_2 S1_2 2.12(3) . ?
P2_2 S1_2 2.09(4) . ?
P2_2 P4_2 2.25(2) . ?
P2_2 P3_2 2.26(2) . ?
P3_2 S2_2 2.068(12) . ?
P3_2 P4_2 2.216(18) . ?
P4_2 S3_2 2.089(14) . ?
Al1 O1_4 1.691(3) . ?
Al1 O1_5 1.697(3) . ?
Al1 O1_3 1.709(2) . ?
Al1 F1 1.7613(9) . ?
O1_3 C1_3 1.353(4) . ?
C1_3 C4_3 1.550(4) . ?
C1_3 C2_3 1.556(4) . ?
C1_3 C3_3 1.560(4) . ?
C2_3 F1_3 1.327(4) . ?
C2_3 F3_3 1.330(4) . ?
C2_3 F2_3 1.339(4) . ?
C3_3 F5_3 1.326(4) . ?
C3_3 F6_3 1.328(3) . ?
C3_3 F4_3 1.335(4) . ?
C4_3 F7_3 1.319(4) . ?
C4_3 F9_3 1.333(4) . ?
C4_3 F8_3 1.337(4) . ?
O1_4 C1_4 1.349(4) . ?
C1_4 C3_4 1.548(5) . ?
C1_4 C4_4 1.555(5) . ?
C1_4 C2_4 1.556(5) . ?
C2_4 F3_4 1.328(5) . ?
C2_4 F1_4 1.331(5) . ?
C2_4 F2_4 1.338(4) . ?
C3_4 F4_4 1.332(5) . ?
C3_4 F6_4 1.333(4) . ?
C3_4 F5_4 1.333(5) . ?
C4_4 F7_4 1.332(5) . ?
C4_4 F9_4 1.334(5) . ?
C4_4 F8_4 1.334(5) . ?
O1_5 C1_5 1.347(4) . ?
C1_5 C3_5 1.549(5) . ?
C1_5 C2_5 1.550(5) . ?
C1_5 C4_5 1.560(5) . ?
C2_5 F3_5 1.325(4) . ?
C2_5 F1_5 1.325(4) . ?
C2_5 F2_5 1.330(4) . ?
C3_5 F4_5 1.318(5) . ?
C3_5 F6_5 1.333(5) . ?
C3_5 F5_5 1.335(5) . ?
C4_5 F9_5 1.312(5) . ?
C4_5 F7_5 1.330(5) . ?
C4_5 F8_5 1.334(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2_2 Au1 P2_2 180.0 2_755 . ?
P1_1 Au1 P1_1 180.0 2_755 . ?
S2_1 P1_1 S1_1 103.74(16) . . ?
S2_1 P1_1 S3_1 103.70(16) . . ?
S1_1 P1_1 S3_1 105.18(17) . . ?
S2_1 P1_1 Au1 115.39(15) . . ?
S1_1 P1_1 Au1 113.62(12) . . ?
S3_1 P1_1 Au1 113.99(17) . . ?
S1_1 P2_1 P3_1 103.74(8) . . ?
S1_1 P2_1 P4_1 103.94(11) . . ?
P3_1 P2_1 P4_1 59.90(9) . . ?
S2_1 P3_1 P2_1 103.88(8) . . ?
S2_1 P3_1 P4_1 103.91(12) . . ?
P2_1 P3_1 P4_1 60.38(8) . . ?
S3_1 P4_1 P3_1 103.77(17) . . ?
S3_1 P4_1 P2_1 104.40(16) . . ?
P3_1 P4_1 P2_1 59.72(11) . . ?
P1_1 S1_1 P2_1 98.34(10) . . ?
P1_1 S2_1 P3_1 98.27(11) . . ?
P1_1 S3_1 P4_1 97.91(16) . . ?
S3_2 P1_2 S2_2 101.9(14) . . ?
S3_2 P1_2 S1_2 91.8(12) . . ?
S2_2 P1_2 S1_2 100.9(13) . . ?
S1_2 P2_2 Au1 126.3(14) . . ?
S1_2 P2_2 P4_2 99.4(11) . . ?
Au1 P2_2 P4_2 121.2(13) . . ?
S1_2 P2_2 P3_2 104.4(12) . . ?
Au1 P2_2 P3_2 125.6(13) . . ?
P4_2 P2_2 P3_2 58.9(8) . . ?
S2_2 P3_2 P4_2 103.3(6) . . ?
S2_2 P3_2 P2_2 102.0(9) . . ?
P4_2 P3_2 P2_2 60.3(6) . . ?
S3_2 P4_2 P3_2 102.8(6) . . ?
S3_2 P4_2 P2_2 100.5(9) . . ?
P3_2 P4_2 P2_2 60.8(6) . . ?
P2_2 S1_2 P1_2 103.9(14) . . ?
P1_2 S2_2 P3_2 105.1(9) . . ?
P1_2 S3_2 P4_2 105.7(10) . . ?
O1_4 Al1 O1_5 115.42(15) . . ?
O1_4 Al1 O1_3 114.27(13) . . ?
O1_5 Al1 O1_3 112.10(12) . . ?
O1_4 Al1 F1 101.36(12) . . ?
O1_5 Al1 F1 106.84(10) . . ?
O1_3 Al1 F1 105.43(9) . . ?
Al1 F1 Al1 180.0 . 2_676 ?
C1_3 O1_3 Al1 146.1(2) . . ?
O1_3 C1_3 C4_3 110.3(3) . . ?
O1_3 C1_3 C2_3 107.7(2) . . ?
C4_3 C1_3 C2_3 109.6(3) . . ?
O1_3 C1_3 C3_3 110.8(2) . . ?
C4_3 C1_3 C3_3 109.5(3) . . ?
C2_3 C1_3 C3_3 108.9(2) . . ?
F1_3 C2_3 F3_3 108.0(3) . . ?
F1_3 C2_3 F2_3 107.2(3) . . ?
F3_3 C2_3 F2_3 107.2(3) . . ?
F1_3 C2_3 C1_3 111.0(3) . . ?
F3_3 C2_3 C1_3 111.0(3) . . ?
F2_3 C2_3 C1_3 112.2(3) . . ?
F5_3 C3_3 F6_3 108.2(3) . . ?
F5_3 C3_3 F4_3 107.3(3) . . ?
F6_3 C3_3 F4_3 107.5(3) . . ?
F5_3 C3_3 C1_3 110.5(3) . . ?
F6_3 C3_3 C1_3 112.3(3) . . ?
F4_3 C3_3 C1_3 110.8(3) . . ?
F7_3 C4_3 F9_3 107.9(3) . . ?
F7_3 C4_3 F8_3 108.3(3) . . ?
F9_3 C4_3 F8_3 107.6(3) . . ?
F7_3 C4_3 C1_3 110.3(3) . . ?
F9_3 C4_3 C1_3 110.6(3) . . ?
F8_3 C4_3 C1_3 111.9(3) . . ?
C1_4 O1_4 Al1 153.0(3) . . ?
O1_4 C1_4 C3_4 107.0(3) . . ?
O1_4 C1_4 C4_4 111.0(3) . . ?
C3_4 C1_4 C4_4 109.8(3) . . ?
O1_4 C1_4 C2_4 110.3(3) . . ?
C3_4 C1_4 C2_4 110.0(3) . . ?
C4_4 C1_4 C2_4 108.7(3) . . ?
F3_4 C2_4 F1_4 108.9(3) . . ?
F3_4 C2_4 F2_4 107.2(3) . . ?
F1_4 C2_4 F2_4 108.2(3) . . ?
F3_4 C2_4 C1_4 110.0(3) . . ?
F1_4 C2_4 C1_4 110.7(3) . . ?
F2_4 C2_4 C1_4 111.8(3) . . ?
F4_4 C3_4 F6_4 107.3(3) . . ?
F4_4 C3_4 F5_4 108.9(3) . . ?
F6_4 C3_4 F5_4 107.6(3) . . ?
F4_4 C3_4 C1_4 110.2(3) . . ?
F6_4 C3_4 C1_4 111.8(3) . . ?
F5_4 C3_4 C1_4 110.9(3) . . ?
F7_4 C4_4 F9_4 108.0(4) . . ?
F7_4 C4_4 F8_4 109.1(4) . . ?
F9_4 C4_4 F8_4 108.2(4) . . ?
F7_4 C4_4 C1_4 110.4(3) . . ?
F9_4 C4_4 C1_4 109.5(3) . . ?
F8_4 C4_4 C1_4 111.5(3) . . ?
C1_5 O1_5 Al1 151.9(2) . . ?
O1_5 C1_5 C3_5 109.4(3) . . ?
O1_5 C1_5 C2_5 111.3(3) . . ?
C3_5 C1_5 C2_5 109.6(3) . . ?
O1_5 C1_5 C4_5 107.6(3) . . ?
C3_5 C1_5 C4_5 110.0(3) . . ?
C2_5 C1_5 C4_5 109.0(3) . . ?
F3_5 C2_5 F1_5 106.4(3) . . ?
F3_5 C2_5 F2_5 108.5(3) . . ?
F1_5 C2_5 F2_5 107.8(3) . . ?
F3_5 C2_5 C1_5 110.2(3) . . ?
F1_5 C2_5 C1_5 110.8(3) . . ?
F2_5 C2_5 C1_5 113.0(3) . . ?
F4_5 C3_5 F6_5 108.3(3) . . ?
F4_5 C3_5 F5_5 107.7(4) . . ?
F6_5 C3_5 F5_5 108.0(3) . . ?
F4_5 C3_5 C1_5 110.5(3) . . ?
F6_5 C3_5 C1_5 112.1(3) . . ?
F5_5 C3_5 C1_5 110.1(3) . . ?
F9_5 C4_5 F7_5 107.6(3) . . ?
F9_5 C4_5 F8_5 108.8(4) . . ?
F7_5 C4_5 F8_5 107.4(3) . . ?
F9_5 C4_5 C1_5 110.9(3) . . ?
F7_5 C4_5 C1_5 110.0(3) . . ?
F8_5 C4_5 C1_5 111.9(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_4 Al1 O1_3 C1_3 131.2(4) . . . . ?
O1_5 Al1 O1_3 C1_3 -2.5(4) . . . . ?
F1 Al1 O1_3 C1_3 -118.4(4) . . . . ?
Al1 O1_3 C1_3 C4_3 76.7(5) . . . . ?
Al1 O1_3 C1_3 C2_3 -163.7(3) . . . . ?
Al1 O1_3 C1_3 C3_3 -44.7(5) . . . . ?
O1_3 C1_3 C2_3 F1_3 -43.9(4) . . . . ?
C4_3 C1_3 C2_3 F1_3 76.1(3) . . . . ?
C3_3 C1_3 C2_3 F1_3 -164.1(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 76.2(3) . . . . ?
C4_3 C1_3 C2_3 F3_3 -163.7(3) . . . . ?
C3_3 C1_3 C2_3 F3_3 -44.0(3) . . . . ?
O1_3 C1_3 C2_3 F2_3 -163.8(3) . . . . ?
C4_3 C1_3 C2_3 F2_3 -43.8(3) . . . . ?
C3_3 C1_3 C2_3 F2_3 76.0(3) . . . . ?
O1_3 C1_3 C3_3 F5_3 -39.1(4) . . . . ?
C4_3 C1_3 C3_3 F5_3 -160.9(3) . . . . ?
C2_3 C1_3 C3_3 F5_3 79.2(3) . . . . ?
O1_3 C1_3 C3_3 F6_3 -160.0(3) . . . . ?
C4_3 C1_3 C3_3 F6_3 78.2(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -41.7(4) . . . . ?
O1_3 C1_3 C3_3 F4_3 79.8(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -42.1(3) . . . . ?
C2_3 C1_3 C3_3 F4_3 -161.9(3) . . . . ?
O1_3 C1_3 C4_3 F7_3 -44.8(4) . . . . ?
C2_3 C1_3 C4_3 F7_3 -163.2(3) . . . . ?
C3_3 C1_3 C4_3 F7_3 77.4(3) . . . . ?
O1_3 C1_3 C4_3 F9_3 74.6(3) . . . . ?
C2_3 C1_3 C4_3 F9_3 -43.8(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 -163.3(3) . . . . ?
O1_3 C1_3 C4_3 F8_3 -165.4(3) . . . . ?
C2_3 C1_3 C4_3 F8_3 76.2(3) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.3(4) . . . . ?
O1_5 Al1 O1_4 C1_4 100.4(6) . . . . ?
O1_3 Al1 O1_4 C1_4 -31.8(7) . . . . ?
F1 Al1 O1_4 C1_4 -144.6(6) . . . . ?
Al1 O1_4 C1_4 C3_4 165.3(5) . . . . ?
Al1 O1_4 C1_4 C4_4 -74.9(7) . . . . ?
Al1 O1_4 C1_4 C2_4 45.7(8) . . . . ?
O1_4 C1_4 C2_4 F3_4 41.4(4) . . . . ?
C3_4 C1_4 C2_4 F3_4 -76.5(4) . . . . ?
C4_4 C1_4 C2_4 F3_4 163.3(3) . . . . ?
O1_4 C1_4 C2_4 F1_4 -79.1(4) . . . . ?
C3_4 C1_4 C2_4 F1_4 163.1(3) . . . . ?
C4_4 C1_4 C2_4 F1_4 42.9(4) . . . . ?
O1_4 C1_4 C2_4 F2_4 160.3(3) . . . . ?
C3_4 C1_4 C2_4 F2_4 42.4(4) . . . . ?
C4_4 C1_4 C2_4 F2_4 -77.8(4) . . . . ?
O1_4 C1_4 C3_4 F4_4 45.0(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -75.6(4) . . . . ?
C2_4 C1_4 C3_4 F4_4 164.9(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 164.3(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 43.7(4) . . . . ?
C2_4 C1_4 C3_4 F6_4 -75.9(4) . . . . ?
O1_4 C1_4 C3_4 F5_4 -75.6(4) . . . . ?
C4_4 C1_4 C3_4 F5_4 163.8(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 44.2(4) . . . . ?
O1_4 C1_4 C4_4 F7_4 -74.8(4) . . . . ?
C3_4 C1_4 C4_4 F7_4 43.3(4) . . . . ?
C2_4 C1_4 C4_4 F7_4 163.7(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 43.9(4) . . . . ?
C3_4 C1_4 C4_4 F9_4 162.1(3) . . . . ?
C2_4 C1_4 C4_4 F9_4 -77.6(4) . . . . ?
O1_4 C1_4 C4_4 F8_4 163.7(3) . . . . ?
C3_4 C1_4 C4_4 F8_4 -78.2(4) . . . . ?
C2_4 C1_4 C4_4 F8_4 42.2(4) . . . . ?
O1_4 Al1 O1_5 C1_5 47.5(6) . . . . ?
O1_3 Al1 O1_5 C1_5 -179.3(5) . . . . ?
F1 Al1 O1_5 C1_5 -64.3(5) . . . . ?
Al1 O1_5 C1_5 C3_5 -97.5(5) . . . . ?
Al1 O1_5 C1_5 C2_5 23.8(7) . . . . ?
Al1 O1_5 C1_5 C4_5 143.1(5) . . . . ?
O1_5 C1_5 C2_5 F3_5 -42.8(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 78.4(4) . . . . ?
C4_5 C1_5 C2_5 F3_5 -161.3(3) . . . . ?
O1_5 C1_5 C2_5 F1_5 74.6(4) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.2(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 -43.9(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 -164.4(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 -43.2(4) . . . . ?
C4_5 C1_5 C2_5 F2_5 77.1(4) . . . . ?
O1_5 C1_5 C3_5 F4_5 -39.6(4) . . . . ?
C2_5 C1_5 C3_5 F4_5 -161.9(3) . . . . ?
C4_5 C1_5 C3_5 F4_5 78.4(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 -160.5(3) . . . . ?
C2_5 C1_5 C3_5 F6_5 77.2(4) . . . . ?
C4_5 C1_5 C3_5 F6_5 -42.5(4) . . . . ?
O1_5 C1_5 C3_5 F5_5 79.3(4) . . . . ?
C2_5 C1_5 C3_5 F5_5 -43.0(4) . . . . ?
C4_5 C1_5 C3_5 F5_5 -162.7(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 -43.5(4) . . . . ?
C3_5 C1_5 C4_5 F9_5 -162.6(3) . . . . ?
C2_5 C1_5 C4_5 F9_5 77.3(4) . . . . ?
O1_5 C1_5 C4_5 F7_5 75.4(4) . . . . ?
C3_5 C1_5 C4_5 F7_5 -43.6(4) . . . . ?
C2_5 C1_5 C4_5 F7_5 -163.7(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 -165.2(3) . . . . ?
C3_5 C1_5 C4_5 F8_5 75.7(4) . . . . ?
C2_5 C1_5 C4_5 F8_5 -44.4(4) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2.00 1.00 0.00 0.0470
0.00 2.00 -1.00 0.0180
0.00 -2.00 1.00 0.0150
0.00 -1.00 1.00 0.0080
0.00 1.00 2.00 0.0200
0.00 0.00 -1.00 0.0130
2.00 -1.00 0.00 0.0760

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

data_IK_MSSN13
_database_code_depnum_ccdc_archive 'CCDC 2270713'
loop_
_audit_author_name
_audit_author_address
'Manuel Schmitt'
;Albert Ludwigs Universitaet Freiburg 
Germany
;
_audit_update_record             
;
2023-06-19 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V118 by Daniel Kratzert, Freiburg 2023,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C24 Al2 Au F55 O6 P8'
_chemical_formula_moiety         'C24 Al2 F55 O6, Au P8'
_chemical_formula_weight         1927.93
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   19.631(4)
_cell_length_b                   12.986(2)
_cell_length_c                   20.436(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.606(11)
_cell_angle_gamma                90
_cell_volume                     5210(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9516
_cell_measurement_theta_min      2.7325
_cell_measurement_theta_max      30.4675
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystallisation by vapour diffusion of n-pentane into asaturated solution in 1,2,3,4-tetrafluorobenzene.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.458
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    3.343
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6593
_exptl_absorpt_correction_T_max  0.7461
_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           1.4
_diffrn_source_current           50.0
_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            297593
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_theta_min         1.880
_diffrn_reflns_theta_max         30.592
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8007
_reflns_number_gt                7449
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.14 Patch 4/2020-11-09'
_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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0230P)²+3.5646P] 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         8007
_refine_ls_number_parameters     435
_refine_ls_number_restraints     1731
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0185
_refine_ls_wR_factor_ref         0.0448
_refine_ls_wR_factor_gt          0.0441
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.518
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
Au1 Au 0.500000 0.30922(2) 0.250000 0.01676(3) Uani 1 2 d S T P . .
P1 P 0.59339(2) 0.21823(4) 0.30541(2) 0.02379(9) Uani 1 1 d . . . . .
F1 F 0.750000 0.750000 0.500000 0.0157(2) Uani 1 2 d S . P . .
P2 P 0.56851(2) 0.39270(3) 0.33550(2) 0.01992(8) Uani 1 1 d . . . . .
Al02 Al 0.78093(2) 0.63827(3) 0.53969(2) 0.01034(8) Uani 1 1 d . . . . .
P3 P 0.59583(3) 0.27337(4) 0.40561(2) 0.02564(10) Uani 1 1 d . . . . .
P4 P 0.67083(2) 0.32956(4) 0.33410(3) 0.02752(10) Uani 1 1 d . . . . .
O1_1 O 0.70653(6) 0.57348(9) 0.55211(6) 0.0188(2) Uani 1 1 d D U . . .
C1_1 C 0.67083(7) 0.50137(11) 0.58476(7) 0.0145(3) Uani 1 1 d D U . . .
C2_1 C 0.60060(8) 0.48988(13) 0.54944(8) 0.0200(3) Uani 1 1 d D U . . .
F1_1 F 0.56082(5) 0.57061(9) 0.56195(6) 0.0311(2) Uani 1 1 d D U . . .
F2_1 F 0.56791(6) 0.40509(9) 0.56766(6) 0.0334(3) Uani 1 1 d D U . . .
F3_1 F 0.60869(5) 0.48591(8) 0.48506(5) 0.0246(2) Uani 1 1 d D U . . .
C3_1 C 0.70841(9) 0.39605(13) 0.58445(8) 0.0207(3) Uani 1 1 d D U . . .
F4_1 F 0.77494(5) 0.41049(9) 0.59515(6) 0.0313(2) Uani 1 1 d D U . . .
F5_1 F 0.70177(6) 0.34948(8) 0.52668(5) 0.0287(2) Uani 1 1 d D U . . .
F6_1 F 0.68567(6) 0.33187(8) 0.62989(6) 0.0298(2) Uani 1 1 d D U . . .
C4_1 C 0.65967(9) 0.53521(13) 0.65684(8) 0.0207(3) Uani 1 1 d D U . . .
F7_1 F 0.71570(6) 0.51995(9) 0.69289(5) 0.0293(2) Uani 1 1 d D U . . .
F8_1 F 0.60871(6) 0.48362(9) 0.68495(5) 0.0295(2) Uani 1 1 d D U . . .
F9_1 F 0.64462(6) 0.63480(8) 0.66001(5) 0.0316(3) Uani 1 1 d D U . . .
O1_2 O 0.83773(6) 0.58499(9) 0.48738(5) 0.0181(2) Uani 1 1 d D U . . .
C1_2 C 0.85316(7) 0.55005(11) 0.42692(7) 0.0134(3) Uani 1 1 d D U . . .
C2_2 C 0.79515(8) 0.57521(12) 0.37705(7) 0.0173(3) Uani 1 1 d D U . . .
F1_2 F 0.79730(6) 0.67366(8) 0.35952(5) 0.0260(2) Uani 1 1 d D U . . .
F2_2 F 0.79777(5) 0.51816(9) 0.32319(5) 0.0259(2) Uani 1 1 d D U . . .
F3_2 F 0.73474(5) 0.55920(8) 0.40480(5) 0.0233(2) Uani 1 1 d D U . . .
C3_2 C 0.86396(8) 0.43164(12) 0.43016(8) 0.0186(3) Uani 1 1 d D U . . .
F4_2 F 0.90056(5) 0.40614(8) 0.48273(5) 0.0258(2) Uani 1 1 d D U . . .
F5_2 F 0.80374(5) 0.38409(8) 0.43500(6) 0.0284(2) Uani 1 1 d D U . . .
F6_2 F 0.89517(6) 0.39491(8) 0.37788(5) 0.0274(2) Uani 1 1 d D U . . .
C4_2 C 0.92028(8) 0.60269(13) 0.40497(8) 0.0192(3) Uani 1 1 d D U . . .
F7_2 F 0.97379(5) 0.56362(8) 0.43683(5) 0.0249(2) Uani 1 1 d D U . . .
F8_2 F 0.93080(5) 0.59033(9) 0.34070(5) 0.0285(2) Uani 1 1 d D U . . .
F9_2 F 0.91878(6) 0.70312(8) 0.41713(6) 0.0295(2) Uani 1 1 d D U . . .
O1_3 O 0.81827(5) 0.67856(8) 0.61089(5) 0.0161(2) Uani 1 1 d D U . . .
C1_3 C 0.87650(7) 0.68813(11) 0.64693(7) 0.0142(3) Uani 1 1 d D U . . .
C2_3 C 0.85925(8) 0.74962(13) 0.71015(8) 0.0202(3) Uani 1 1 d D U . . .
F1_3 F 0.85098(6) 0.84917(8) 0.69647(6) 0.0311(2) Uani 1 1 d D U . . .
F2_3 F 0.90797(5) 0.74127(9) 0.75568(5) 0.0280(2) Uani 1 1 d D U . . .
F3_3 F 0.80134(5) 0.71622(9) 0.73554(5) 0.0277(2) Uani 1 1 d D U . . .
C3_3 C 0.90407(8) 0.58044(13) 0.66627(8) 0.0183(3) Uani 1 1 d D U . . .
F4_3 F 0.90095(5) 0.51663(8) 0.61521(5) 0.0251(2) Uani 1 1 d D U . . .
F5_3 F 0.86674(6) 0.53856(8) 0.71345(5) 0.0290(2) Uani 1 1 d D U . . .
F6_3 F 0.96836(5) 0.58317(9) 0.68743(5) 0.0275(2) Uani 1 1 d D U . . .
C4_3 C 0.93192(9) 0.74713(14) 0.60807(8) 0.0234(3) Uani 1 1 d D U . . .
F7_3 F 0.96158(5) 0.68541(9) 0.56469(5) 0.0302(2) Uani 1 1 d D U . . .
F8_3 F 0.98040(6) 0.78517(10) 0.64704(6) 0.0355(3) Uani 1 1 d D U . . .
F9_3 F 0.90373(7) 0.82455(9) 0.57503(7) 0.0385(3) 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
Au1 P2 2.4470(6) 2_655 ?
Au1 P2 2.4470(6) . ?
Au1 P1 2.4486(6) . ?
Au1 P1 2.4487(6) 2_655 ?
P1 P3 2.1692(8) . ?
P1 P4 2.1740(7) . ?
P1 P2 2.3992(7) . ?
F1 Al02 1.7668(5) 7_666 ?
F1 Al02 1.7668(5) . ?
P2 P4 2.1701(8) . ?
P2 P3 2.1738(7) . ?
Al02 O1_2 1.7001(12) . ?
Al02 O1_3 1.7046(12) . ?
Al02 O1_1 1.7069(12) . ?
P3 P4 2.2095(8) . ?
O1_1 C1_1 1.3502(18) . ?
C1_1 C3_1 1.554(2) . ?
C1_1 C4_1 1.555(2) . ?
C1_1 C2_1 1.557(2) . ?
C2_1 F3_1 1.328(2) . ?
C2_1 F2_1 1.3296(19) . ?
C2_1 F1_1 1.3335(19) . ?
C3_1 F6_1 1.3286(19) . ?
C3_1 F5_1 1.332(2) . ?
C3_1 F4_1 1.335(2) . ?
C4_1 F9_1 1.3283(19) . ?
C4_1 F7_1 1.332(2) . ?
C4_1 F8_1 1.3386(19) . ?
O1_2 C1_2 1.3537(17) . ?
C1_2 C3_2 1.554(2) . ?
C1_2 C4_2 1.555(2) . ?
C1_2 C2_2 1.555(2) . ?
C2_2 F2_2 1.3282(18) . ?
C2_2 F1_2 1.3284(19) . ?
C2_2 F3_2 1.3362(18) . ?
C3_2 F6_2 1.3259(18) . ?
C3_2 F4_2 1.3281(19) . ?
C3_2 F5_2 1.3384(19) . ?
C4_2 F9_2 1.3281(19) . ?
C4_2 F7_2 1.3305(19) . ?
C4_2 F8_2 1.3413(19) . ?
O1_3 C1_3 1.3590(18) . ?
C1_3 C3_3 1.549(2) . ?
C1_3 C4_3 1.555(2) . ?
C1_3 C2_3 1.559(2) . ?
C2_3 F3_3 1.328(2) . ?
C2_3 F2_3 1.3316(18) . ?
C2_3 F1_3 1.332(2) . ?
C3_3 F6_3 1.3304(18) . ?
C3_3 F5_3 1.3333(18) . ?
C3_3 F4_3 1.3334(19) . ?
C4_3 F9_3 1.329(2) . ?
C4_3 F8_3 1.330(2) . ?
C4_3 F7_3 1.334(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Au1 P2 127.41(2) 2_655 . ?
P2 Au1 P1 161.302(16) 2_655 . ?
P2 Au1 P1 58.691(19) . . ?
P2 Au1 P1 58.691(19) 2_655 2_655 ?
P2 Au1 P1 161.302(17) . 2_655 ?
P1 Au1 P1 122.30(3) . 2_655 ?
P3 P1 P4 61.16(2) . . ?
P3 P1 P2 56.56(2) . . ?
P4 P1 P2 56.40(2) . . ?
P3 P1 Au1 106.63(3) . . ?
P4 P1 Au1 108.78(3) . . ?
P2 P1 Au1 60.621(17) . . ?
Al02 F1 Al02 180.00(3) 7_666 . ?
P4 P2 P3 61.15(2) . . ?
P4 P2 P1 56.55(2) . . ?
P3 P2 P1 56.37(2) . . ?
P4 P2 Au1 108.97(3) . . ?
P3 P2 Au1 106.54(3) . . ?
P1 P2 Au1 60.688(17) . . ?
O1_2 Al02 O1_3 112.50(6) . . ?
O1_2 Al02 O1_1 117.45(6) . . ?
O1_3 Al02 O1_1 112.66(6) . . ?
O1_2 Al02 F1 105.66(5) . . ?
O1_3 Al02 F1 106.40(4) . . ?
O1_1 Al02 F1 100.52(5) . . ?
P1 P3 P2 67.07(3) . . ?
P1 P3 P4 59.53(3) . . ?
P2 P3 P4 59.34(2) . . ?
P2 P4 P1 67.05(3) . . ?
P2 P4 P3 59.51(2) . . ?
P1 P4 P3 59.31(3) . . ?
C1_1 O1_1 Al02 149.85(11) . . ?
O1_1 C1_1 C3_1 111.06(12) . . ?
O1_1 C1_1 C4_1 110.57(13) . . ?
C3_1 C1_1 C4_1 108.92(13) . . ?
O1_1 C1_1 C2_1 107.40(12) . . ?
C3_1 C1_1 C2_1 109.38(13) . . ?
C4_1 C1_1 C2_1 109.48(13) . . ?
F3_1 C2_1 F2_1 107.97(14) . . ?
F3_1 C2_1 F1_1 107.28(14) . . ?
F2_1 C2_1 F1_1 108.18(13) . . ?
F3_1 C2_1 C1_1 110.40(13) . . ?
F2_1 C2_1 C1_1 112.16(13) . . ?
F1_1 C2_1 C1_1 110.68(13) . . ?
F6_1 C3_1 F5_1 107.71(14) . . ?
F6_1 C3_1 F4_1 108.00(14) . . ?
F5_1 C3_1 F4_1 107.18(13) . . ?
F6_1 C3_1 C1_1 112.71(13) . . ?
F5_1 C3_1 C1_1 111.18(13) . . ?
F4_1 C3_1 C1_1 109.84(13) . . ?
F9_1 C4_1 F7_1 107.50(14) . . ?
F9_1 C4_1 F8_1 107.38(14) . . ?
F7_1 C4_1 F8_1 107.74(13) . . ?
F9_1 C4_1 C1_1 110.79(13) . . ?
F7_1 C4_1 C1_1 110.98(13) . . ?
F8_1 C4_1 C1_1 112.24(13) . . ?
C1_2 O1_2 Al02 149.89(10) . . ?
O1_2 C1_2 C3_2 108.95(12) . . ?
O1_2 C1_2 C4_2 108.33(12) . . ?
C3_2 C1_2 C4_2 109.38(12) . . ?
O1_2 C1_2 C2_2 111.01(12) . . ?
C3_2 C1_2 C2_2 109.55(12) . . ?
C4_2 C1_2 C2_2 109.61(12) . . ?
F2_2 C2_2 F1_2 108.17(13) . . ?
F2_2 C2_2 F3_2 107.90(13) . . ?
F1_2 C2_2 F3_2 107.16(13) . . ?
F2_2 C2_2 C1_2 113.04(13) . . ?
F1_2 C2_2 C1_2 110.72(13) . . ?
F3_2 C2_2 C1_2 109.64(12) . . ?
F6_2 C3_2 F4_2 108.16(13) . . ?
F6_2 C3_2 F5_2 108.04(13) . . ?
F4_2 C3_2 F5_2 107.20(13) . . ?
F6_2 C3_2 C1_2 112.69(13) . . ?
F4_2 C3_2 C1_2 110.71(13) . . ?
F5_2 C3_2 C1_2 109.85(13) . . ?
F9_2 C4_2 F7_2 107.57(14) . . ?
F9_2 C4_2 F8_2 107.74(13) . . ?
F7_2 C4_2 F8_2 107.74(13) . . ?
F9_2 C4_2 C1_2 110.93(13) . . ?
F7_2 C4_2 C1_2 110.99(13) . . ?
F8_2 C4_2 C1_2 111.69(13) . . ?
C1_3 O1_3 Al02 147.38(10) . . ?
O1_3 C1_3 C3_3 110.19(12) . . ?
O1_3 C1_3 C4_3 110.94(12) . . ?
C3_3 C1_3 C4_3 109.30(13) . . ?
O1_3 C1_3 C2_3 107.88(12) . . ?
C3_3 C1_3 C2_3 109.22(12) . . ?
C4_3 C1_3 C2_3 109.27(13) . . ?
F3_3 C2_3 F2_3 108.19(14) . . ?
F3_3 C2_3 F1_3 107.22(13) . . ?
F2_3 C2_3 F1_3 108.10(13) . . ?
F3_3 C2_3 C1_3 110.55(13) . . ?
F2_3 C2_3 C1_3 112.12(13) . . ?
F1_3 C2_3 C1_3 110.49(13) . . ?
F6_3 C3_3 F5_3 107.61(13) . . ?
F6_3 C3_3 F4_3 107.85(13) . . ?
F5_3 C3_3 F4_3 106.95(13) . . ?
F6_3 C3_3 C1_3 112.73(13) . . ?
F5_3 C3_3 C1_3 111.07(13) . . ?
F4_3 C3_3 C1_3 110.39(12) . . ?
F9_3 C4_3 F8_3 108.35(15) . . ?
F9_3 C4_3 F7_3 107.42(14) . . ?
F8_3 C4_3 F7_3 107.86(14) . . ?
F9_3 C4_3 C1_3 110.02(14) . . ?
F8_3 C4_3 C1_3 112.17(14) . . ?
F7_3 C4_3 C1_3 110.86(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_2 Al02 O1_1 C1_1 87.1(2) . . . . ?
O1_3 Al02 O1_1 C1_1 -46.1(2) . . . . ?
F1 Al02 O1_1 C1_1 -159.0(2) . . . . ?
Al02 O1_1 C1_1 C3_1 -52.6(3) . . . . ?
Al02 O1_1 C1_1 C4_1 68.4(2) . . . . ?
Al02 O1_1 C1_1 C2_1 -172.17(17) . . . . ?
O1_1 C1_1 C2_1 F3_1 44.75(17) . . . . ?
C3_1 C1_1 C2_1 F3_1 -75.88(16) . . . . ?
C4_1 C1_1 C2_1 F3_1 164.84(13) . . . . ?
O1_1 C1_1 C2_1 F2_1 165.21(13) . . . . ?
C3_1 C1_1 C2_1 F2_1 44.58(17) . . . . ?
C4_1 C1_1 C2_1 F2_1 -74.70(17) . . . . ?
O1_1 C1_1 C2_1 F1_1 -73.87(16) . . . . ?
C3_1 C1_1 C2_1 F1_1 165.50(13) . . . . ?
C4_1 C1_1 C2_1 F1_1 46.22(17) . . . . ?
O1_1 C1_1 C3_1 F6_1 162.67(13) . . . . ?
C4_1 C1_1 C3_1 F6_1 40.67(18) . . . . ?
C2_1 C1_1 C3_1 F6_1 -78.95(17) . . . . ?
O1_1 C1_1 C3_1 F5_1 -76.27(17) . . . . ?
C4_1 C1_1 C3_1 F5_1 161.73(13) . . . . ?
C2_1 C1_1 C3_1 F5_1 42.11(17) . . . . ?
O1_1 C1_1 C3_1 F4_1 42.20(18) . . . . ?
C4_1 C1_1 C3_1 F4_1 -79.80(16) . . . . ?
C2_1 C1_1 C3_1 F4_1 160.57(13) . . . . ?
O1_1 C1_1 C4_1 F9_1 41.17(18) . . . . ?
C3_1 C1_1 C4_1 F9_1 163.47(13) . . . . ?
C2_1 C1_1 C4_1 F9_1 -76.97(16) . . . . ?
O1_1 C1_1 C4_1 F7_1 -78.18(16) . . . . ?
C3_1 C1_1 C4_1 F7_1 44.13(17) . . . . ?
C2_1 C1_1 C4_1 F7_1 163.69(13) . . . . ?
O1_1 C1_1 C4_1 F8_1 161.20(13) . . . . ?
C3_1 C1_1 C4_1 F8_1 -76.49(17) . . . . ?
C2_1 C1_1 C4_1 F8_1 43.07(18) . . . . ?
O1_3 Al02 O1_2 C1_2 -167.6(2) . . . . ?
O1_1 Al02 O1_2 C1_2 59.2(2) . . . . ?
F1 Al02 O1_2 C1_2 -51.9(2) . . . . ?
Al02 O1_2 C1_2 C3_2 -113.0(2) . . . . ?
Al02 O1_2 C1_2 C4_2 128.12(19) . . . . ?
Al02 O1_2 C1_2 C2_2 7.7(3) . . . . ?
O1_2 C1_2 C2_2 F2_2 -161.38(13) . . . . ?
C3_2 C1_2 C2_2 F2_2 -41.02(17) . . . . ?
C4_2 C1_2 C2_2 F2_2 78.99(16) . . . . ?
O1_2 C1_2 C2_2 F1_2 77.07(16) . . . . ?
C3_2 C1_2 C2_2 F1_2 -162.57(12) . . . . ?
C4_2 C1_2 C2_2 F1_2 -42.55(16) . . . . ?
O1_2 C1_2 C2_2 F3_2 -40.95(17) . . . . ?
C3_2 C1_2 C2_2 F3_2 79.40(15) . . . . ?
C4_2 C1_2 C2_2 F3_2 -160.58(13) . . . . ?
O1_2 C1_2 C3_2 F6_2 -164.43(13) . . . . ?
C4_2 C1_2 C3_2 F6_2 -46.19(17) . . . . ?
C2_2 C1_2 C3_2 F6_2 73.96(16) . . . . ?
O1_2 C1_2 C3_2 F4_2 -43.16(17) . . . . ?
C4_2 C1_2 C3_2 F4_2 75.08(16) . . . . ?
C2_2 C1_2 C3_2 F4_2 -164.76(12) . . . . ?
O1_2 C1_2 C3_2 F5_2 75.05(16) . . . . ?
C4_2 C1_2 C3_2 F5_2 -166.71(13) . . . . ?
C2_2 C1_2 C3_2 F5_2 -46.55(16) . . . . ?
O1_2 C1_2 C4_2 F9_2 -45.81(17) . . . . ?
C3_2 C1_2 C4_2 F9_2 -164.43(13) . . . . ?
C2_2 C1_2 C4_2 F9_2 75.45(16) . . . . ?
O1_2 C1_2 C4_2 F7_2 73.72(16) . . . . ?
C3_2 C1_2 C4_2 F7_2 -44.90(17) . . . . ?
C2_2 C1_2 C4_2 F7_2 -165.02(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 -166.02(12) . . . . ?
C3_2 C1_2 C4_2 F8_2 75.35(16) . . . . ?
C2_2 C1_2 C4_2 F8_2 -44.77(17) . . . . ?
O1_2 Al02 O1_3 C1_3 0.2(2) . . . . ?
O1_1 Al02 O1_3 C1_3 135.74(19) . . . . ?
F1 Al02 O1_3 C1_3 -115.04(19) . . . . ?
Al02 O1_3 C1_3 C3_3 -66.2(2) . . . . ?
Al02 O1_3 C1_3 C4_3 55.0(2) . . . . ?
Al02 O1_3 C1_3 C2_3 174.65(15) . . . . ?
O1_3 C1_3 C2_3 F3_3 43.64(17) . . . . ?
C3_3 C1_3 C2_3 F3_3 -76.14(16) . . . . ?
C4_3 C1_3 C2_3 F3_3 164.35(13) . . . . ?
O1_3 C1_3 C2_3 F2_3 164.45(13) . . . . ?
C3_3 C1_3 C2_3 F2_3 44.68(18) . . . . ?
C4_3 C1_3 C2_3 F2_3 -74.84(17) . . . . ?
O1_3 C1_3 C2_3 F1_3 -74.89(16) . . . . ?
C3_3 C1_3 C2_3 F1_3 165.33(12) . . . . ?
C4_3 C1_3 C2_3 F1_3 45.82(17) . . . . ?
O1_3 C1_3 C3_3 F6_3 164.71(12) . . . . ?
C4_3 C1_3 C3_3 F6_3 42.55(17) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.95(16) . . . . ?
O1_3 C1_3 C3_3 F5_3 -74.42(16) . . . . ?
C4_3 C1_3 C3_3 F5_3 163.42(13) . . . . ?
C2_3 C1_3 C3_3 F5_3 43.92(17) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.03(17) . . . . ?
C4_3 C1_3 C3_3 F4_3 -78.13(16) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.37(12) . . . . ?
O1_3 C1_3 C4_3 F9_3 40.02(19) . . . . ?
C3_3 C1_3 C4_3 F9_3 161.73(14) . . . . ?
C2_3 C1_3 C4_3 F9_3 -78.80(17) . . . . ?
O1_3 C1_3 C4_3 F8_3 160.71(14) . . . . ?
C3_3 C1_3 C4_3 F8_3 -77.58(17) . . . . ?
C2_3 C1_3 C4_3 F8_3 41.89(18) . . . . ?
O1_3 C1_3 C4_3 F7_3 -78.65(16) . . . . ?
C3_3 C1_3 C4_3 F7_3 43.06(17) . . . . ?
C2_3 C1_3 C4_3 F7_3 162.53(13) . . . . ?

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

data_IK_MSSN08
_database_code_depnum_ccdc_archive 'CCDC 2270714'
loop_
_audit_author_name
_audit_author_address
'Manuel Schmitt'
;Albert Ludwigs Universitaet Freiburg 
Germany
;
_audit_update_record             
;
2023-06-19 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V121 by Daniel Kratzert, Freiburg 2023, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C37 H8 Al2 Au F59 O7'
_chemical_formula_moiety         'C24 Al2 F55 O6, C6 H2 F4, C7 H6 Au O'
_chemical_formula_weight         1936.36
_chemical_melting_point          ?
_chemical_absolute_configuration ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.3633(17)
_cell_length_b                   21.779(5)
_cell_length_c                   12.483(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.548(8)
_cell_angle_gamma                90
_cell_volume                     2786.2(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9403
_cell_measurement_theta_min      2.1965
_cell_measurement_theta_max      35.676
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystallisation by layering of a saturated solution in1,2,3,4-tetrafluorobenzene with hexane at -30°C.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.308
_exptl_crystal_F_000             1844
_exptl_crystal_size_max          0.483
_exptl_crystal_size_mid          0.318
_exptl_crystal_size_min          0.126
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4866
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.333
_shelx_estimated_absorpt_T_max   0.710
_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           1.4
_diffrn_source_current           50.0
_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            317126
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_theta_min         1.650
_diffrn_reflns_theta_max         36.407
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             24148
_reflns_number_gt                20174
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_max     0.832
_reflns_Friedel_fraction_full    1.000
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.14 Patch 4/2020-11-09'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT (G. Sheldrick)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0327P)²+1.2716P] 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         24148
_refine_ls_number_parameters     1418
_refine_ls_number_restraints     13737
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0714
_refine_ls_wR_factor_gt          0.0673
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.129
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   -0.0095(8)
_refine_ls_abs_structure_details 
;
 Flack x determined using 8343 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;

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'
Au Au -2.0133 8.8022 '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
Al1 Al 0.32728(7) 0.40895(5) -0.00762(6) 0.01400(12) Uani 1 1 d . . . . .
Al2 Al 0.28588(8) 0.48057(5) 0.23673(7) 0.02125(15) Uani 1 1 d . . . . .
F1 F 0.31564(18) 0.44390(9) 0.11810(13) 0.0251(3) Uani 1 1 d . . . . .
O1_1 O 0.1705(3) 0.53478(11) 0.1988(3) 0.0476(7) Uani 1 1 d D U . . .
C1_1 C 0.1349(3) 0.59282(13) 0.1707(3) 0.0292(6) Uani 1 1 d D U . . .
C2_1 C 0.1742(3) 0.63696(13) 0.2672(3) 0.0309(6) Uani 1 1 d D U . . .
F1_1 F 0.30103(17) 0.65008(13) 0.27787(19) 0.0442(4) Uani 1 1 d D U . . .
F2_1 F 0.1084(2) 0.68965(10) 0.2563(2) 0.0405(5) Uani 1 1 d D U . . .
F3_1 F 0.1515(2) 0.61155(13) 0.3598(2) 0.0472(5) Uani 1 1 d D U . . .
C3_1 C -0.0161(3) 0.59384(15) 0.1386(3) 0.0323(6) Uani 1 1 d D U . . .
F4_1 F -0.0564(3) 0.54516(13) 0.0798(2) 0.0509(6) Uani 1 1 d D U . . .
F5_1 F -0.07461(19) 0.59234(11) 0.22649(19) 0.0380(4) Uani 1 1 d D U . . .
F6_1 F -0.0576(2) 0.64335(14) 0.08220(18) 0.0440(5) Uani 1 1 d D U . . .
C4_1 C 0.2004(4) 0.6137(2) 0.0728(4) 0.0464(10) Uani 1 1 d D U . . .
F7_1 F 0.1432(3) 0.58751(17) -0.0179(3) 0.0715(10) Uani 1 1 d D U . . .
F8_1 F 0.1947(3) 0.67442(13) 0.0589(2) 0.0509(6) Uani 1 1 d D U . . .
F9_1 F 0.3254(3) 0.59716(13) 0.0885(3) 0.0607(8) Uani 1 1 d D U . . .
O1_2 O 0.2323(3) 0.42460(12) 0.3151(2) 0.0373(5) Uani 1 1 d D U . . .
C1_2 C 0.1326(3) 0.40180(13) 0.3619(2) 0.0240(5) Uani 1 1 d D U . . .
C2_2 C 0.0732(3) 0.45211(14) 0.4283(3) 0.0289(5) Uani 1 1 d D U . . .
F1_2 F -0.0047(2) 0.48937(10) 0.36298(18) 0.0382(4) Uani 1 1 d D U . . .
F2_2 F 0.0032(2) 0.42865(11) 0.49959(17) 0.0385(4) Uani 1 1 d D U . . .
F3_2 F 0.1666(2) 0.48658(12) 0.4823(2) 0.0489(6) Uani 1 1 d D U . . .
C3_2 C 0.1909(3) 0.34987(15) 0.4393(2) 0.0283(5) Uani 1 1 d D U . . .
F4_2 F 0.2691(2) 0.31411(12) 0.3920(2) 0.0451(5) Uani 1 1 d D U . . .
F5_2 F 0.2595(2) 0.37293(12) 0.52861(19) 0.0428(5) Uani 1 1 d D U . . .
F6_2 F 0.0992(2) 0.31366(10) 0.47027(17) 0.0356(4) Uani 1 1 d D U . . .
C4_2 C 0.0243(4) 0.37540(16) 0.2756(3) 0.0344(6) Uani 1 1 d D U . . .
F7_2 F 0.0623(3) 0.32171(12) 0.2378(2) 0.0538(6) Uani 1 1 d D U . . .
F8_2 F -0.0865(2) 0.36563(12) 0.3146(2) 0.0452(5) Uani 1 1 d D U . . .
F9_2 F 0.0010(3) 0.41359(13) 0.19261(18) 0.0546(7) Uani 1 1 d D U . . .
O1_3 O 0.4184(7) 0.5160(3) 0.2878(7) 0.0296(14) Uani 0.506(5) 1 d D U P A 1
C1_3 C 0.5329(10) 0.5134(4) 0.3574(8) 0.0235(17) Uani 0.506(5) 1 d D U P A 1
C2_3 C 0.5017(6) 0.5257(3) 0.4730(4) 0.0271(11) Uani 0.506(5) 1 d D U P A 1
F1_3 F 0.4558(4) 0.4751(3) 0.5126(3) 0.0360(10) Uani 0.506(5) 1 d D U P A 1
F2_3 F 0.6087(16) 0.5432(8) 0.5419(13) 0.036(3) Uani 0.506(5) 1 d D U P A 1
F3_3 F 0.4159(11) 0.5701(5) 0.4757(14) 0.0360(18) Uani 0.506(5) 1 d D U P A 1
C3_3 C 0.6227(6) 0.5665(3) 0.3254(5) 0.0284(11) Uani 0.506(5) 1 d D U P A 1
F4_3 F 0.6203(10) 0.5672(6) 0.2201(7) 0.042(2) Uani 0.506(5) 1 d D U P A 1
F5_3 F 0.5807(4) 0.62116(19) 0.3527(4) 0.0342(9) Uani 0.506(5) 1 d D U P A 1
F6_3 F 0.7460(8) 0.5602(4) 0.3737(7) 0.0417(17) Uani 0.506(5) 1 d D U P A 1
C4_3 C 0.6036(7) 0.4523(3) 0.3521(6) 0.0380(14) Uani 0.506(5) 1 d D U P A 1
F7_3 F 0.6586(8) 0.4488(3) 0.2629(5) 0.0538(14) Uani 0.506(5) 1 d D U P A 1
F8_3 F 0.6955(5) 0.4432(3) 0.4392(6) 0.0447(12) Uani 0.506(5) 1 d D U P A 1
F9_3 F 0.5616(10) 0.3960(3) 0.3698(7) 0.059(2) Uani 0.506(5) 1 d D U P A 1
O1_4 O 0.1729(7) 0.3848(4) -0.0449(6) 0.0276(15) Uani 0.800(5) 1 d D U P B 1
C1_4 C 0.0675(5) 0.3777(2) -0.1219(4) 0.0182(9) Uani 0.800(5) 1 d D U P B 1
C2_4 C -0.0296(4) 0.43214(18) -0.1190(3) 0.0299(7) Uani 0.800(5) 1 d D U P B 1
F1_4 F -0.0949(4) 0.42679(19) -0.0354(3) 0.0419(8) Uani 0.800(5) 1 d D U P B 1
F2_4 F -0.1167(3) 0.43433(16) -0.2087(3) 0.0414(7) Uani 0.800(5) 1 d D U P B 1
F3_4 F 0.0355(8) 0.4843(3) -0.1085(5) 0.0470(15) Uani 0.800(5) 1 d D U P B 1
C3_4 C 0.1096(3) 0.37482(18) -0.2362(3) 0.0259(7) Uani 0.800(5) 1 d D U P B 1
F4_4 F 0.2176(5) 0.3422(4) -0.2335(6) 0.0382(14) Uani 0.800(5) 1 d D U P B 1
F5_4 F 0.1346(5) 0.4305(2) -0.2716(4) 0.0329(9) Uani 0.800(5) 1 d D U P B 1
F6_4 F 0.0182(4) 0.3492(2) -0.3097(2) 0.0373(8) Uani 0.800(5) 1 d D U P B 1
C4_4 C -0.0018(3) 0.31692(16) -0.0992(3) 0.0237(6) Uani 0.800(5) 1 d D U P B 1
F7_4 F 0.0652(4) 0.26887(15) -0.1278(3) 0.0383(8) Uani 0.800(5) 1 d D U P B 1
F8_4 F -0.1225(5) 0.3128(2) -0.1531(5) 0.0315(11) Uani 0.800(5) 1 d D U P B 1
F9_4 F -0.0075(10) 0.3106(4) 0.0054(6) 0.0363(18) Uani 0.800(5) 1 d D U P B 1
O1_5 O 0.37403(18) 0.46588(10) -0.08820(17) 0.0215(3) Uani 1 1 d D U . . .
C1_5 C 0.4746(2) 0.49020(12) -0.1326(2) 0.0189(4) Uani 1 1 d D U . . .
C2_5 C 0.4197(3) 0.54477(13) -0.2063(2) 0.0263(5) Uani 1 1 d D U . . .
F1_5 F 0.34908(19) 0.52457(10) -0.29708(15) 0.0342(4) Uani 1 1 d D U . . .
F2_5 F 0.5151(2) 0.58035(9) -0.23365(18) 0.0343(4) Uani 1 1 d D U . . .
F3_5 F 0.3421(2) 0.58006(10) -0.15646(18) 0.0368(4) Uani 1 1 d D U . . .
C3_5 C 0.5829(3) 0.51440(14) -0.0430(2) 0.0258(5) Uani 1 1 d D U . . .
F4_5 F 0.6053(2) 0.47369(10) 0.03723(16) 0.0345(4) Uani 1 1 d D U . . .
F5_5 F 0.5484(2) 0.56681(10) -0.00153(18) 0.0366(4) Uani 1 1 d D U . . .
F6_5 F 0.69636(19) 0.52374(11) -0.08072(18) 0.0335(4) Uani 1 1 d D U . . .
C4_5 C 0.5338(2) 0.44189(13) -0.2028(2) 0.0224(5) Uani 1 1 d D U . . .
F7_5 F 0.61071(17) 0.40284(9) -0.14073(15) 0.0286(3) Uani 1 1 d D U . . .
F8_5 F 0.60492(17) 0.46726(9) -0.27171(15) 0.0275(3) Uani 1 1 d D U . . .
F9_5 F 0.43993(18) 0.40909(10) -0.26052(17) 0.0331(4) Uani 1 1 d D U . . .
O1_6 O 0.4344(13) 0.3512(4) 0.0122(12) 0.028(2) Uani 0.677(4) 1 d D U P B 1
C1_6 C 0.4782(7) 0.2957(4) 0.0508(6) 0.0218(13) Uani 0.677(4) 1 d D U P B 1
C2_6 C 0.6284(7) 0.2998(4) 0.0882(7) 0.0401(16) Uani 0.677(4) 1 d D U P B 1
F1_6 F 0.6585(4) 0.3486(2) 0.1476(4) 0.0645(13) Uani 0.677(4) 1 d D U P B 1
F2_6 F 0.6736(8) 0.2514(4) 0.1485(7) 0.075(2) Uani 0.677(4) 1 d D U P B 1
F3_6 F 0.6927(3) 0.3017(2) 0.0044(4) 0.0544(11) Uani 0.677(4) 1 d D U P B 1
C3_6 C 0.4520(7) 0.2480(3) -0.0438(6) 0.0433(15) Uani 0.677(4) 1 d D U P B 1
F4_6 F 0.3248(4) 0.2332(2) -0.0595(4) 0.0618(12) Uani 0.677(4) 1 d D U P B 1
F5_6 F 0.4787(7) 0.2730(3) -0.1351(4) 0.0702(14) Uani 0.677(4) 1 d D U P B 1
F6_6 F 0.5212(11) 0.1969(4) -0.0191(8) 0.071(3) Uani 0.677(4) 1 d D U P B 1
C4_6 C 0.4093(7) 0.2744(3) 0.1460(5) 0.0357(13) Uani 0.677(4) 1 d D U P B 1
F7_6 F 0.2826(3) 0.2869(2) 0.1249(4) 0.0483(11) Uani 0.677(4) 1 d D U P B 1
F8_6 F 0.4197(13) 0.2134(5) 0.1625(13) 0.048(2) Uani 0.677(4) 1 d D U P B 1
F9_6 F 0.4570(5) 0.3028(2) 0.2367(3) 0.0642(13) Uani 0.677(4) 1 d D U P B 1
C1_7 C 0.2670(3) 0.75591(19) 0.5096(4) 0.0411(8) Uani 1 1 d . . . . .
C2_7 C 0.3661(4) 0.72073(17) 0.5618(3) 0.0344(6) Uani 1 1 d . . . . .
C3_7 C 0.4846(3) 0.72148(17) 0.5267(3) 0.0347(6) Uani 1 1 d . . . . .
C4_7 C 0.5030(4) 0.75641(19) 0.4388(4) 0.0409(9) Uani 1 1 d . . . . .
C5_7 C 0.4049(5) 0.79168(19) 0.3861(3) 0.0497(10) Uani 1 1 d . . . . .
H5_7 H 0.418652 0.815805 0.325371 0.060 Uiso 1 1 calc R U . . .
C6_7 C 0.2839(5) 0.79183(19) 0.4226(4) 0.0508(10) Uani 1 1 d . . . . .
H6_7 H 0.214368 0.816444 0.387726 0.061 Uiso 1 1 calc R U . . .
F1_7 F 0.1517(3) 0.75320(18) 0.5472(3) 0.0784(11) Uani 1 1 d . . . . .
F2_7 F 0.3499(3) 0.68434(16) 0.6454(2) 0.0643(8) Uani 1 1 d . . . . .
F3_7 F 0.5837(3) 0.68733(15) 0.5770(3) 0.0645(8) Uani 1 1 d . . . . .
F4_7 F 0.6194(3) 0.75451(17) 0.4048(3) 0.0733(10) Uani 1 1 d . . . . .
O1_8 O 0.4515(6) 0.5005(4) 0.2860(6) 0.0291(14) Uani 0.494(5) 1 d D U P A 2
C1_8 C 0.5521(10) 0.5062(4) 0.3697(8) 0.0247(17) Uani 0.494(5) 1 d D U P A 2
C2_8 C 0.6740(6) 0.5210(3) 0.3171(5) 0.0310(12) Uani 0.494(5) 1 d D U P A 2
F1_8 F 0.7201(6) 0.4712(3) 0.2740(5) 0.0490(13) Uani 0.494(5) 1 d D U P A 2
F2_8 F 0.7694(8) 0.5434(4) 0.3923(7) 0.0374(15) Uani 0.494(5) 1 d D U P A 2
F3_8 F 0.6506(9) 0.5628(6) 0.2394(8) 0.0362(17) Uani 0.494(5) 1 d D U P A 2
C3_8 C 0.5245(6) 0.5591(3) 0.4464(5) 0.0282(12) Uani 0.494(5) 1 d D U P A 2
F4_8 F 0.4008(11) 0.5566(6) 0.4641(15) 0.046(3) Uani 0.494(5) 1 d D U P A 2
F5_8 F 0.5437(5) 0.6128(2) 0.4006(4) 0.0380(10) Uani 0.494(5) 1 d D U P A 2
F6_8 F 0.6049(19) 0.5568(8) 0.5398(14) 0.037(3) Uani 0.494(5) 1 d D U P A 2
C4_8 C 0.5728(7) 0.4451(3) 0.4344(6) 0.0377(14) Uani 0.494(5) 1 d D U P A 2
F7_8 F 0.4845(5) 0.4390(3) 0.5022(4) 0.0447(13) Uani 0.494(5) 1 d D U P A 2
F8_8 F 0.6889(5) 0.4429(2) 0.4958(5) 0.0421(11) Uani 0.494(5) 1 d D U P A 2
F9_8 F 0.5173(7) 0.4067(3) 0.3492(8) 0.0479(17) Uani 0.494(5) 1 d D U P A 2
O1_9 O 0.449(3) 0.3535(9) 0.024(3) 0.025(3) Uani 0.323(4) 1 d D U P B 2
C1_9 C 0.4862(14) 0.2946(8) 0.0476(12) 0.025(3) Uani 0.323(4) 1 d D U P B 2
C2_9 C 0.4906(12) 0.2581(6) -0.0583(10) 0.039(2) Uani 0.323(4) 1 d D U P B 2
F1_9 F 0.5963(8) 0.2718(3) -0.1007(6) 0.0465(18) Uani 0.323(4) 1 d D U P B 2
F2_9 F 0.5013(17) 0.1984(6) -0.0432(11) 0.034(2) Uani 0.323(4) 1 d D U P B 2
F3_9 F 0.3888(10) 0.2680(4) -0.1313(6) 0.054(2) Uani 0.323(4) 1 d D U P B 2
C3_9 C 0.3879(12) 0.2648(6) 0.1148(10) 0.033(2) Uani 0.323(4) 1 d D U P B 2
F4_9 F 0.3522(9) 0.3046(4) 0.1852(7) 0.051(2) Uani 0.323(4) 1 d D U P B 2
F5_9 F 0.2809(6) 0.2476(3) 0.0503(7) 0.0470(19) Uani 0.323(4) 1 d D U P B 2
F6_9 F 0.442(3) 0.2167(10) 0.172(2) 0.040(4) Uani 0.323(4) 1 d D U P B 2
C4_9 C 0.6240(14) 0.2989(6) 0.1161(10) 0.030(3) Uani 0.323(4) 1 d D U P B 2
F7_9 F 0.6145(8) 0.3157(4) 0.2167(6) 0.0461(18) Uani 0.323(4) 1 d D U P B 2
F8_9 F 0.6786(16) 0.2428(5) 0.1228(9) 0.031(2) Uani 0.323(4) 1 d D U P B 2
F9_9 F 0.6977(6) 0.3375(4) 0.0727(8) 0.0454(19) Uani 0.323(4) 1 d D U P B 2
O1_10 O 0.160(2) 0.3924(16) -0.041(2) 0.018(4) Uani 0.200(5) 1 d D U P B 2
C1_10 C 0.0657(18) 0.3776(7) -0.1252(15) 0.021(3) Uani 0.200(5) 1 d D U P B 2
C2_10 C 0.0277(12) 0.4354(6) -0.1945(10) 0.027(2) Uani 0.200(5) 1 d D U P B 2
F1_10 F 0.1175(19) 0.4476(8) -0.2585(17) 0.033(4) Uani 0.200(5) 1 d D U P B 2
F2_10 F -0.0878(11) 0.4294(5) -0.2583(11) 0.032(2) Uani 0.200(5) 1 d D U P B 2
F3_10 F 0.021(3) 0.4850(10) -0.1339(17) 0.036(4) Uani 0.200(5) 1 d D U P B 2
C3_10 C -0.0548(11) 0.3550(5) -0.0756(9) 0.022(2) Uani 0.200(5) 1 d D U P B 2
F4_10 F -0.022(3) 0.3153(13) 0.004(2) 0.020(3) Uani 0.200(5) 1 d D U P B 2
F5_10 F -0.1146(11) 0.4007(6) -0.0333(10) 0.030(2) Uani 0.200(5) 1 d D U P B 2
F6_10 F -0.140(2) 0.3284(9) -0.1515(19) 0.026(3) Uani 0.200(5) 1 d D U P B 2
C4_10 C 0.1112(12) 0.3270(5) -0.1979(10) 0.025(2) Uani 0.200(5) 1 d D U P B 2
F7_10 F 0.1066(14) 0.2717(5) -0.1507(11) 0.031(3) Uani 0.200(5) 1 d D U P B 2
F8_10 F 0.0356(13) 0.3234(6) -0.2936(9) 0.031(2) Uani 0.200(5) 1 d D U P B 2
F9_10 F 0.2338(16) 0.3347(12) -0.213(2) 0.029(4) Uani 0.200(5) 1 d D U P B 2
Au1_11 Au 0.93964(17) 0.65685(15) 0.53404(18) 0.0421(4) Uani 0.296(7) 1 d D U P
C 1
C1_11 C 1.0466(16) 0.5962(7) 0.6809(12) 0.030(2) Uani 0.296(7) 1 d . U P C 1
H1_11 H 1.108814 0.577816 0.642111 0.036 Uiso 0.296(7) 1 calc R U P C 1
C2_11 C 0.9211(15) 0.5715(8) 0.6713(14) 0.030(2) Uani 0.296(7) 1 d . U P C 1
H2_11 H 0.897507 0.537042 0.625993 0.036 Uiso 0.296(7) 1 calc R U P C 1
C3_11 C 0.8338(16) 0.5976(8) 0.7278(15) 0.032(3) Uani 0.296(7) 1 d . U P C 1
H3_11 H 0.747355 0.581963 0.720545 0.039 Uiso 0.296(7) 1 calc R U P C 1
C4_11 C 0.8681(15) 0.6462(9) 0.7950(13) 0.033(3) Uani 0.296(7) 1 d . U P C 1
H4_11 H 0.806215 0.662418 0.836466 0.040 Uiso 0.296(7) 1 calc R U P C 1
C5_11 C 0.9900(13) 0.6723(6) 0.8042(10) 0.029(2) Uani 0.296(7) 1 d . U P C 1
H5_11 H 1.010729 0.707093 0.849532 0.034 Uiso 0.296(7) 1 calc R U P C 1
C6_11 C 1.0831(10) 0.6476(7) 0.7468(9) 0.0278(18) Uani 0.296(7) 1 d . U P C 1
H6_11 H 1.168047 0.664747 0.751909 0.033 Uiso 0.296(7) 1 calc R U P C 1
C7_11 C 0.878(3) 0.691(2) 0.397(2) 0.031(3) Uani 0.296(7) 1 d D U P C 1
O1_11 O 0.8533(19) 0.7176(9) 0.3297(13) 0.032(2) Uani 0.296(7) 1 d D U P C 1
Au1_12 Au 0.92888(11) 0.64640(3) 0.53633(7) 0.03928(16) Uani 0.704(7) 1 d D U P
C 2
C1_12 C 1.0618(7) 0.6170(4) 0.6843(7) 0.0426(14) Uani 0.704(7) 1 d . U P C 2
H1_12 H 1.138434 0.611744 0.651971 0.051 Uiso 0.704(7) 1 calc R U P C 2
C2_12 C 0.9621(7) 0.5726(4) 0.6707(6) 0.0363(13) Uani 0.704(7) 1 d . U P C 2
H2_12 H 0.970431 0.537124 0.627877 0.044 Uiso 0.704(7) 1 calc R U P C 2
C3_12 C 0.8524(8) 0.5804(3) 0.7194(6) 0.0342(12) Uani 0.704(7) 1 d . U P C 2
H3_12 H 0.785061 0.550461 0.709337 0.041 Uiso 0.704(7) 1 calc R U P C 2
C4_12 C 0.8393(7) 0.6315(3) 0.7830(6) 0.0342(13) Uani 0.704(7) 1 d . U P C 2
H4_12 H 0.763779 0.635888 0.817068 0.041 Uiso 0.704(7) 1 calc R U P C 2
C5_12 C 0.9342(9) 0.6760(3) 0.7973(7) 0.0531(17) Uani 0.704(7) 1 d . U P C 2
H5_12 H 0.924206 0.710851 0.841066 0.064 Uiso 0.704(7) 1 calc R U P C 2
C6_12 C 1.0453(8) 0.6699(4) 0.7474(7) 0.0576(17) Uani 0.704(7) 1 d . U P C 2
H6_12 H 1.110063 0.701101 0.755604 0.069 Uiso 0.704(7) 1 calc R U P C 2
C7_12 C 0.8618(16) 0.6884(10) 0.4054(11) 0.043(2) Uani 0.704(7) 1 d D U P C 2
O1_12 O 0.8231(11) 0.7064(5) 0.3200(8) 0.066(3) Uani 0.704(7) 1 d D U P C 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O1_6 1.672(9) . ?
Al1 O1_4 1.683(6) . ?
Al1 O1_5 1.711(2) . ?
Al1 O1_9 1.75(2) . ?
Al1 F1 1.7644(18) . ?
Al1 O1_10 1.76(2) . ?
Al2 O1_3 1.621(8) . ?
Al2 O1_1 1.697(3) . ?
Al2 O1_2 1.707(2) . ?
Al2 F1 1.7498(18) . ?
Al2 O1_8 1.788(7) . ?
O1_1 C1_1 1.348(4) . ?
C1_1 C2_1 1.548(4) . ?
C1_1 C4_1 1.551(5) . ?
C1_1 C3_1 1.557(4) . ?
C2_1 F2_1 1.331(3) . ?
C2_1 F1_1 1.333(3) . ?
C2_1 F3_1 1.334(4) . ?
C3_1 F4_1 1.322(4) . ?
C3_1 F6_1 1.324(4) . ?
C3_1 F5_1 1.331(4) . ?
C4_1 F7_1 1.327(6) . ?
C4_1 F9_1 1.331(5) . ?
C4_1 F8_1 1.333(4) . ?
O1_2 C1_2 1.354(3) . ?
C1_2 C4_2 1.546(4) . ?
C1_2 C3_2 1.550(4) . ?
C1_2 C2_2 1.555(4) . ?
C2_2 F3_2 1.327(4) . ?
C2_2 F2_2 1.331(4) . ?
C2_2 F1_2 1.334(4) . ?
C3_2 F4_2 1.324(4) . ?
C3_2 F5_2 1.329(4) . ?
C3_2 F6_2 1.335(3) . ?
C4_2 F9_2 1.323(4) . ?
C4_2 F8_2 1.329(4) . ?
C4_2 F7_2 1.342(4) . ?
O1_3 C1_3 1.365(10) . ?
C1_3 C4_3 1.525(10) . ?
C1_3 C2_3 1.548(10) . ?
C1_3 C3_3 1.572(10) . ?
C2_3 F3_3 1.318(12) . ?
C2_3 F1_3 1.325(7) . ?
C2_3 F2_3 1.353(12) . ?
C3_3 F4_3 1.311(10) . ?
C3_3 F5_3 1.329(7) . ?
C3_3 F6_3 1.337(9) . ?
C4_3 F7_3 1.327(8) . ?
C4_3 F9_3 1.330(10) . ?
C4_3 F8_3 1.349(9) . ?
O1_4 C1_4 1.352(6) . ?
C1_4 C4_4 1.553(6) . ?
C1_4 C3_4 1.554(6) . ?
C1_4 C2_4 1.559(6) . ?
C2_4 F3_4 1.318(8) . ?
C2_4 F1_4 1.330(5) . ?
C2_4 F2_4 1.331(5) . ?
C3_4 F4_4 1.321(7) . ?
C3_4 F5_4 1.329(6) . ?
C3_4 F6_4 1.339(4) . ?
C4_4 F9_4 1.322(8) . ?
C4_4 F8_4 1.332(5) . ?
C4_4 F7_4 1.334(5) . ?
O1_5 C1_5 1.359(3) . ?
C1_5 C4_5 1.553(4) . ?
C1_5 C3_5 1.554(4) . ?
C1_5 C2_5 1.558(4) . ?
C2_5 F1_5 1.330(4) . ?
C2_5 F3_5 1.331(3) . ?
C2_5 F2_5 1.339(3) . ?
C3_5 F5_5 1.324(3) . ?
C3_5 F4_5 1.332(3) . ?
C3_5 F6_5 1.346(3) . ?
C4_5 F9_5 1.329(3) . ?
C4_5 F7_5 1.332(3) . ?
C4_5 F8_5 1.333(3) . ?
O1_6 C1_6 1.354(8) . ?
C1_6 C4_6 1.546(9) . ?
C1_6 C2_6 1.560(8) . ?
C1_6 C3_6 1.566(8) . ?
C2_6 F1_6 1.306(9) . ?
C2_6 F3_6 1.322(9) . ?
C2_6 F2_6 1.340(9) . ?
C3_6 F5_6 1.328(8) . ?
C3_6 F6_6 1.336(9) . ?
C3_6 F4_6 1.343(8) . ?
C4_6 F9_6 1.321(8) . ?
C4_6 F7_6 1.328(7) . ?
C4_6 F8_6 1.345(10) . ?
C1_7 F1_7 1.349(4) . ?
C1_7 C2_7 1.366(6) . ?
C1_7 C6_7 1.370(7) . ?
C2_7 F2_7 1.341(4) . ?
C2_7 C3_7 1.364(5) . ?
C3_7 F3_7 1.345(4) . ?
C3_7 C4_7 1.372(6) . ?
C4_7 F4_7 1.337(5) . ?
C4_7 C5_7 1.363(7) . ?
C5_7 C6_7 1.397(7) . ?
C5_7 H5_7 0.9500 . ?
C6_7 H6_7 0.9500 . ?
O1_8 C1_8 1.368(10) . ?
C1_8 C2_8 1.542(10) . ?
C1_8 C3_8 1.552(11) . ?
C1_8 C4_8 1.555(11) . ?
C2_8 F3_8 1.325(10) . ?
C2_8 F1_8 1.331(8) . ?
C2_8 F2_8 1.349(9) . ?
C3_8 F5_8 1.330(8) . ?
C3_8 F6_8 1.329(13) . ?
C3_8 F4_8 1.334(12) . ?
C4_8 F8_8 1.328(8) . ?
C4_8 F7_8 1.342(9) . ?
C4_8 F9_8 1.407(10) . ?
O1_9 C1_9 1.358(16) . ?
C1_9 C2_9 1.549(14) . ?
C1_9 C3_9 1.555(14) . ?
C1_9 C4_9 1.555(15) . ?
C2_9 F3_9 1.306(13) . ?
C2_9 F2_9 1.315(14) . ?
C2_9 F1_9 1.320(13) . ?
C3_9 F5_9 1.324(13) . ?
C3_9 F4_9 1.325(13) . ?
C3_9 F6_9 1.344(15) . ?
C4_9 F9_9 1.307(13) . ?
C4_9 F7_9 1.326(13) . ?
C4_9 F8_9 1.342(14) . ?
O1_10 C1_10 1.357(18) . ?
C1_10 C4_10 1.545(15) . ?
C1_10 C2_10 1.546(15) . ?
C1_10 C3_10 1.553(15) . ?
C2_10 F3_10 1.325(16) . ?
C2_10 F1_10 1.339(15) . ?
C2_10 F2_10 1.342(13) . ?
C3_10 F5_10 1.323(13) . ?
C3_10 F4_10 1.326(17) . ?
C3_10 F6_10 1.330(15) . ?
C4_10 F9_10 1.323(16) . ?
C4_10 F8_10 1.330(13) . ?
C4_10 F7_10 1.343(14) . ?
Au1_11 C7_11 1.884(17) . ?
Au1_11 C1_11 2.394(16) . ?
Au1_11 C2_11 2.554(18) . ?
C1_11 C2_11 1.395(19) . ?
C1_11 C6_11 1.407(18) . ?
C1_11 H1_11 0.9500 . ?
C2_11 C3_11 1.35(2) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.36(2) . ?
C3_11 H3_11 0.9500 . ?
C4_11 C5_11 1.375(19) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.393(16) . ?
C5_11 H5_11 0.9500 . ?
C6_11 H6_11 0.9500 . ?
C7_11 O1_11 1.02(2) . ?
Au1_12 C7_12 1.911(9) . ?
Au1_12 C1_12 2.228(8) . ?
Au1_12 C2_12 2.312(7) . ?
C1_12 C2_12 1.408(10) . ?
C1_12 C6_12 1.419(11) . ?
C1_12 H1_12 0.9500 . ?
C2_12 C3_12 1.377(9) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.386(9) . ?
C3_12 H3_12 0.9500 . ?
C4_12 C5_12 1.372(9) . ?
C4_12 H4_12 0.9500 . ?
C5_12 C6_12 1.395(11) . ?
C5_12 H5_12 0.9500 . ?
C6_12 H6_12 0.9500 . ?
C7_12 O1_12 1.151(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1_6 Al1 O1_4 112.9(6) . . ?
O1_6 Al1 O1_5 113.1(5) . . ?
O1_4 Al1 O1_5 113.8(3) . . ?
O1_5 Al1 O1_9 112.1(10) . . ?
O1_6 Al1 F1 109.0(5) . . ?
O1_4 Al1 F1 101.1(3) . . ?
O1_5 Al1 F1 105.85(10) . . ?
O1_9 Al1 F1 103.7(11) . . ?
O1_5 Al1 O1_10 111.2(12) . . ?
O1_9 Al1 O1_10 124.5(14) . . ?
F1 Al1 O1_10 96.1(9) . . ?
O1_3 Al2 O1_1 107.4(3) . . ?
O1_3 Al2 O1_2 116.4(3) . . ?
O1_1 Al2 O1_2 112.40(13) . . ?
O1_3 Al2 F1 107.7(3) . . ?
O1_1 Al2 F1 106.67(14) . . ?
O1_2 Al2 F1 105.81(11) . . ?
O1_1 Al2 O1_8 121.8(3) . . ?
O1_2 Al2 O1_8 110.7(3) . . ?
F1 Al2 O1_8 97.0(3) . . ?
Al2 F1 Al1 173.53(13) . . ?
C1_1 O1_1 Al2 151.5(2) . . ?
O1_1 C1_1 C2_1 110.4(3) . . ?
O1_1 C1_1 C4_1 110.2(3) . . ?
C2_1 C1_1 C4_1 109.6(3) . . ?
O1_1 C1_1 C3_1 107.8(2) . . ?
C2_1 C1_1 C3_1 109.2(2) . . ?
C4_1 C1_1 C3_1 109.5(3) . . ?
F2_1 C2_1 F1_1 107.9(3) . . ?
F2_1 C2_1 F3_1 107.0(3) . . ?
F1_1 C2_1 F3_1 107.5(3) . . ?
F2_1 C2_1 C1_1 112.6(3) . . ?
F1_1 C2_1 C1_1 110.6(3) . . ?
F3_1 C2_1 C1_1 110.9(2) . . ?
F4_1 C3_1 F6_1 107.9(3) . . ?
F4_1 C3_1 F5_1 107.0(3) . . ?
F6_1 C3_1 F5_1 107.8(3) . . ?
F4_1 C3_1 C1_1 110.8(3) . . ?
F6_1 C3_1 C1_1 112.5(2) . . ?
F5_1 C3_1 C1_1 110.6(3) . . ?
F7_1 C4_1 F9_1 108.1(4) . . ?
F7_1 C4_1 F8_1 108.1(4) . . ?
F9_1 C4_1 F8_1 108.2(3) . . ?
F7_1 C4_1 C1_1 110.7(3) . . ?
F9_1 C4_1 C1_1 109.6(4) . . ?
F8_1 C4_1 C1_1 112.2(3) . . ?
C1_2 O1_2 Al2 147.5(2) . . ?
O1_2 C1_2 C4_2 110.9(2) . . ?
O1_2 C1_2 C3_2 106.5(2) . . ?
C4_2 C1_2 C3_2 109.7(2) . . ?
O1_2 C1_2 C2_2 111.1(2) . . ?
C4_2 C1_2 C2_2 109.2(3) . . ?
C3_2 C1_2 C2_2 109.3(2) . . ?
F3_2 C2_2 F2_2 107.8(3) . . ?
F3_2 C2_2 F1_2 107.2(3) . . ?
F2_2 C2_2 F1_2 107.6(3) . . ?
F3_2 C2_2 C1_2 110.6(3) . . ?
F2_2 C2_2 C1_2 112.6(2) . . ?
F1_2 C2_2 C1_2 110.8(2) . . ?
F4_2 C3_2 F5_2 108.1(3) . . ?
F4_2 C3_2 F6_2 106.9(3) . . ?
F5_2 C3_2 F6_2 107.2(3) . . ?
F4_2 C3_2 C1_2 111.0(2) . . ?
F5_2 C3_2 C1_2 110.9(3) . . ?
F6_2 C3_2 C1_2 112.5(2) . . ?
F9_2 C4_2 F8_2 108.7(3) . . ?
F9_2 C4_2 F7_2 107.5(3) . . ?
F8_2 C4_2 F7_2 107.7(3) . . ?
F9_2 C4_2 C1_2 109.9(3) . . ?
F8_2 C4_2 C1_2 112.4(3) . . ?
F7_2 C4_2 C1_2 110.4(3) . . ?
C1_3 O1_3 Al2 146.7(7) . . ?
O1_3 C1_3 C4_3 112.7(7) . . ?
O1_3 C1_3 C2_3 107.7(7) . . ?
C4_3 C1_3 C2_3 111.1(7) . . ?
O1_3 C1_3 C3_3 107.4(7) . . ?
C4_3 C1_3 C3_3 108.9(7) . . ?
C2_3 C1_3 C3_3 108.9(6) . . ?
F3_3 C2_3 F1_3 108.7(7) . . ?
F3_3 C2_3 F2_3 105.7(10) . . ?
F1_3 C2_3 F2_3 107.6(9) . . ?
F3_3 C2_3 C1_3 112.7(9) . . ?
F1_3 C2_3 C1_3 109.9(6) . . ?
F2_3 C2_3 C1_3 112.1(10) . . ?
F4_3 C3_3 F5_3 106.7(7) . . ?
F4_3 C3_3 F6_3 109.1(7) . . ?
F5_3 C3_3 F6_3 107.7(6) . . ?
F4_3 C3_3 C1_3 109.9(7) . . ?
F5_3 C3_3 C1_3 111.4(5) . . ?
F6_3 C3_3 C1_3 111.8(6) . . ?
F7_3 C4_3 F9_3 106.2(7) . . ?
F7_3 C4_3 F8_3 109.2(6) . . ?
F9_3 C4_3 F8_3 86.5(6) . . ?
F7_3 C4_3 C1_3 110.8(6) . . ?
F9_3 C4_3 C1_3 128.7(8) . . ?
F8_3 C4_3 C1_3 112.3(6) . . ?
C1_4 O1_4 Al1 150.1(7) . . ?
O1_4 C1_4 C4_4 108.3(5) . . ?
O1_4 C1_4 C3_4 110.5(5) . . ?
C4_4 C1_4 C3_4 109.5(3) . . ?
O1_4 C1_4 C2_4 110.6(5) . . ?
C4_4 C1_4 C2_4 109.1(3) . . ?
C3_4 C1_4 C2_4 108.8(4) . . ?
F3_4 C2_4 F1_4 108.1(4) . . ?
F3_4 C2_4 F2_4 109.0(4) . . ?
F1_4 C2_4 F2_4 107.6(4) . . ?
F3_4 C2_4 C1_4 109.6(4) . . ?
F1_4 C2_4 C1_4 110.9(3) . . ?
F2_4 C2_4 C1_4 111.5(4) . . ?
F4_4 C3_4 F5_4 107.1(4) . . ?
F4_4 C3_4 F6_4 107.7(5) . . ?
F5_4 C3_4 F6_4 107.8(4) . . ?
F4_4 C3_4 C1_4 110.5(4) . . ?
F5_4 C3_4 C1_4 111.3(3) . . ?
F6_4 C3_4 C1_4 112.3(3) . . ?
F9_4 C4_4 F8_4 108.4(6) . . ?
F9_4 C4_4 F7_4 106.5(5) . . ?
F8_4 C4_4 F7_4 107.4(4) . . ?
F9_4 C4_4 C1_4 111.0(5) . . ?
F8_4 C4_4 C1_4 113.0(4) . . ?
F7_4 C4_4 C1_4 110.3(3) . . ?
C1_5 O1_5 Al1 145.46(17) . . ?
O1_5 C1_5 C4_5 110.9(2) . . ?
O1_5 C1_5 C3_5 110.7(2) . . ?
C4_5 C1_5 C3_5 109.4(2) . . ?
O1_5 C1_5 C2_5 107.7(2) . . ?
C4_5 C1_5 C2_5 108.9(2) . . ?
C3_5 C1_5 C2_5 109.1(2) . . ?
F1_5 C2_5 F3_5 107.2(2) . . ?
F1_5 C2_5 F2_5 107.9(2) . . ?
F3_5 C2_5 F2_5 107.8(2) . . ?
F1_5 C2_5 C1_5 110.9(2) . . ?
F3_5 C2_5 C1_5 111.0(2) . . ?
F2_5 C2_5 C1_5 111.9(2) . . ?
F5_5 C3_5 F4_5 107.9(2) . . ?
F5_5 C3_5 F6_5 107.9(3) . . ?
F4_5 C3_5 F6_5 107.4(2) . . ?
F5_5 C3_5 C1_5 111.5(2) . . ?
F4_5 C3_5 C1_5 110.0(2) . . ?
F6_5 C3_5 C1_5 112.0(2) . . ?
F9_5 C4_5 F7_5 107.4(2) . . ?
F9_5 C4_5 F8_5 107.6(2) . . ?
F7_5 C4_5 F8_5 107.4(2) . . ?
F9_5 C4_5 C1_5 110.6(2) . . ?
F7_5 C4_5 C1_5 110.9(2) . . ?
F8_5 C4_5 C1_5 112.7(2) . . ?
C1_6 O1_6 Al1 154.7(11) . . ?
O1_6 C1_6 C4_6 112.0(8) . . ?
O1_6 C1_6 C2_6 108.8(8) . . ?
C4_6 C1_6 C2_6 110.0(6) . . ?
O1_6 C1_6 C3_6 108.2(8) . . ?
C4_6 C1_6 C3_6 109.4(6) . . ?
C2_6 C1_6 C3_6 108.5(6) . . ?
F1_6 C2_6 F3_6 108.6(6) . . ?
F1_6 C2_6 F2_6 106.7(7) . . ?
F3_6 C2_6 F2_6 107.1(7) . . ?
F1_6 C2_6 C1_6 111.1(6) . . ?
F3_6 C2_6 C1_6 111.3(6) . . ?
F2_6 C2_6 C1_6 111.9(7) . . ?
F5_6 C3_6 F6_6 111.4(8) . . ?
F5_6 C3_6 F4_6 107.3(6) . . ?
F6_6 C3_6 F4_6 108.3(7) . . ?
F5_6 C3_6 C1_6 109.9(6) . . ?
F6_6 C3_6 C1_6 110.7(7) . . ?
F4_6 C3_6 C1_6 109.1(5) . . ?
F9_6 C4_6 F7_6 107.8(6) . . ?
F9_6 C4_6 F8_6 108.7(8) . . ?
F7_6 C4_6 F8_6 106.7(8) . . ?
F9_6 C4_6 C1_6 111.2(6) . . ?
F7_6 C4_6 C1_6 110.0(5) . . ?
F8_6 C4_6 C1_6 112.3(9) . . ?
F1_7 C1_7 C2_7 116.8(4) . . ?
F1_7 C1_7 C6_7 121.6(4) . . ?
C2_7 C1_7 C6_7 121.5(4) . . ?
F2_7 C2_7 C3_7 118.6(4) . . ?
F2_7 C2_7 C1_7 122.1(4) . . ?
C3_7 C2_7 C1_7 119.3(3) . . ?
F3_7 C3_7 C2_7 120.3(4) . . ?
F3_7 C3_7 C4_7 119.5(4) . . ?
C2_7 C3_7 C4_7 120.1(3) . . ?
F4_7 C4_7 C5_7 120.5(4) . . ?
F4_7 C4_7 C3_7 118.4(4) . . ?
C5_7 C4_7 C3_7 121.1(4) . . ?
C4_7 C5_7 C6_7 119.0(4) . . ?
C4_7 C5_7 H5_7 120.5 . . ?
C6_7 C5_7 H5_7 120.5 . . ?
C1_7 C6_7 C5_7 118.9(4) . . ?
C1_7 C6_7 H6_7 120.5 . . ?
C5_7 C6_7 H6_7 120.5 . . ?
C1_8 O1_8 Al2 150.3(6) . . ?
O1_8 C1_8 C2_8 105.9(7) . . ?
O1_8 C1_8 C3_8 110.4(7) . . ?
C2_8 C1_8 C3_8 110.2(7) . . ?
O1_8 C1_8 C4_8 110.4(7) . . ?
C2_8 C1_8 C4_8 110.0(7) . . ?
C3_8 C1_8 C4_8 109.8(7) . . ?
F3_8 C2_8 F1_8 107.6(7) . . ?
F3_8 C2_8 F2_8 107.2(7) . . ?
F1_8 C2_8 F2_8 107.8(6) . . ?
F3_8 C2_8 C1_8 112.5(7) . . ?
F1_8 C2_8 C1_8 111.6(6) . . ?
F2_8 C2_8 C1_8 109.9(7) . . ?
F5_8 C3_8 F6_8 107.2(9) . . ?
F5_8 C3_8 F4_8 108.5(8) . . ?
F6_8 C3_8 F4_8 110.2(13) . . ?
F5_8 C3_8 C1_8 109.5(6) . . ?
F6_8 C3_8 C1_8 111.3(10) . . ?
F4_8 C3_8 C1_8 109.9(8) . . ?
F8_8 C4_8 F7_8 106.1(6) . . ?
F8_8 C4_8 F9_8 130.4(7) . . ?
F7_8 C4_8 F9_8 100.2(6) . . ?
F8_8 C4_8 C1_8 111.9(6) . . ?
F7_8 C4_8 C1_8 111.0(7) . . ?
F9_8 C4_8 C1_8 96.2(6) . . ?
C1_9 O1_9 Al1 151(2) . . ?
O1_9 C1_9 C2_9 110.3(17) . . ?
O1_9 C1_9 C3_9 108.8(16) . . ?
C2_9 C1_9 C3_9 110.5(11) . . ?
O1_9 C1_9 C4_9 105.5(15) . . ?
C2_9 C1_9 C4_9 111.0(11) . . ?
C3_9 C1_9 C4_9 110.5(11) . . ?
F3_9 C2_9 F2_9 107.8(11) . . ?
F3_9 C2_9 F1_9 108.3(11) . . ?
F2_9 C2_9 F1_9 103.0(12) . . ?
F3_9 C2_9 C1_9 112.8(10) . . ?
F2_9 C2_9 C1_9 113.4(12) . . ?
F1_9 C2_9 C1_9 110.9(10) . . ?
F5_9 C3_9 F4_9 107.3(11) . . ?
F5_9 C3_9 F6_9 110.4(15) . . ?
F4_9 C3_9 F6_9 107.0(16) . . ?
F5_9 C3_9 C1_9 110.3(10) . . ?
F4_9 C3_9 C1_9 110.8(10) . . ?
F6_9 C3_9 C1_9 111.0(16) . . ?
F9_9 C4_9 F7_9 110.1(12) . . ?
F9_9 C4_9 F8_9 110.2(13) . . ?
F7_9 C4_9 F8_9 106.4(10) . . ?
F9_9 C4_9 C1_9 110.9(11) . . ?
F7_9 C4_9 C1_9 110.2(11) . . ?
F8_9 C4_9 C1_9 108.9(13) . . ?
C1_10 O1_10 Al1 143(2) . . ?
O1_10 C1_10 C4_10 112.1(16) . . ?
O1_10 C1_10 C2_10 109.3(19) . . ?
C4_10 C1_10 C2_10 109.1(12) . . ?
O1_10 C1_10 C3_10 107.1(17) . . ?
C4_10 C1_10 C3_10 110.0(12) . . ?
C2_10 C1_10 C3_10 109.2(12) . . ?
F3_10 C2_10 F1_10 106.1(17) . . ?
F3_10 C2_10 F2_10 107.7(15) . . ?
F1_10 C2_10 F2_10 107.7(14) . . ?
F3_10 C2_10 C1_10 112.0(14) . . ?
F1_10 C2_10 C1_10 110.7(13) . . ?
F2_10 C2_10 C1_10 112.4(11) . . ?
F5_10 C3_10 F4_10 106.0(17) . . ?
F5_10 C3_10 F6_10 108.1(12) . . ?
F4_10 C3_10 F6_10 108.7(18) . . ?
F5_10 C3_10 C1_10 111.9(10) . . ?
F4_10 C3_10 C1_10 111.9(17) . . ?
F6_10 C3_10 C1_10 110.2(15) . . ?
F9_10 C4_10 F8_10 109.2(14) . . ?
F9_10 C4_10 F7_10 105.9(15) . . ?
F8_10 C4_10 F7_10 106.7(12) . . ?
F9_10 C4_10 C1_10 112.2(15) . . ?
F8_10 C4_10 C1_10 112.2(12) . . ?
F7_10 C4_10 C1_10 110.3(11) . . ?
C7_11 Au1_11 C1_11 165.4(15) . . ?
C7_11 Au1_11 C2_11 147.9(15) . . ?
C1_11 Au1_11 C2_11 32.5(5) . . ?
C2_11 C1_11 C6_11 121.5(14) . . ?
C2_11 C1_11 Au1_11 80.0(10) . . ?
C6_11 C1_11 Au1_11 93.5(9) . . ?
C2_11 C1_11 H1_11 119.3 . . ?
C6_11 C1_11 H1_11 119.3 . . ?
Au1_11 C1_11 H1_11 96.5 . . ?
C3_11 C2_11 C1_11 118.7(16) . . ?
C3_11 C2_11 Au1_11 99.6(12) . . ?
C1_11 C2_11 Au1_11 67.4(9) . . ?
C3_11 C2_11 H2_11 120.6 . . ?
C1_11 C2_11 H2_11 120.6 . . ?
Au1_11 C2_11 H2_11 102.3 . . ?
C2_11 C3_11 C4_11 120.9(16) . . ?
C2_11 C3_11 H3_11 119.6 . . ?
C4_11 C3_11 H3_11 119.6 . . ?
C3_11 C4_11 C5_11 121.7(14) . . ?
C3_11 C4_11 H4_11 119.2 . . ?
C5_11 C4_11 H4_11 119.2 . . ?
C4_11 C5_11 C6_11 119.6(12) . . ?
C4_11 C5_11 H5_11 120.2 . . ?
C6_11 C5_11 H5_11 120.2 . . ?
C5_11 C6_11 C1_11 117.6(11) . . ?
C5_11 C6_11 H6_11 121.2 . . ?
C1_11 C6_11 H6_11 121.2 . . ?
O1_11 C7_11 Au1_11 169(4) . . ?
C7_12 Au1_12 C1_12 161.5(6) . . ?
C7_12 Au1_12 C2_12 161.6(7) . . ?
C1_12 Au1_12 C2_12 36.1(3) . . ?
C2_12 C1_12 C6_12 118.6(6) . . ?
C2_12 C1_12 Au1_12 75.2(4) . . ?
C6_12 C1_12 Au1_12 96.7(6) . . ?
C2_12 C1_12 H1_12 120.7 . . ?
C6_12 C1_12 H1_12 120.7 . . ?
Au1_12 C1_12 H1_12 97.8 . . ?
C3_12 C2_12 C1_12 120.0(7) . . ?
C3_12 C2_12 Au1_12 101.0(4) . . ?
C1_12 C2_12 Au1_12 68.7(4) . . ?
C3_12 C2_12 H2_12 120.0 . . ?
C1_12 C2_12 H2_12 120.0 . . ?
Au1_12 C2_12 H2_12 100.0 . . ?
C2_12 C3_12 C4_12 120.7(7) . . ?
C2_12 C3_12 H3_12 119.7 . . ?
C4_12 C3_12 H3_12 119.7 . . ?
C5_12 C4_12 C3_12 120.8(7) . . ?
C5_12 C4_12 H4_12 119.6 . . ?
C3_12 C4_12 H4_12 119.6 . . ?
C4_12 C5_12 C6_12 119.8(7) . . ?
C4_12 C5_12 H5_12 120.1 . . ?
C6_12 C5_12 H5_12 120.1 . . ?
C5_12 C6_12 C1_12 120.0(6) . . ?
C5_12 C6_12 H6_12 120.0 . . ?
C1_12 C6_12 H6_12 120.0 . . ?
O1_12 C7_12 Au1_12 171(2) . . ?

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_3 Al2 O1_1 C1_1 21.3(7) . . . . ?
O1_2 Al2 O1_1 C1_1 150.6(6) . . . . ?
F1 Al2 O1_1 C1_1 -93.9(6) . . . . ?
O1_8 Al2 O1_1 C1_1 15.6(7) . . . . ?
Al2 O1_1 C1_1 C2_1 -65.5(7) . . . . ?
Al2 O1_1 C1_1 C4_1 55.7(7) . . . . ?
Al2 O1_1 C1_1 C3_1 175.2(5) . . . . ?
O1_1 C1_1 C2_1 F2_1 -160.7(3) . . . . ?
C4_1 C1_1 C2_1 F2_1 77.7(4) . . . . ?
C3_1 C1_1 C2_1 F2_1 -42.3(3) . . . . ?
O1_1 C1_1 C2_1 F1_1 78.5(3) . . . . ?
C4_1 C1_1 C2_1 F1_1 -43.2(4) . . . . ?
C3_1 C1_1 C2_1 F1_1 -163.1(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 -40.8(3) . . . . ?
C4_1 C1_1 C2_1 F3_1 -162.4(3) . . . . ?
C3_1 C1_1 C2_1 F3_1 77.6(3) . . . . ?
O1_1 C1_1 C3_1 F4_1 -41.8(4) . . . . ?
C2_1 C1_1 C3_1 F4_1 -161.8(3) . . . . ?
C4_1 C1_1 C3_1 F4_1 78.2(3) . . . . ?
O1_1 C1_1 C3_1 F6_1 -162.6(3) . . . . ?
C2_1 C1_1 C3_1 F6_1 77.4(3) . . . . ?
C4_1 C1_1 C3_1 F6_1 -42.7(4) . . . . ?
O1_1 C1_1 C3_1 F5_1 76.7(3) . . . . ?
C2_1 C1_1 C3_1 F5_1 -43.3(3) . . . . ?
C4_1 C1_1 C3_1 F5_1 -163.3(3) . . . . ?
O1_1 C1_1 C4_1 F7_1 74.6(5) . . . . ?
C2_1 C1_1 C4_1 F7_1 -163.6(3) . . . . ?
C3_1 C1_1 C4_1 F7_1 -43.8(4) . . . . ?
O1_1 C1_1 C4_1 F9_1 -44.5(4) . . . . ?
C2_1 C1_1 C4_1 F9_1 77.3(4) . . . . ?
C3_1 C1_1 C4_1 F9_1 -162.9(3) . . . . ?
O1_1 C1_1 C4_1 F8_1 -164.6(4) . . . . ?
C2_1 C1_1 C4_1 F8_1 -42.9(5) . . . . ?
C3_1 C1_1 C4_1 F8_1 76.9(4) . . . . ?
O1_3 Al2 O1_2 C1_2 126.5(5) . . . . ?
O1_1 Al2 O1_2 C1_2 2.1(5) . . . . ?
F1 Al2 O1_2 C1_2 -113.9(4) . . . . ?
O1_8 Al2 O1_2 C1_2 142.1(5) . . . . ?
Al2 O1_2 C1_2 C4_2 70.2(5) . . . . ?
Al2 O1_2 C1_2 C3_2 -170.4(4) . . . . ?
Al2 O1_2 C1_2 C2_2 -51.5(5) . . . . ?
O1_2 C1_2 C2_2 F3_2 -40.9(4) . . . . ?
C4_2 C1_2 C2_2 F3_2 -163.5(3) . . . . ?
C3_2 C1_2 C2_2 F3_2 76.4(3) . . . . ?
O1_2 C1_2 C2_2 F2_2 -161.6(3) . . . . ?
C4_2 C1_2 C2_2 F2_2 75.8(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 -44.3(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 77.9(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 -44.8(3) . . . . ?
C3_2 C1_2 C2_2 F1_2 -164.8(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 -44.8(3) . . . . ?
C4_2 C1_2 C3_2 F4_2 75.4(3) . . . . ?
C2_2 C1_2 C3_2 F4_2 -164.8(3) . . . . ?
O1_2 C1_2 C3_2 F5_2 75.4(3) . . . . ?
C4_2 C1_2 C3_2 F5_2 -164.4(3) . . . . ?
C2_2 C1_2 C3_2 F5_2 -44.7(3) . . . . ?
O1_2 C1_2 C3_2 F6_2 -164.5(3) . . . . ?
C4_2 C1_2 C3_2 F6_2 -44.4(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 75.4(3) . . . . ?
O1_2 C1_2 C4_2 F9_2 -44.3(4) . . . . ?
C3_2 C1_2 C4_2 F9_2 -161.8(3) . . . . ?
C2_2 C1_2 C4_2 F9_2 78.4(3) . . . . ?
O1_2 C1_2 C4_2 F8_2 -165.6(3) . . . . ?
C3_2 C1_2 C4_2 F8_2 77.0(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 -42.8(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 74.1(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 -43.3(3) . . . . ?
C2_2 C1_2 C4_2 F7_2 -163.1(3) . . . . ?
O1_1 Al2 O1_3 C1_3 153.3(11) . . . . ?
O1_2 Al2 O1_3 C1_3 26.4(13) . . . . ?
F1 Al2 O1_3 C1_3 -92.2(12) . . . . ?
Al2 O1_3 C1_3 C4_3 42.6(15) . . . . ?
Al2 O1_3 C1_3 C2_3 -80.3(13) . . . . ?
Al2 O1_3 C1_3 C3_3 162.6(10) . . . . ?
O1_3 C1_3 C2_3 F3_3 -41.5(10) . . . . ?
C4_3 C1_3 C2_3 F3_3 -165.4(8) . . . . ?
C3_3 C1_3 C2_3 F3_3 74.7(9) . . . . ?
O1_3 C1_3 C2_3 F1_3 79.9(8) . . . . ?
C4_3 C1_3 C2_3 F1_3 -44.0(9) . . . . ?
C3_3 C1_3 C2_3 F1_3 -164.0(5) . . . . ?
O1_3 C1_3 C2_3 F2_3 -160.5(10) . . . . ?
C4_3 C1_3 C2_3 F2_3 75.5(11) . . . . ?
C3_3 C1_3 C2_3 F2_3 -44.4(11) . . . . ?
O1_3 C1_3 C3_3 F4_3 -45.7(9) . . . . ?
C4_3 C1_3 C3_3 F4_3 76.6(9) . . . . ?
C2_3 C1_3 C3_3 F4_3 -162.1(7) . . . . ?
O1_3 C1_3 C3_3 F5_3 72.4(7) . . . . ?
C4_3 C1_3 C3_3 F5_3 -165.3(6) . . . . ?
C2_3 C1_3 C3_3 F5_3 -44.0(8) . . . . ?
O1_3 C1_3 C3_3 F6_3 -167.1(7) . . . . ?
C4_3 C1_3 C3_3 F6_3 -44.7(9) . . . . ?
C2_3 C1_3 C3_3 F6_3 76.5(8) . . . . ?
O1_3 C1_3 C4_3 F7_3 74.6(10) . . . . ?
C2_3 C1_3 C4_3 F7_3 -164.4(7) . . . . ?
C3_3 C1_3 C4_3 F7_3 -44.5(9) . . . . ?
O1_3 C1_3 C4_3 F9_3 -58.8(12) . . . . ?
C2_3 C1_3 C4_3 F9_3 62.2(11) . . . . ?
C3_3 C1_3 C4_3 F9_3 -177.9(8) . . . . ?
O1_3 C1_3 C4_3 F8_3 -163.0(7) . . . . ?
C2_3 C1_3 C4_3 F8_3 -42.0(9) . . . . ?
C3_3 C1_3 C4_3 F8_3 77.9(8) . . . . ?
O1_6 Al1 O1_4 C1_4 -106.4(13) . . . . ?
O1_5 Al1 O1_4 C1_4 24.3(13) . . . . ?
F1 Al1 O1_4 C1_4 137.4(12) . . . . ?
Al1 O1_4 C1_4 C4_4 145.4(11) . . . . ?
Al1 O1_4 C1_4 C3_4 25.4(14) . . . . ?
Al1 O1_4 C1_4 C2_4 -95.1(12) . . . . ?
O1_4 C1_4 C2_4 F3_4 43.9(6) . . . . ?
C4_4 C1_4 C2_4 F3_4 163.0(4) . . . . ?
C3_4 C1_4 C2_4 F3_4 -77.6(5) . . . . ?
O1_4 C1_4 C2_4 F1_4 -75.3(6) . . . . ?
C4_4 C1_4 C2_4 F1_4 43.7(5) . . . . ?
C3_4 C1_4 C2_4 F1_4 163.2(4) . . . . ?
O1_4 C1_4 C2_4 F2_4 164.8(5) . . . . ?
C4_4 C1_4 C2_4 F2_4 -76.2(4) . . . . ?
C3_4 C1_4 C2_4 F2_4 43.2(5) . . . . ?
O1_4 C1_4 C3_4 F4_4 40.2(7) . . . . ?
C4_4 C1_4 C3_4 F4_4 -79.1(5) . . . . ?
C2_4 C1_4 C3_4 F4_4 161.8(5) . . . . ?
O1_4 C1_4 C3_4 F5_4 -78.6(6) . . . . ?
C4_4 C1_4 C3_4 F5_4 162.1(4) . . . . ?
C2_4 C1_4 C3_4 F5_4 43.0(5) . . . . ?
O1_4 C1_4 C3_4 F6_4 160.4(5) . . . . ?
C4_4 C1_4 C3_4 F6_4 41.2(5) . . . . ?
C2_4 C1_4 C3_4 F6_4 -77.9(5) . . . . ?
O1_4 C1_4 C4_4 F9_4 42.5(7) . . . . ?
C3_4 C1_4 C4_4 F9_4 163.1(5) . . . . ?
C2_4 C1_4 C4_4 F9_4 -77.9(6) . . . . ?
O1_4 C1_4 C4_4 F8_4 164.5(5) . . . . ?
C3_4 C1_4 C4_4 F8_4 -74.9(5) . . . . ?
C2_4 C1_4 C4_4 F8_4 44.1(5) . . . . ?
O1_4 C1_4 C4_4 F7_4 -75.3(5) . . . . ?
C3_4 C1_4 C4_4 F7_4 45.3(5) . . . . ?
C2_4 C1_4 C4_4 F7_4 164.3(4) . . . . ?
O1_6 Al1 O1_5 C1_5 -15.7(7) . . . . ?
O1_4 Al1 O1_5 C1_5 -146.3(4) . . . . ?
O1_9 Al1 O1_5 C1_5 -8.8(12) . . . . ?
F1 Al1 O1_5 C1_5 103.6(3) . . . . ?
O1_10 Al1 O1_5 C1_5 -153.2(10) . . . . ?
Al1 O1_5 C1_5 C4_5 57.6(4) . . . . ?
Al1 O1_5 C1_5 C3_5 -64.1(4) . . . . ?
Al1 O1_5 C1_5 C2_5 176.7(3) . . . . ?
O1_5 C1_5 C2_5 F1_5 -73.8(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 46.6(3) . . . . ?
C3_5 C1_5 C2_5 F1_5 165.9(2) . . . . ?
O1_5 C1_5 C2_5 F3_5 45.2(3) . . . . ?
C4_5 C1_5 C2_5 F3_5 165.5(2) . . . . ?
C3_5 C1_5 C2_5 F3_5 -75.1(3) . . . . ?
O1_5 C1_5 C2_5 F2_5 165.6(2) . . . . ?
C4_5 C1_5 C2_5 F2_5 -74.0(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 45.4(3) . . . . ?
O1_5 C1_5 C3_5 F5_5 -75.3(3) . . . . ?
C4_5 C1_5 C3_5 F5_5 162.1(2) . . . . ?
C2_5 C1_5 C3_5 F5_5 43.1(3) . . . . ?
O1_5 C1_5 C3_5 F4_5 44.3(3) . . . . ?
C4_5 C1_5 C3_5 F4_5 -78.3(3) . . . . ?
C2_5 C1_5 C3_5 F4_5 162.7(2) . . . . ?
O1_5 C1_5 C3_5 F6_5 163.7(2) . . . . ?
C4_5 C1_5 C3_5 F6_5 41.1(3) . . . . ?
C2_5 C1_5 C3_5 F6_5 -77.9(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 41.2(3) . . . . ?
C3_5 C1_5 C4_5 F9_5 163.7(2) . . . . ?
C2_5 C1_5 C4_5 F9_5 -77.1(3) . . . . ?
O1_5 C1_5 C4_5 F7_5 -77.8(3) . . . . ?
C3_5 C1_5 C4_5 F7_5 44.7(3) . . . . ?
C2_5 C1_5 C4_5 F7_5 163.9(2) . . . . ?
O1_5 C1_5 C4_5 F8_5 161.7(2) . . . . ?
C3_5 C1_5 C4_5 F8_5 -75.8(3) . . . . ?
C2_5 C1_5 C4_5 F8_5 43.4(3) . . . . ?
O1_4 Al1 O1_6 C1_6 -45(3) . . . . ?
O1_5 Al1 O1_6 C1_6 -176(2) . . . . ?
F1 Al1 O1_6 C1_6 66(3) . . . . ?
Al1 O1_6 C1_6 C4_6 -21(3) . . . . ?
Al1 O1_6 C1_6 C2_6 -143(2) . . . . ?
Al1 O1_6 C1_6 C3_6 100(3) . . . . ?
O1_6 C1_6 C2_6 F1_6 47.2(10) . . . . ?
C4_6 C1_6 C2_6 F1_6 -75.7(8) . . . . ?
C3_6 C1_6 C2_6 F1_6 164.7(6) . . . . ?
O1_6 C1_6 C2_6 F3_6 -73.9(10) . . . . ?
C4_6 C1_6 C2_6 F3_6 163.2(6) . . . . ?
C3_6 C1_6 C2_6 F3_6 43.6(8) . . . . ?
O1_6 C1_6 C2_6 F2_6 166.3(10) . . . . ?
C4_6 C1_6 C2_6 F2_6 43.4(10) . . . . ?
C3_6 C1_6 C2_6 F2_6 -76.2(9) . . . . ?
O1_6 C1_6 C3_6 F5_6 40.9(10) . . . . ?
C4_6 C1_6 C3_6 F5_6 163.0(7) . . . . ?
C2_6 C1_6 C3_6 F5_6 -77.0(8) . . . . ?
O1_6 C1_6 C3_6 F6_6 164.4(9) . . . . ?
C4_6 C1_6 C3_6 F6_6 -73.5(9) . . . . ?
C2_6 C1_6 C3_6 F6_6 46.5(9) . . . . ?
O1_6 C1_6 C3_6 F4_6 -76.6(9) . . . . ?
C4_6 C1_6 C3_6 F4_6 45.6(8) . . . . ?
C2_6 C1_6 C3_6 F4_6 165.6(6) . . . . ?
O1_6 C1_6 C4_6 F9_6 -77.6(9) . . . . ?
C2_6 C1_6 C4_6 F9_6 43.5(8) . . . . ?
C3_6 C1_6 C4_6 F9_6 162.5(6) . . . . ?
O1_6 C1_6 C4_6 F7_6 41.7(10) . . . . ?
C2_6 C1_6 C4_6 F7_6 162.8(6) . . . . ?
C3_6 C1_6 C4_6 F7_6 -78.2(7) . . . . ?
O1_6 C1_6 C4_6 F8_6 160.4(10) . . . . ?
C2_6 C1_6 C4_6 F8_6 -78.5(9) . . . . ?
C3_6 C1_6 C4_6 F8_6 40.5(10) . . . . ?
F1_7 C1_7 C2_7 F2_7 1.0(5) . . . . ?
C6_7 C1_7 C2_7 F2_7 -178.5(4) . . . . ?
F1_7 C1_7 C2_7 C3_7 179.6(3) . . . . ?
C6_7 C1_7 C2_7 C3_7 0.2(6) . . . . ?
F2_7 C2_7 C3_7 F3_7 -1.5(5) . . . . ?
C1_7 C2_7 C3_7 F3_7 179.8(3) . . . . ?
F2_7 C2_7 C3_7 C4_7 177.6(3) . . . . ?
C1_7 C2_7 C3_7 C4_7 -1.1(5) . . . . ?
F3_7 C3_7 C4_7 F4_7 1.1(5) . . . . ?
C2_7 C3_7 C4_7 F4_7 -178.0(3) . . . . ?
F3_7 C3_7 C4_7 C5_7 -179.8(4) . . . . ?
C2_7 C3_7 C4_7 C5_7 1.1(5) . . . . ?
F4_7 C4_7 C5_7 C6_7 178.9(4) . . . . ?
C3_7 C4_7 C5_7 C6_7 -0.2(6) . . . . ?
F1_7 C1_7 C6_7 C5_7 -178.7(4) . . . . ?
C2_7 C1_7 C6_7 C5_7 0.8(6) . . . . ?
C4_7 C5_7 C6_7 C1_7 -0.8(6) . . . . ?
O1_1 Al2 O1_8 C1_8 106.3(14) . . . . ?
O1_2 Al2 O1_8 C1_8 -29.3(15) . . . . ?
F1 Al2 O1_8 C1_8 -139.2(14) . . . . ?
Al2 O1_8 C1_8 C2_8 171.6(11) . . . . ?
Al2 O1_8 C1_8 C3_8 -69.0(15) . . . . ?
Al2 O1_8 C1_8 C4_8 52.6(17) . . . . ?
O1_8 C1_8 C2_8 F3_8 44.3(10) . . . . ?
C3_8 C1_8 C2_8 F3_8 -75.2(9) . . . . ?
C4_8 C1_8 C2_8 F3_8 163.6(8) . . . . ?
O1_8 C1_8 C2_8 F1_8 -76.8(8) . . . . ?
C3_8 C1_8 C2_8 F1_8 163.8(6) . . . . ?
C4_8 C1_8 C2_8 F1_8 42.6(9) . . . . ?
O1_8 C1_8 C2_8 F2_8 163.6(7) . . . . ?
C3_8 C1_8 C2_8 F2_8 44.2(9) . . . . ?
C4_8 C1_8 C2_8 F2_8 -77.0(8) . . . . ?
O1_8 C1_8 C3_8 F5_8 -75.7(8) . . . . ?
C2_8 C1_8 C3_8 F5_8 41.0(8) . . . . ?
C4_8 C1_8 C3_8 F5_8 162.3(6) . . . . ?
O1_8 C1_8 C3_8 F6_8 165.9(12) . . . . ?
C2_8 C1_8 C3_8 F6_8 -77.4(13) . . . . ?
C4_8 C1_8 C3_8 F6_8 43.9(13) . . . . ?
O1_8 C1_8 C3_8 F4_8 43.5(12) . . . . ?
C2_8 C1_8 C3_8 F4_8 160.2(10) . . . . ?
C4_8 C1_8 C3_8 F4_8 -78.5(11) . . . . ?
O1_8 C1_8 C4_8 F8_8 162.7(7) . . . . ?
C2_8 C1_8 C4_8 F8_8 46.1(9) . . . . ?
C3_8 C1_8 C4_8 F8_8 -75.3(9) . . . . ?
O1_8 C1_8 C4_8 F7_8 -79.0(8) . . . . ?
C2_8 C1_8 C4_8 F7_8 164.5(6) . . . . ?
C3_8 C1_8 C4_8 F7_8 43.0(8) . . . . ?
O1_8 C1_8 C4_8 F9_8 24.5(9) . . . . ?
C2_8 C1_8 C4_8 F9_8 -92.1(8) . . . . ?
C3_8 C1_8 C4_8 F9_8 146.5(7) . . . . ?
O1_5 Al1 O1_9 C1_9 -148(5) . . . . ?
F1 Al1 O1_9 C1_9 98(5) . . . . ?
O1_10 Al1 O1_9 C1_9 -9(6) . . . . ?
Al1 O1_9 C1_9 C2_9 86(5) . . . . ?
Al1 O1_9 C1_9 C3_9 -35(5) . . . . ?
Al1 O1_9 C1_9 C4_9 -154(4) . . . . ?
O1_9 C1_9 C2_9 F3_9 -44.9(19) . . . . ?
C3_9 C1_9 C2_9 F3_9 75.5(15) . . . . ?
C4_9 C1_9 C2_9 F3_9 -161.5(12) . . . . ?
O1_9 C1_9 C2_9 F2_9 -167.8(17) . . . . ?
C3_9 C1_9 C2_9 F2_9 -47.4(17) . . . . ?
C4_9 C1_9 C2_9 F2_9 75.6(16) . . . . ?
O1_9 C1_9 C2_9 F1_9 76.8(17) . . . . ?
C3_9 C1_9 C2_9 F1_9 -162.8(11) . . . . ?
C4_9 C1_9 C2_9 F1_9 -39.8(15) . . . . ?
O1_9 C1_9 C3_9 F5_9 79.7(18) . . . . ?
C2_9 C1_9 C3_9 F5_9 -41.5(15) . . . . ?
C4_9 C1_9 C3_9 F5_9 -164.8(11) . . . . ?
O1_9 C1_9 C3_9 F4_9 -38.9(19) . . . . ?
C2_9 C1_9 C3_9 F4_9 -160.1(12) . . . . ?
C4_9 C1_9 C3_9 F4_9 76.6(15) . . . . ?
O1_9 C1_9 C3_9 F6_9 -158(2) . . . . ?
C2_9 C1_9 C3_9 F6_9 81.2(19) . . . . ?
C4_9 C1_9 C3_9 F6_9 -42(2) . . . . ?
O1_9 C1_9 C4_9 F9_9 -45.7(19) . . . . ?
C2_9 C1_9 C4_9 F9_9 73.8(15) . . . . ?
C3_9 C1_9 C4_9 F9_9 -163.2(12) . . . . ?
O1_9 C1_9 C4_9 F7_9 76.5(19) . . . . ?
C2_9 C1_9 C4_9 F7_9 -164.0(11) . . . . ?
C3_9 C1_9 C4_9 F7_9 -41.0(15) . . . . ?
O1_9 C1_9 C4_9 F8_9 -167.1(18) . . . . ?
C2_9 C1_9 C4_9 F8_9 -47.6(15) . . . . ?
C3_9 C1_9 C4_9 F8_9 75.4(14) . . . . ?
O1_5 Al1 O1_10 C1_10 53(4) . . . . ?
O1_9 Al1 O1_10 C1_10 -86(4) . . . . ?
F1 Al1 O1_10 C1_10 162(4) . . . . ?
Al1 O1_10 C1_10 C4_10 45(5) . . . . ?
Al1 O1_10 C1_10 C2_10 -76(4) . . . . ?
Al1 O1_10 C1_10 C3_10 166(3) . . . . ?
O1_10 C1_10 C2_10 F3_10 -40(2) . . . . ?
C4_10 C1_10 C2_10 F3_10 -163.2(18) . . . . ?
C3_10 C1_10 C2_10 F3_10 77(2) . . . . ?
O1_10 C1_10 C2_10 F1_10 78(2) . . . . ?
C4_10 C1_10 C2_10 F1_10 -45.1(18) . . . . ?
C3_10 C1_10 C2_10 F1_10 -165.3(14) . . . . ?
O1_10 C1_10 C2_10 F2_10 -161.7(18) . . . . ?
C4_10 C1_10 C2_10 F2_10 75.4(16) . . . . ?
C3_10 C1_10 C2_10 F2_10 -44.8(16) . . . . ?
O1_10 C1_10 C3_10 F5_10 72.1(19) . . . . ?
C4_10 C1_10 C3_10 F5_10 -165.9(12) . . . . ?
C2_10 C1_10 C3_10 F5_10 -46.2(16) . . . . ?
O1_10 C1_10 C3_10 F4_10 -47(2) . . . . ?
C4_10 C1_10 C3_10 F4_10 75(2) . . . . ?
C2_10 C1_10 C3_10 F4_10 -164.9(19) . . . . ?
O1_10 C1_10 C3_10 F6_10 -167.6(19) . . . . ?
C4_10 C1_10 C3_10 F6_10 -45.6(17) . . . . ?
C2_10 C1_10 C3_10 F6_10 74.1(16) . . . . ?
O1_10 C1_10 C4_10 F9_10 -40(2) . . . . ?
C2_10 C1_10 C4_10 F9_10 80.9(18) . . . . ?
C3_10 C1_10 C4_10 F9_10 -159.3(16) . . . . ?
O1_10 C1_10 C4_10 F8_10 -164(2) . . . . ?
C2_10 C1_10 C4_10 F8_10 -42.4(16) . . . . ?
C3_10 C1_10 C4_10 F8_10 77.3(15) . . . . ?
O1_10 C1_10 C4_10 F7_10 78(2) . . . . ?
C2_10 C1_10 C4_10 F7_10 -161.2(12) . . . . ?
C3_10 C1_10 C4_10 F7_10 -41.5(16) . . . . ?
C6_11 C1_11 C2_11 C3_11 -1(2) . . . . ?
Au1_11 C1_11 C2_11 C3_11 -88.7(15) . . . . ?
C6_11 C1_11 C2_11 Au1_11 88.1(13) . . . . ?
C1_11 C2_11 C3_11 C4_11 -2(3) . . . . ?
Au1_11 C2_11 C3_11 C4_11 -71.0(17) . . . . ?
C2_11 C3_11 C4_11 C5_11 3(3) . . . . ?
C3_11 C4_11 C5_11 C6_11 -2(2) . . . . ?
C4_11 C5_11 C6_11 C1_11 0.1(19) . . . . ?
C2_11 C1_11 C6_11 C5_11 1(2) . . . . ?
Au1_11 C1_11 C6_11 C5_11 81.9(11) . . . . ?
C1_11 Au1_11 C7_11 O1_11 -121(18) . . . . ?
C2_11 Au1_11 C7_11 O1_11 159(16) . . . . ?
C6_12 C1_12 C2_12 C3_12 -1.0(11) . . . . ?
Au1_12 C1_12 C2_12 C3_12 -90.6(6) . . . . ?
C6_12 C1_12 C2_12 Au1_12 89.6(7) . . . . ?
C1_12 C2_12 C3_12 C4_12 -0.6(10) . . . . ?
Au1_12 C2_12 C3_12 C4_12 -72.2(7) . . . . ?
C2_12 C3_12 C4_12 C5_12 1.1(11) . . . . ?
C3_12 C4_12 C5_12 C6_12 0.0(12) . . . . ?
C4_12 C5_12 C6_12 C1_12 -1.7(14) . . . . ?
C2_12 C1_12 C6_12 C5_12 2.1(12) . . . . ?
Au1_12 C1_12 C6_12 C5_12 78.9(9) . . . . ?

