# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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data_jcm02621a_a
_database_code_depnum_ccdc_archive 'CCDC 2078523'
loop_
_audit_author_name
_audit_author_address
'Jesus Campos'
;CSIC
Spain
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C128 H170 Ag2 Au2 F24 O2 P2 Sb4'
_chemical_formula_weight         3355.24

_vrf_PLAT220_jcm02621a_a         
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.7 Ratio 
RESPONSE: This normal effect is due to the high libration of terminal methyl 
groups in the six tert-butyl groups present in the ligand.
;


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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 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, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   23.1321(5)
_cell_length_b                   13.8142(3)
_cell_length_c                   23.2907(6)
_cell_angle_alpha                90
_cell_angle_beta                 112.7110(10)
_cell_angle_gamma                90
_cell_volume                     6865.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9815
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.31

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_F_000             3308
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    3.283
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5214
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   .
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus Source'
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean .
_diffrn_reflns_number            61002
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.896
_diffrn_reflns_theta_max         28.284
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16995
_reflns_number_gt                14199
_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 APEX3'
_computing_cell_refinement       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0638P)²+17.8824P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16995
_refine_ls_number_parameters     765
_refine_ls_number_restraints     41
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_ref         0.1261
_refine_ls_wR_factor_gt          0.1192
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.45380(3) 0.64907(4) 0.66073(2) 0.06697(15) Uani 1 1 d . . . . .
Au1 Au 0.26612(2) 0.93182(2) 0.48057(2) 0.03640(6) Uani 1 1 d . . . . .
C1 C 0.20304(19) 0.7483(3) 0.53942(17) 0.0255(8) Uani 1 1 d . . . . .
C2 C 0.1523(2) 0.7267(3) 0.55509(18) 0.0277(8) Uani 1 1 d . . . . .
H2 H 0.1128 0.7550 0.5313 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1567(2) 0.6654(3) 0.60407(19) 0.0314(9) Uani 1 1 d . . . . .
C4 C 0.2163(2) 0.6272(4) 0.6385(2) 0.0397(10) Uani 1 1 d . . . . .
H4 H 0.2215 0.5849 0.6723 0.048 Uiso 1 1 calc R U . . .
C5 C 0.2672(2) 0.6498(4) 0.6244(2) 0.0393(10) Uani 1 1 d . . . . .
H5 H 0.3071 0.6245 0.6498 0.047 Uiso 1 1 calc R U . . .
C6 C 0.2623(2) 0.7086(3) 0.57382(19) 0.0303(8) Uani 1 1 d . . . . .
C7 C 0.3189(2) 0.7241(3) 0.5596(2) 0.0336(9) Uani 1 1 d . . . . .
C8 C 0.3239(2) 0.6853(4) 0.5060(2) 0.0395(10) Uani 1 1 d . . . . .
H8 H 0.2903 0.6480 0.4781 0.047 Uiso 1 1 calc R U . . .
C9 C 0.3770(2) 0.7003(4) 0.4928(2) 0.0446(12) Uani 1 1 d . . . . .
H9 H 0.3784 0.6735 0.4558 0.054 Uiso 1 1 calc R U . . .
C10 C 0.4281(2) 0.7533(4) 0.5324(3) 0.0484(13) Uani 1 1 d . . . . .
C11 C 0.4233(2) 0.7916(4) 0.5858(2) 0.0436(11) Uani 1 1 d . . . . .
H11 H 0.4573 0.8281 0.6139 0.052 Uiso 1 1 calc R U . . .
C12 C 0.3701(2) 0.7780(4) 0.5994(2) 0.0392(10) Uani 1 1 d . . . . .
H12 H 0.3685 0.8055 0.6362 0.047 Uiso 1 1 calc R U . . .
C13 C 0.0985(2) 0.6382(4) 0.6164(2) 0.0407(11) Uani 1 1 d . . . . .
C14 C 0.0657(4) 0.5552(6) 0.5721(4) 0.083(3) Uani 1 1 d . . . . .
H14A H 0.0623 0.5713 0.5299 0.125 Uiso 1 1 calc R U . . .
H14B H 0.0238 0.5457 0.5721 0.125 Uiso 1 1 calc R U . . .
H14C H 0.0902 0.4957 0.5859 0.125 Uiso 1 1 calc R U . . .
C15 C 0.0520(3) 0.7225(6) 0.6016(4) 0.072(2) Uani 1 1 d . . . . .
H15A H 0.0741 0.7815 0.6219 0.108 Uiso 1 1 calc R U . . .
H15B H 0.0192 0.7075 0.6170 0.108 Uiso 1 1 calc R U . . .
H15C H 0.0331 0.7325 0.5565 0.108 Uiso 1 1 calc R U . . .
C16 C 0.1155(4) 0.6081(9) 0.6835(3) 0.101(3) Uani 1 1 d . . . . .
H16A H 0.1404 0.5485 0.6918 0.152 Uiso 1 1 calc R U . . .
H16B H 0.0771 0.5967 0.6908 0.152 Uiso 1 1 calc R U . . .
H16C H 0.1399 0.6596 0.7112 0.152 Uiso 1 1 calc R U . . .
C17 C 0.4847(3) 0.7705(5) 0.5149(3) 0.0596(16) Uani 1 1 d . . . . .
C18 C 0.5379(4) 0.8187(11) 0.5657(5) 0.136(5) Uani 1 1 d . . . . .
H18A H 0.5254 0.8841 0.5725 0.204 Uiso 1 1 calc R U . . .
H18B H 0.5741 0.8226 0.5538 0.204 Uiso 1 1 calc R U . . .
H18C H 0.5492 0.7810 0.6042 0.204 Uiso 1 1 calc R U . . .
C19 C 0.4642(5) 0.8319(9) 0.4566(5) 0.120(4) Uani 1 1 d . . . . .
H19A H 0.4517 0.8961 0.4655 0.180 Uiso 1 1 calc R U . . .
H19B H 0.4287 0.8008 0.4237 0.180 Uiso 1 1 calc R U . . .
H19C H 0.4991 0.8384 0.4429 0.180 Uiso 1 1 calc R U . . .
C20 C 0.5083(4) 0.6731(8) 0.4997(5) 0.103(3) Uani 1 1 d . . . . .
H20A H 0.5492 0.6826 0.4971 0.154 Uiso 1 1 calc R U . . .
H20B H 0.4784 0.6488 0.4598 0.154 Uiso 1 1 calc R U . . .
H20C H 0.5124 0.6262 0.5326 0.154 Uiso 1 1 calc R U . . .
C21 C 0.18053(17) 0.7305(3) 0.41053(17) 0.0232(7) Uani 1 1 d . . . . .
C22 C 0.15974(18) 0.6374(3) 0.41839(18) 0.0259(8) Uani 1 1 d . . . . .
H22 H 0.1471 0.6266 0.4521 0.031 Uiso 1 1 calc R U . . .
C23 C 0.1571(2) 0.5612(3) 0.37888(19) 0.0274(8) Uani 1 1 d . . . . .
C24 C 0.1785(2) 0.5795(3) 0.3312(2) 0.0323(9) Uani 1 1 d . . . . .
H24 H 0.1785 0.5286 0.3037 0.039 Uiso 1 1 calc R U . . .
C25 C 0.1996(2) 0.6699(3) 0.32336(19) 0.0308(8) Uani 1 1 d . . . . .
H25 H 0.2144 0.6793 0.2910 0.037 Uiso 1 1 calc R U . . .
C26 C 0.19983(18) 0.7477(3) 0.36130(18) 0.0254(8) Uani 1 1 d . . . . .
C27 C 0.21911(19) 0.8442(3) 0.34689(18) 0.0267(8) Uani 1 1 d . . . . .
C28 C 0.2731(2) 0.8552(3) 0.3347(2) 0.0336(9) Uani 1 1 d . . . . .
H28 H 0.3003 0.8015 0.3401 0.040 Uiso 1 1 calc R U . . .
C29 C 0.2879(2) 0.9430(3) 0.3147(2) 0.0339(9) Uani 1 1 d . . . . .
H29 H 0.3253 0.9484 0.3071 0.041 Uiso 1 1 calc R U . . .
C30 C 0.2487(2) 1.0234(3) 0.3054(2) 0.0306(8) Uani 1 1 d . . . . .
C31 C 0.1952(2) 1.0130(3) 0.3192(2) 0.0316(9) Uani 1 1 d . . . . .
H31 H 0.1685 1.0671 0.3147 0.038 Uiso 1 1 calc R U . . .
C32 C 0.18030(19) 0.9251(3) 0.33915(19) 0.0279(8) Uani 1 1 d . . . . .
H32 H 0.1434 0.9199 0.3477 0.034 Uiso 1 1 calc R U . . .
C33 C 0.1311(2) 0.4618(3) 0.3846(2) 0.0370(10) Uani 1 1 d . . . . .
C34 C 0.0668(3) 0.4512(5) 0.3297(3) 0.0631(17) Uani 1 1 d . . . . .
H34A H 0.0721 0.4608 0.2903 0.095 Uiso 1 1 calc R U . . .
H34B H 0.0377 0.4998 0.3337 0.095 Uiso 1 1 calc R U . . .
H34C H 0.0500 0.3863 0.3305 0.095 Uiso 1 1 calc R U . . .
C35 C 0.1748(4) 0.3822(4) 0.3816(4) 0.071(2) Uani 1 1 d . . . . .
H35A H 0.1795 0.3854 0.3417 0.107 Uiso 1 1 calc R U . . .
H35B H 0.1573 0.3192 0.3857 0.107 Uiso 1 1 calc R U . . .
H35C H 0.2158 0.3906 0.4156 0.107 Uiso 1 1 calc R U . . .
C36 C 0.1208(3) 0.4510(4) 0.4455(3) 0.0490(13) Uani 1 1 d . . . . .
H36A H 0.1060 0.3855 0.4482 0.073 Uiso 1 1 calc R U . . .
H36B H 0.0896 0.4983 0.4463 0.073 Uiso 1 1 calc R U . . .
H36C H 0.1605 0.4626 0.4809 0.073 Uiso 1 1 calc R U . . .
C37 C 0.2597(2) 1.1182(3) 0.2771(2) 0.0381(10) Uani 1 1 d . . . . .
C38 C 0.2077(3) 1.1233(5) 0.2108(3) 0.0617(16) Uani 1 1 d . . . . .
H38A H 0.1666 1.1246 0.2137 0.092 Uiso 1 1 calc R U . . .
H38B H 0.2106 1.0664 0.1869 0.092 Uiso 1 1 calc R U . . .
H38C H 0.2132 1.1822 0.1900 0.092 Uiso 1 1 calc R U . . .
C39 C 0.3218(3) 1.1203(4) 0.2696(4) 0.0621(17) Uani 1 1 d . . . . .
H39A H 0.3258 1.1814 0.2501 0.093 Uiso 1 1 calc R U . . .
H39B H 0.3238 1.0661 0.2432 0.093 Uiso 1 1 calc R U . . .
H39C H 0.3560 1.1147 0.3105 0.093 Uiso 1 1 calc R U . . .
C40 C 0.2539(4) 1.2044(4) 0.3142(4) 0.071(2) Uani 1 1 d . . . . .
H40A H 0.2871 1.2019 0.3560 0.107 Uiso 1 1 calc R U . . .
H40B H 0.2129 1.2031 0.3175 0.107 Uiso 1 1 calc R U . . .
H40C H 0.2579 1.2641 0.2933 0.107 Uiso 1 1 calc R U . . .
C41 C 0.11266(19) 0.8767(3) 0.45000(18) 0.0265(8) Uani 1 1 d . . . . .
C42 C 0.0599(2) 0.8234(3) 0.4134(2) 0.0314(9) Uani 1 1 d . . . . .
H42 H 0.0658 0.7597 0.4013 0.038 Uiso 1 1 calc R U . . .
C43 C -0.0008(2) 0.8591(4) 0.3938(2) 0.0362(10) Uani 1 1 d . . . . .
C44 C -0.0079(2) 0.9540(4) 0.4107(3) 0.0463(12) Uani 1 1 d . . . . .
H44 H -0.0485 0.9818 0.3975 0.056 Uiso 1 1 calc R U . . .
C45 C 0.0439(2) 1.0078(4) 0.4467(3) 0.0445(12) Uani 1 1 d . . . . .
H45 H 0.0376 1.0720 0.4577 0.053 Uiso 1 1 calc R U . . .
C46 C 0.1048(2) 0.9721(3) 0.46757(19) 0.0313(9) Uani 1 1 d . . . . .
C47 C 0.1559(2) 1.0372(3) 0.5063(2) 0.0345(9) Uani 1 1 d . . . . .
C48 C 0.1614(3) 1.1293(4) 0.4847(2) 0.0507(14) Uani 1 1 d . . . . .
H48 H 0.1352 1.1477 0.4436 0.061 Uiso 1 1 calc R U . . .
C49 C 0.2049(3) 1.1945(4) 0.5228(3) 0.0568(16) Uani 1 1 d . . . . .
H49 H 0.2078 1.2568 0.5069 0.068 Uiso 1 1 calc R U . . .
C50 C 0.2446(3) 1.1716(4) 0.5837(2) 0.0464(12) Uani 1 1 d . . . . .
C51 C 0.2400(3) 1.0789(4) 0.6034(2) 0.0455(12) Uani 1 1 d . . . . .
H51 H 0.2674 1.0597 0.6440 0.055 Uiso 1 1 calc R U . . .
C52 C 0.1968(2) 1.0127(3) 0.5660(2) 0.0385(10) Uani 1 1 d . . . . .
H52 H 0.1952 0.9496 0.5815 0.046 Uiso 1 1 calc R U . . .
C53 C -0.0563(2) 0.7969(4) 0.3538(3) 0.0621(15) Uani 1 1 d D U . . .
C54 C -0.0647(5) 0.7188(9) 0.3923(5) 0.155(5) Uani 1 1 d D U . . .
H54A H -0.0876 0.7434 0.4169 0.232 Uiso 1 1 calc R U . . .
H54B H -0.0236 0.6948 0.4202 0.232 Uiso 1 1 calc R U . . .
H54C H -0.0885 0.6660 0.3655 0.232 Uiso 1 1 calc R U . . .
C55 C -0.0449(4) 0.7640(9) 0.2964(5) 0.115(3) Uani 1 1 d D U . . .
H55A H -0.0128 0.7133 0.3084 0.173 Uiso 1 1 calc R U . . .
H55B H -0.0306 0.8191 0.2789 0.173 Uiso 1 1 calc R U . . .
H55C H -0.0839 0.7385 0.2653 0.173 Uiso 1 1 calc R U . . .
C56 C -0.1152(3) 0.8553(6) 0.3246(4) 0.081(2) Uani 1 1 d D U . . .
H56A H -0.1479 0.8151 0.2946 0.121 Uiso 1 1 calc R U . . .
H56B H -0.1069 0.9114 0.3031 0.121 Uiso 1 1 calc R U . . .
H56C H -0.1293 0.8776 0.3570 0.121 Uiso 1 1 calc R U . . .
C57 C 0.2902(4) 1.2472(4) 0.6259(3) 0.0716(17) Uani 1 1 d . U . . .
C58 C 0.2661(5) 1.3449(6) 0.6145(5) 0.120(4) Uani 1 1 d . U . . .
H58A H 0.2257 1.3477 0.6189 0.180 Uiso 1 1 calc R U . . .
H58B H 0.2605 1.3644 0.5722 0.180 Uiso 1 1 calc R U . . .
H58C H 0.2958 1.3889 0.6447 0.180 Uiso 1 1 calc R U . . .
C59 C 0.3108(6) 1.2206(7) 0.6934(4) 0.132(4) Uani 1 1 d . U . . .
H59A H 0.3439 1.2650 0.7186 0.198 Uiso 1 1 calc R U . . .
H59B H 0.3269 1.1542 0.6996 0.198 Uiso 1 1 calc R U . . .
H59C H 0.2750 1.2253 0.7059 0.198 Uiso 1 1 calc R U . . .
C60 C 0.3499(5) 1.2457(8) 0.6123(7) 0.141(4) Uani 1 1 d . U . . .
H60A H 0.3424 1.2799 0.5732 0.212 Uiso 1 1 calc R U . . .
H60B H 0.3618 1.1786 0.6087 0.212 Uiso 1 1 calc R U . . .
H60C H 0.3839 1.2778 0.6463 0.212 Uiso 1 1 calc R U . . .
C61 C 0.3242(4) 1.0540(7) 0.4717(4) 0.092(3) Uani 1 1 d . . . . .
H61A H 0.3419 1.0469 0.4394 0.110 Uiso 1 1 calc R U . . .
H61B H 0.3077 1.1197 0.4730 0.110 Uiso 1 1 calc R U . . .
C62 C 0.3552(4) 1.0155(6) 0.5237(4) 0.081(2) Uani 1 1 d . . . . .
H62A H 0.3598 1.0543 0.5610 0.098 Uiso 1 1 calc R U . . .
H62B H 0.3941 0.9814 0.5273 0.098 Uiso 1 1 calc R U . . .
C63 C 0.4196(4) 0.5046(5) 0.6030(4) 0.079(2) Uani 1 1 d . . . . .
H63A H 0.3737 0.4934 0.5849 0.095 Uiso 1 1 calc R U . . .
H63B H 0.4403 0.4874 0.5743 0.095 Uiso 1 1 calc R U . . .
C64 C 0.4503(3) 0.4784(5) 0.6638(4) 0.0719(19) Uani 1 1 d . . . . .
H64A H 0.4907 0.4443 0.6741 0.086 Uiso 1 1 calc R U . . .
H64B H 0.4241 0.4503 0.6847 0.086 Uiso 1 1 calc R U . . .
F1 F 0.5643(2) 0.5113(5) 0.6245(3) 0.114(2) Uani 1 1 d . . . . .
F2 F 0.6191(2) 0.4652(4) 0.7412(2) 0.0943(15) Uani 1 1 d . . . . .
F3 F 0.6481(3) 0.3698(3) 0.6577(3) 0.0965(15) Uani 1 1 d . . . . .
F4 F 0.72915(18) 0.4868(4) 0.7346(2) 0.1030(19) Uani 1 1 d . . . . .
F5 F 0.6734(3) 0.5331(5) 0.6165(3) 0.121(2) Uani 1 1 d . . . . .
F6 F 0.6464(3) 0.6260(3) 0.7035(4) 0.131(3) Uani 1 1 d . . . . .
F7 F 0.5325(3) 0.8962(4) 0.7170(3) 0.1077(17) Uani 1 1 d . . . . .
F8 F 0.4274(3) 0.9907(4) 0.6788(3) 0.127(2) Uani 1 1 d . . . . .
F9 F 0.5339(5) 1.0864(6) 0.7171(4) 0.206(5) Uani 1 1 d . . . . .
F10 F -0.0578(2) 0.1117(6) 0.2878(3) 0.117(2) Uani 1 1 d . . . . .
F11 F 0.0000 0.2476(7) 0.2500 0.241(8) Uani 1 2 d S T P . .
F12 F 0.0616(3) 0.1225(10) 0.3259(3) 0.217(6) Uani 1 1 d . . . . .
F13 F 0.0000 -0.0077(7) 0.2500 0.328(15) Uani 1 2 d S T P . .
O1 O 0.5553(2) 0.7017(3) 0.7356(2) 0.0579(10) Uani 1 1 d D . . . .
P1 P 0.18909(5) 0.82095(7) 0.46995(5) 0.02387(19) Uani 1 1 d . . . . .
Sb1 Sb 0.64755(2) 0.49774(3) 0.67878(2) 0.05084(10) Uani 1 1 d . . . . .
Sb2 Sb 0.5000 0.99602(4) 0.7500 0.06178(17) Uani 1 2 d S T P . .
Sb3 Sb 0.0000 0.11919(4) 0.2500 0.05136(13) Uani 1 2 d S T P . .
H1A H 0.553(4) 0.7623(15) 0.735(4) 0.077 Uiso 1 1 d D U . . .
H1B H 0.580(3) 0.682(5) 0.719(3) 0.077 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C64 2.361(8) . ?
Ag1 C63 2.366(7) . ?
Ag1 O1 2.433(4) . ?
Ag1 C11 2.543(5) . ?
Ag1 C12 2.612(5) . ?
Au1 C61 2.216(6) . ?
Au1 C62 2.235(6) . ?
Au1 P1 2.2896(10) . ?
C1 C2 1.390(6) . ?
C1 C6 1.406(6) . ?
C1 P1 1.824(4) . ?
C2 C3 1.392(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.402(7) . ?
C3 C13 1.528(6) . ?
C4 C5 1.376(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.485(6) . ?
C7 C12 1.402(6) . ?
C7 C8 1.403(7) . ?
C8 C9 1.390(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.397(8) . ?
C10 C17 1.531(7) . ?
C11 C12 1.396(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.514(8) . ?
C13 C15 1.532(9) . ?
C13 C14 1.533(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.495(10) . ?
C17 C19 1.514(11) . ?
C17 C20 1.543(12) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.402(5) . ?
C21 C22 1.409(5) . ?
C21 P1 1.818(4) . ?
C22 C23 1.384(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.403(6) . ?
C23 C33 1.526(6) . ?
C24 C25 1.378(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.485(5) . ?
C27 C28 1.392(6) . ?
C27 C32 1.401(6) . ?
C28 C29 1.388(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.400(6) . ?
C30 C37 1.531(6) . ?
C31 C32 1.390(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C35 1.512(7) . ?
C33 C36 1.533(7) . ?
C33 C34 1.549(8) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C40 1.508(8) . ?
C37 C39 1.513(8) . ?
C37 C38 1.549(8) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.398(6) . ?
C41 C46 1.412(6) . ?
C41 P1 1.816(4) . ?
C42 C43 1.388(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.396(7) . ?
C43 C53 1.527(7) . ?
C44 C45 1.384(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.482(6) . ?
C47 C52 1.389(6) . ?
C47 C48 1.392(7) . ?
C48 C49 1.385(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.396(8) . ?
C49 H49 0.9500 . ?
C50 C51 1.379(7) . ?
C50 C57 1.539(7) . ?
C51 C52 1.385(7) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.463(10) . ?
C53 C56 1.501(8) . ?
C53 C55 1.528(10) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.445(11) . ?
C57 C59 1.501(12) . ?
C57 C60 1.532(14) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.263(10) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.367(11) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
F1 Sb1 1.861(4) . ?
F2 Sb1 1.867(5) . ?
F3 Sb1 1.836(4) . ?
F4 Sb1 1.839(4) . ?
F5 Sb1 1.835(5) . ?
F6 Sb1 1.866(5) . ?
F7 Sb2 1.872(5) . ?
F8 Sb2 1.851(5) . ?
F9 Sb2 1.795(7) . ?
F10 Sb3 1.866(5) . ?
F11 Sb3 1.774(9) . ?
F12 Sb3 1.792(6) . ?
F13 Sb3 1.753(9) . ?
O1 H1A 0.84(2) . ?
O1 H1B 0.85(2) . ?
Sb2 F9 1.795(7) 2_656 ?
Sb2 F8 1.851(5) 2_656 ?
Sb2 F7 1.872(5) 2_656 ?
Sb3 F12 1.792(6) 2 ?
Sb3 F10 1.866(5) 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
C64 Ag1 C63 33.6(3) . . ?
C64 Ag1 O1 108.1(2) . . ?
C63 Ag1 O1 132.7(2) . . ?
C64 Ag1 C11 142.2(2) . . ?
C63 Ag1 C11 108.7(2) . . ?
O1 Ag1 C11 101.30(16) . . ?
C64 Ag1 C12 132.1(2) . . ?
C63 Ag1 C12 104.5(2) . . ?
O1 Ag1 C12 119.66(16) . . ?
C11 Ag1 C12 31.40(16) . . ?
C61 Au1 C62 33.0(3) . . ?
C61 Au1 P1 166.9(2) . . ?
C62 Au1 P1 159.8(2) . . ?
C2 C1 C6 120.3(4) . . ?
C2 C1 P1 118.2(3) . . ?
C6 C1 P1 121.3(3) . . ?
C1 C2 C3 122.9(4) . . ?
C1 C2 H2 118.6 . . ?
C3 C2 H2 118.6 . . ?
C2 C3 C4 116.3(4) . . ?
C2 C3 C13 120.8(4) . . ?
C4 C3 C13 122.8(4) . . ?
C5 C4 C3 121.4(4) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 122.3(4) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 116.8(4) . . ?
C5 C6 C7 118.7(4) . . ?
C1 C6 C7 124.5(4) . . ?
C12 C7 C8 117.0(4) . . ?
C12 C7 C6 121.3(4) . . ?
C8 C7 C6 121.7(4) . . ?
C9 C8 C7 121.4(4) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 121.9(5) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
C9 C10 C11 116.6(5) . . ?
C9 C10 C17 120.0(5) . . ?
C11 C10 C17 123.3(5) . . ?
C12 C11 C10 122.2(5) . . ?
C12 C11 Ag1 77.1(3) . . ?
C10 C11 Ag1 102.8(4) . . ?
C12 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
Ag1 C11 H11 90.1 . . ?
C11 C12 C7 120.9(5) . . ?
C11 C12 Ag1 71.6(3) . . ?
C7 C12 Ag1 105.0(3) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
Ag1 C12 H12 93.4 . . ?
C16 C13 C3 111.5(5) . . ?
C16 C13 C15 108.7(6) . . ?
C3 C13 C15 111.3(4) . . ?
C16 C13 C14 110.7(6) . . ?
C3 C13 C14 107.5(4) . . ?
C15 C13 C14 107.1(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 109.7(8) . . ?
C18 C17 C10 112.7(6) . . ?
C19 C17 C10 108.7(6) . . ?
C18 C17 C20 108.2(8) . . ?
C19 C17 C20 107.3(8) . . ?
C10 C17 C20 110.0(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 119.6(4) . . ?
C26 C21 P1 122.0(3) . . ?
C22 C21 P1 118.1(3) . . ?
C23 C22 C21 122.5(4) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 116.8(4) . . ?
C22 C23 C33 123.0(4) . . ?
C24 C23 C33 120.2(4) . . ?
C25 C24 C23 121.2(4) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C24 C25 C26 122.1(4) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C21 117.7(4) . . ?
C25 C26 C27 118.6(4) . . ?
C21 C26 C27 123.7(4) . . ?
C28 C27 C32 117.9(4) . . ?
C28 C27 C26 121.0(4) . . ?
C32 C27 C26 120.8(4) . . ?
C29 C28 C27 121.4(4) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C28 C29 C30 121.1(4) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C31 117.5(4) . . ?
C29 C30 C37 122.7(4) . . ?
C31 C30 C37 119.7(4) . . ?
C32 C31 C30 121.4(4) . . ?
C32 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C31 C32 C27 120.7(4) . . ?
C31 C32 H32 119.7 . . ?
C27 C32 H32 119.7 . . ?
C35 C33 C23 111.0(4) . . ?
C35 C33 C36 108.5(5) . . ?
C23 C33 C36 112.0(4) . . ?
C35 C33 C34 109.8(5) . . ?
C23 C33 C34 107.3(4) . . ?
C36 C33 C34 108.2(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C39 110.4(5) . . ?
C40 C37 C30 111.2(4) . . ?
C39 C37 C30 112.9(4) . . ?
C40 C37 C38 109.2(5) . . ?
C39 C37 C38 106.9(5) . . ?
C30 C37 C38 105.9(4) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 119.2(4) . . ?
C42 C41 P1 117.9(3) . . ?
C46 C41 P1 122.9(3) . . ?
C43 C42 C41 123.2(4) . . ?
C43 C42 H42 118.4 . . ?
C41 C42 H42 118.4 . . ?
C42 C43 C44 117.0(4) . . ?
C42 C43 C53 120.5(4) . . ?
C44 C43 C53 122.5(4) . . ?
C45 C44 C43 120.4(5) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 123.0(4) . . ?
C44 C45 H45 118.5 . . ?
C46 C45 H45 118.5 . . ?
C45 C46 C41 117.1(4) . . ?
C45 C46 C47 117.3(4) . . ?
C41 C46 C47 125.5(4) . . ?
C52 C47 C48 117.5(4) . . ?
C52 C47 C46 122.4(4) . . ?
C48 C47 C46 119.9(4) . . ?
C49 C48 C47 120.6(5) . . ?
C49 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C48 C49 C50 122.2(5) . . ?
C48 C49 H49 118.9 . . ?
C50 C49 H49 118.9 . . ?
C51 C50 C49 116.3(5) . . ?
C51 C50 C57 122.7(5) . . ?
C49 C50 C57 121.0(5) . . ?
C50 C51 C52 122.2(5) . . ?
C50 C51 H51 118.9 . . ?
C52 C51 H51 118.9 . . ?
C51 C52 C47 121.1(4) . . ?
C51 C52 H52 119.5 . . ?
C47 C52 H52 119.5 . . ?
C54 C53 C56 111.3(8) . . ?
C54 C53 C43 108.6(6) . . ?
C56 C53 C43 112.1(5) . . ?
C54 C53 C55 115.1(9) . . ?
C56 C53 C55 101.4(7) . . ?
C43 C53 C55 108.2(6) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C59 111.4(8) . . ?
C58 C57 C60 106.8(9) . . ?
C59 C57 C60 105.4(9) . . ?
C58 C57 C50 113.3(6) . . ?
C59 C57 C50 111.4(6) . . ?
C60 C57 C50 108.1(6) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 Au1 74.3(4) . . ?
C62 C61 H61A 116.1 . . ?
Au1 C61 H61A 116.1 . . ?
C62 C61 H61B 116.1 . . ?
Au1 C61 H61B 116.1 . . ?
H61A C61 H61B 113.1 . . ?
C61 C62 Au1 72.7(4) . . ?
C61 C62 H62A 116.3 . . ?
Au1 C62 H62A 116.3 . . ?
C61 C62 H62B 116.3 . . ?
Au1 C62 H62B 116.3 . . ?
H62A C62 H62B 113.3 . . ?
C64 C63 Ag1 73.0(5) . . ?
C64 C63 H63A 116.2 . . ?
Ag1 C63 H63A 116.2 . . ?
C64 C63 H63B 116.2 . . ?
Ag1 C63 H63B 116.2 . . ?
H63A C63 H63B 113.2 . . ?
C63 C64 Ag1 73.4(4) . . ?
C63 C64 H64A 116.2 . . ?
Ag1 C64 H64A 116.2 . . ?
C63 C64 H64B 116.2 . . ?
Ag1 C64 H64B 116.2 . . ?
H64A C64 H64B 113.2 . . ?
Ag1 O1 H1A 104(5) . . ?
Ag1 O1 H1B 103(5) . . ?
H1A O1 H1B 111(8) . . ?
C41 P1 C21 106.71(18) . . ?
C41 P1 C1 106.34(19) . . ?
C21 P1 C1 103.12(18) . . ?
C41 P1 Au1 112.60(14) . . ?
C21 P1 Au1 113.18(13) . . ?
C1 P1 Au1 114.11(13) . . ?
F5 Sb1 F3 90.4(3) . . ?
F5 Sb1 F4 91.3(3) . . ?
F3 Sb1 F4 89.9(2) . . ?
F5 Sb1 F1 90.2(3) . . ?
F3 Sb1 F1 91.6(3) . . ?
F4 Sb1 F1 177.9(3) . . ?
F5 Sb1 F6 92.2(3) . . ?
F3 Sb1 F6 177.3(3) . . ?
F4 Sb1 F6 89.6(3) . . ?
F1 Sb1 F6 88.8(3) . . ?
F5 Sb1 F2 178.0(3) . . ?
F3 Sb1 F2 90.9(3) . . ?
F4 Sb1 F2 90.2(2) . . ?
F1 Sb1 F2 88.3(2) . . ?
F6 Sb1 F2 86.4(3) . . ?
F9 Sb2 F9 91.9(8) 2_656 . ?
F9 Sb2 F8 92.3(4) 2_656 2_656 ?
F9 Sb2 F8 90.9(4) . 2_656 ?
F9 Sb2 F8 90.9(4) 2_656 . ?
F9 Sb2 F8 92.3(4) . . ?
F8 Sb2 F8 175.4(4) 2_656 . ?
F9 Sb2 F7 176.6(4) 2_656 . ?
F9 Sb2 F7 91.5(4) . . ?
F8 Sb2 F7 88.2(3) 2_656 . ?
F8 Sb2 F7 88.5(3) . . ?
F9 Sb2 F7 91.5(4) 2_656 2_656 ?
F9 Sb2 F7 176.6(4) . 2_656 ?
F8 Sb2 F7 88.5(3) 2_656 2_656 ?
F8 Sb2 F7 88.2(3) . 2_656 ?
F7 Sb2 F7 85.1(4) . 2_656 ?
F13 Sb3 F11 180.0 . . ?
F13 Sb3 F12 91.5(4) . 2 ?
F11 Sb3 F12 88.5(4) . 2 ?
F13 Sb3 F12 91.5(4) . . ?
F11 Sb3 F12 88.5(4) . . ?
F12 Sb3 F12 177.0(9) 2 . ?
F13 Sb3 F10 86.8(2) . 2 ?
F11 Sb3 F10 93.2(2) . 2 ?
F12 Sb3 F10 88.7(3) 2 2 ?
F12 Sb3 F10 91.4(3) . 2 ?
F13 Sb3 F10 86.8(2) . . ?
F11 Sb3 F10 93.2(2) . . ?
F12 Sb3 F10 91.4(3) 2 . ?
F12 Sb3 F10 88.7(3) . . ?
F10 Sb3 F10 173.7(5) 2 . ?

_refine_diff_density_max         2.450
_refine_diff_density_min         -1.944
_refine_diff_density_rms         0.124



####################################################################### 
# 
# 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_jcm02321a_sq
_database_code_depnum_ccdc_archive 'CCDC 2078524'
loop_
_audit_author_name
_audit_author_address
'Jesus Campos'
;CSIC
Spain
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C121 H145 Ag4 Au2 Cl2 F24 P2 Sb4'
_chemical_formula_weight         3500.61


_vrf_PLAT213_jcm02321a_sq        
;
PROBLEM: Atom CX             has ADP max/min Ratio
RESPONSE: SAME as PLAT242
;

_vrf_PLAT220_jcm02321a_sq        
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range
RESPONSE: SAME as PLAT242.
;

_vrf_PLAT241_jcm02321a_sq        
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of
RESPONSE: SAME as PLAT242.
;

_vrf_PLAT242_jcm02321a_sq        
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of
RESPONSE: The cause of this unusual high ratio between ADP values
 is the thermal motion of terminal CH3 groups of 
tert-butyl fragments, a very common issue for these moieties
 which does not constitute an important problem. Also, the SbF6
units also show some degree of disorder, not unsurprising in 
this fragment.
;

_vrf_PLAT234_jcm02321a_sq        
;
PROBLEM: Large Hirshfeld difference
RESPONSE: SAME as PLAT242.
;

_vrf_PLAT412_jcm02321a_sq        
;
PROBLEM: Short Intra XH3 .. XHn     H54A     ..H55C
RESPONSE: This short intramolecular H-H contact involves 
hydrogen atoms located in ideal calculated positions and
 thus susceptible to inaccuracies. Both hydrogen atoms 
are part of terminal CH3 groups, where the calculated 
positions are not always optimal. Moreover, H55s belong 
to a tert-butyl group that presents a high degree of
 disorder and thus, which in all likelihood results in 
a less accurate estimation of the hydrogen positions.
;

_vrf_PLAT342_jcm02321a_sq        
;
PROBLEM: Low Bond Precision on  C-C Bonds
RESPONSE: SAME as PLAT242.
;


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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

_cell_length_a                   26.3590(7)
_cell_length_b                   20.0663(6)
_cell_length_c                   26.8991(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14227.7(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9970
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      28.14

_exptl_crystal_description       colorless
_exptl_crystal_colour            neddle
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_F_000             6804
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    3.470
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5825
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   .
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus Source'
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean .
_diffrn_reflns_number            105201
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.980
_diffrn_reflns_theta_max         26.393
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             27683
_reflns_number_gt                20183
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.956
_reflns_Friedel_fraction_max     0.999
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.111 0.500 1.141 358 101 ' '
2 0.091 0.113 0.736 20 1 ' '
3 0.107 0.310 0.841 13 1 ' '
4 0.107 0.763 0.188 19 1 ' '
5 0.190 0.033 0.992 171 42 ' '
6 0.119 0.217 0.223 10 0 ' '
7 0.173 0.706 0.868 9 0 ' '
8 0.388 0.500 0.641 358 101 ' '
9 0.310 1.033 0.492 170 42 ' '
10 0.326 0.706 0.368 8 0 ' '
11 0.393 0.310 0.341 13 1 ' '
12 0.380 0.217 0.723 10 0 ' '
13 0.392 0.763 0.688 20 1 ' '
14 0.408 0.113 0.236 20 1 ' '
15 0.611 0.500 1.141 357 100 ' '
16 0.591 0.887 0.736 20 1 ' '
17 0.607 0.690 0.841 13 1 ' '
18 0.607 0.237 0.188 20 1 ' '
19 0.690 0.967 0.992 172 42 ' '
20 0.619 0.783 0.223 10 0 ' '
21 0.673 0.294 0.868 9 1 ' '
22 0.888 0.500 0.641 357 100 ' '
23 0.810 -0.033 0.492 171 42 ' '
24 0.826 0.294 0.368 8 0 ' '
25 0.893 0.690 0.341 13 1 ' '
26 0.880 0.783 0.723 10 0 ' '
27 0.892 0.237 0.688 20 1 ' '
28 0.908 0.887 0.236 21 1 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains 14 pentane molecules which have
 been treated as a diffuse contribution to the overall scattering
 without specific atom positions by SQUEEZE/PLATON.'

;


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0556P)²+25.0930P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.406(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         27683
_refine_ls_number_parameters     1494
_refine_ls_number_restraints     467
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1257
_refine_ls_wR_factor_gt          0.1094
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.67640(7) 0.39188(8) 0.57712(5) 0.0716(4) Uani 1 1 d . . . . .
Ag2 Ag 0.67191(8) 0.61214(8) 0.57141(6) 0.0895(5) Uani 1 1 d . U . . .
Ag3 Ag 0.57213(6) -0.09982(7) 0.48441(5) 0.0642(4) Uani 1 1 d . . . . .
Ag4 Ag 0.56596(6) 0.12021(7) 0.46914(6) 0.0721(4) Uani 1 1 d . . . . .
Au1 Au 0.68761(2) 0.50605(2) 0.63733(2) 0.03753(14) Uani 1 1 d . . . . .
Au2 Au 0.55890(2) 0.00245(2) 0.41211(2) 0.03486(13) Uani 1 1 d . . . . .
C1 C 0.6091(5) 0.5864(6) 0.7208(4) 0.034(3) Uani 1 1 d . . . . .
C2 C 0.5615(5) 0.5851(7) 0.7420(6) 0.045(4) Uani 1 1 d . . . . .
H2 H 0.5464 0.5433 0.7494 0.054 Uiso 1 1 calc R U . . .
C3 C 0.5350(6) 0.6433(8) 0.7531(6) 0.051(4) Uani 1 1 d . . . . .
C4 C 0.5594(7) 0.7011(7) 0.7432(6) 0.056(4) Uani 1 1 d . . . . .
H4 H 0.5438 0.7418 0.7529 0.068 Uiso 1 1 calc R U . . .
C5 C 0.6044(6) 0.7036(7) 0.7201(6) 0.052(4) Uani 1 1 d . . . . .
H5 H 0.6176 0.7457 0.7104 0.062 Uiso 1 1 calc R U . . .
C6 C 0.6323(5) 0.6469(6) 0.7100(5) 0.038(3) Uani 1 1 d . . . . .
C7 C 0.6842(5) 0.6549(7) 0.6854(6) 0.043(4) Uani 1 1 d . . . . .
C8 C 0.7252(5) 0.6236(7) 0.7044(6) 0.045(4) Uani 1 1 d . . . . .
H8 H 0.7211 0.5947 0.7321 0.054 Uiso 1 1 calc R U . . .
C9 C 0.7725(5) 0.6327(8) 0.6849(6) 0.057(4) Uani 1 1 d . . . . .
H9 H 0.8011 0.6131 0.7007 0.069 Uiso 1 1 calc R U . . .
C10 C 0.7794(6) 0.6709(10) 0.6412(8) 0.075(6) Uani 1 1 d . . . . .
C11 C 0.7364(7) 0.6991(9) 0.6222(7) 0.069(5) Uani 1 1 d . . . . .
H11 H 0.7393 0.7239 0.5923 0.083 Uiso 1 1 calc R U . . .
C12 C 0.6887(5) 0.6938(8) 0.6438(7) 0.054(4) Uani 1 1 d . . . . .
H12 H 0.6602 0.7164 0.6303 0.065 Uiso 1 1 calc R U . . .
C13 C 0.4822(7) 0.6383(10) 0.7750(8) 0.117(8) Uani 1 1 d D U . . .
C14 C 0.4816(9) 0.5932(13) 0.8174(9) 0.165(11) Uani 1 1 d D U . . .
H14A H 0.4913 0.6176 0.8475 0.247 Uiso 1 1 calc R U . . .
H14B H 0.5056 0.5567 0.8117 0.247 Uiso 1 1 calc R U . . .
H14C H 0.4474 0.5748 0.8216 0.247 Uiso 1 1 calc R U . . .
C15 C 0.4484(10) 0.6056(15) 0.7342(10) 0.175(11) Uani 1 1 d D U . . .
H15A H 0.4131 0.6046 0.7456 0.262 Uiso 1 1 calc R U . . .
H15B H 0.4601 0.5600 0.7280 0.262 Uiso 1 1 calc R U . . .
H15C H 0.4508 0.6315 0.7035 0.262 Uiso 1 1 calc R U . . .
C16 C 0.4601(12) 0.7051(11) 0.7828(12) 0.176(12) Uani 1 1 d D U . . .
H16A H 0.4401 0.7052 0.8135 0.264 Uiso 1 1 calc R U . . .
H16B H 0.4381 0.7164 0.7547 0.264 Uiso 1 1 calc R U . . .
H16C H 0.4874 0.7381 0.7854 0.264 Uiso 1 1 calc R U . . .
C17 C 0.8315(7) 0.6836(13) 0.6194(9) 0.127(8) Uani 1 1 d D U . . .
C18 C 0.8739(8) 0.6578(19) 0.6480(12) 0.178(12) Uani 1 1 d D U . . .
H18A H 0.8691 0.6100 0.6539 0.267 Uiso 1 1 calc R U . . .
H18B H 0.8759 0.6812 0.6799 0.267 Uiso 1 1 calc R U . . .
H18C H 0.9055 0.6647 0.6294 0.267 Uiso 1 1 calc R U . . .
C19 C 0.8308(10) 0.6521(17) 0.5675(11) 0.155(10) Uani 1 1 d D U . . .
H19A H 0.7979 0.6606 0.5517 0.232 Uiso 1 1 calc R U . . .
H19B H 0.8361 0.6039 0.5704 0.232 Uiso 1 1 calc R U . . .
H19C H 0.8578 0.6716 0.5472 0.232 Uiso 1 1 calc R U . . .
C20 C 0.8406(10) 0.7566(15) 0.6126(14) 0.169(11) Uani 1 1 d D U . . .
H20A H 0.8760 0.7640 0.6027 0.254 Uiso 1 1 calc R U . . .
H20B H 0.8340 0.7799 0.6440 0.254 Uiso 1 1 calc R U . . .
H20C H 0.8180 0.7739 0.5868 0.254 Uiso 1 1 calc R U . . .
C21 C 0.6723(5) 0.4765(6) 0.7601(5) 0.036(3) Uani 1 1 d . . . . .
C22 C 0.6590(7) 0.5027(7) 0.8066(6) 0.047(4) Uani 1 1 d . . . . .
H22 H 0.6342 0.5371 0.8078 0.057 Uiso 1 1 calc R U . . .
C23 C 0.6803(7) 0.4807(8) 0.8511(6) 0.054(4) Uani 1 1 d . . . . .
C24 C 0.7168(7) 0.4323(8) 0.8448(6) 0.065(5) Uani 1 1 d . . . . .
H24 H 0.7345 0.4173 0.8735 0.078 Uiso 1 1 calc R U . . .
C25 C 0.7292(7) 0.4045(9) 0.7999(6) 0.064(5) Uani 1 1 d . . . . .
H25 H 0.7542 0.3705 0.7988 0.077 Uiso 1 1 calc R U . . .
C26 C 0.7064(5) 0.4243(7) 0.7567(5) 0.042(3) Uani 1 1 d . . . . .
C27 C 0.7253(6) 0.3949(7) 0.7082(5) 0.042(3) Uani 1 1 d . . . . .
C28 C 0.6959(6) 0.3480(8) 0.6824(6) 0.046(4) Uani 1 1 d . . . . .
H28 H 0.6622 0.3398 0.6933 0.055 Uiso 1 1 calc R U . . .
C29 C 0.7139(7) 0.3132(7) 0.6418(7) 0.062(5) Uani 1 1 d . . . . .
H29 H 0.6932 0.2811 0.6257 0.074 Uiso 1 1 calc R U . . .
C30 C 0.7643(7) 0.3262(9) 0.6244(6) 0.059(4) Uani 1 1 d . . . . .
C31 C 0.7909(7) 0.3711(10) 0.6509(7) 0.068(5) Uani 1 1 d . . . . .
H31 H 0.8248 0.3797 0.6406 0.082 Uiso 1 1 calc R U . . .
C32 C 0.7739(5) 0.4047(8) 0.6907(6) 0.055(4) Uani 1 1 d . . . . .
H32 H 0.7955 0.4356 0.7070 0.066 Uiso 1 1 calc R U . . .
C33 C 0.6674(7) 0.5146(10) 0.8985(7) 0.089(4) Uani 1 1 d D U . . .
C34 C 0.6901(16) 0.485(2) 0.9439(14) 0.099(7) Uani 0.46(2) 1 d D U P A 1
C35 C 0.6873(17) 0.5873(16) 0.8959(17) 0.113(8) Uani 0.46(2) 1 d D U P A 1
C36 C 0.6105(9) 0.522(2) 0.9044(17) 0.101(8) Uani 0.46(2) 1 d D U P A 1
C34B C 0.6233(15) 0.562(2) 0.8996(15) 0.099(7) Uani 0.54(2) 1 d D . P A 2
C35B C 0.6514(19) 0.4571(17) 0.9317(15) 0.113(8) Uani 0.54(2) 1 d D . P A 2
C36B C 0.7155(12) 0.532(2) 0.9277(14) 0.101(8) Uani 0.54(2) 1 d D . P A 2
C37 C 0.7878(7) 0.2865(8) 0.5832(6) 0.085(6) Uani 1 1 d D . . . .
C38 C 0.8010(8) 0.3340(11) 0.5401(7) 0.105(8) Uani 1 1 d D . . . .
H38A H 0.8267 0.3659 0.5512 0.157 Uiso 1 1 calc R U . . .
H38B H 0.7704 0.3580 0.5298 0.157 Uiso 1 1 calc R U . . .
H38C H 0.8142 0.3082 0.5120 0.157 Uiso 1 1 calc R U . . .
C39 C 0.7527(9) 0.2345(10) 0.5623(8) 0.131(11) Uani 1 1 d D . . . .
H39A H 0.7699 0.2105 0.5353 0.196 Uiso 1 1 calc R U . . .
H39B H 0.7221 0.2560 0.5493 0.196 Uiso 1 1 calc R U . . .
H39C H 0.7433 0.2030 0.5885 0.196 Uiso 1 1 calc R U . . .
C40 C 0.8363(8) 0.2537(12) 0.5997(9) 0.138(12) Uani 1 1 d D . . . .
H40A H 0.8285 0.2171 0.6226 0.207 Uiso 1 1 calc R U . . .
H40B H 0.8578 0.2866 0.6166 0.207 Uiso 1 1 calc R U . . .
H40C H 0.8543 0.2362 0.5706 0.207 Uiso 1 1 calc R U . . .
C41 C 0.5840(5) 0.4490(6) 0.6987(5) 0.037(3) Uani 1 1 d . . . . .
C42 C 0.5700(5) 0.4105(6) 0.7403(6) 0.036(3) Uani 1 1 d . . . . .
H42 H 0.5887 0.4155 0.7702 0.043 Uiso 1 1 calc R U . . .
C43 C 0.5295(6) 0.3652(7) 0.7394(6) 0.049(4) Uani 1 1 d . . . . .
C44 C 0.5045(5) 0.3602(7) 0.6963(6) 0.050(4) Uani 1 1 d . . . . .
H44 H 0.4765 0.3305 0.6942 0.060 Uiso 1 1 calc R U . . .
C45 C 0.5180(6) 0.3970(8) 0.6543(6) 0.061(4) Uani 1 1 d . . . . .
H45 H 0.4997 0.3907 0.6243 0.073 Uiso 1 1 calc R U . . .
C46 C 0.5570(5) 0.4416(6) 0.6554(5) 0.039(3) Uani 1 1 d . . . . .
C47 C 0.5694(5) 0.4759(7) 0.6071(5) 0.035(3) Uani 1 1 d . . . . .
C48 C 0.5699(5) 0.5449(6) 0.6019(5) 0.034(3) Uani 1 1 d . . . . .
H48 H 0.5640 0.5729 0.6297 0.040 Uiso 1 1 calc R U . . .
C49 C 0.5795(7) 0.5734(7) 0.5537(6) 0.054(4) Uani 1 1 d . U . . .
H49 H 0.5791 0.6205 0.5503 0.064 Uiso 1 1 calc R U . . .
C50 C 0.5896(6) 0.5347(8) 0.5118(5) 0.049(4) Uani 1 1 d . . . . .
C51 C 0.5878(6) 0.4656(7) 0.5192(6) 0.052(4) Uani 1 1 d . . . . .
H51 H 0.5921 0.4370 0.4913 0.062 Uiso 1 1 calc R U . . .
C52 C 0.5801(6) 0.4367(7) 0.5664(5) 0.047(4) Uani 1 1 d . . . . .
H52 H 0.5823 0.3897 0.5702 0.057 Uiso 1 1 calc R U . . .
C53 C 0.5197(7) 0.3217(9) 0.7852(7) 0.073(5) Uani 1 1 d . U . . .
C54 C 0.5057(11) 0.3647(12) 0.8268(10) 0.129(8) Uani 1 1 d . U . . .
H54A H 0.5151 0.3431 0.8582 0.193 Uiso 1 1 calc R U . . .
H54B H 0.4690 0.3726 0.8263 0.193 Uiso 1 1 calc R U . . .
H54C H 0.5236 0.4074 0.8239 0.193 Uiso 1 1 calc R U . . .
C55 C 0.5658(7) 0.2800(9) 0.7968(8) 0.080(5) Uani 1 1 d . U . . .
H55A H 0.5943 0.3093 0.8051 0.120 Uiso 1 1 calc R U . . .
H55B H 0.5746 0.2529 0.7677 0.120 Uiso 1 1 calc R U . . .
H55C H 0.5585 0.2508 0.8251 0.120 Uiso 1 1 calc R U . . .
C56 C 0.4774(9) 0.2712(11) 0.7748(10) 0.111(7) Uani 1 1 d . U . . .
H56A H 0.4781 0.2362 0.8002 0.167 Uiso 1 1 calc R U . . .
H56B H 0.4827 0.2512 0.7420 0.167 Uiso 1 1 calc R U . . .
H56C H 0.4445 0.2939 0.7755 0.167 Uiso 1 1 calc R U . . .
C57 C 0.5946(8) 0.5619(8) 0.4603(6) 0.070(5) Uani 1 1 d . . . . .
C58 C 0.5802(8) 0.6379(8) 0.4581(7) 0.076(5) Uani 1 1 d . . . . .
H58A H 0.5960 0.6614 0.4861 0.114 Uiso 1 1 calc R U . . .
H58B H 0.5433 0.6428 0.4600 0.114 Uiso 1 1 calc R U . . .
H58C H 0.5925 0.6570 0.4267 0.114 Uiso 1 1 calc R U . . .
C59 C 0.5615(10) 0.5258(11) 0.4241(8) 0.113(10) Uani 1 1 d . . . . .
H59A H 0.5637 0.5475 0.3915 0.170 Uiso 1 1 calc R U . . .
H59B H 0.5263 0.5267 0.4358 0.170 Uiso 1 1 calc R U . . .
H59C H 0.5729 0.4794 0.4212 0.170 Uiso 1 1 calc R U . . .
C60 C 0.6499(8) 0.5538(10) 0.4438(7) 0.090(7) Uani 1 1 d . . . . .
H60A H 0.6608 0.5078 0.4496 0.135 Uiso 1 1 calc R U . . .
H60B H 0.6715 0.5842 0.4630 0.135 Uiso 1 1 calc R U . . .
H60C H 0.6528 0.5642 0.4084 0.135 Uiso 1 1 calc R U . . .
C61 C 0.6385(5) -0.0810(6) 0.3342(4) 0.030(3) Uani 1 1 d . . . . .
C62 C 0.6872(5) -0.0846(6) 0.3127(5) 0.035(3) Uani 1 1 d . . . . .
H62 H 0.7040 -0.0441 0.3047 0.042 Uiso 1 1 calc R U . . .
C63 C 0.7113(6) -0.1429(7) 0.3027(6) 0.049(4) Uani 1 1 d . . . . .
C64 C 0.6859(5) -0.2037(8) 0.3132(7) 0.056(4) Uani 1 1 d . . . . .
H64 H 0.7014 -0.2454 0.3061 0.067 Uiso 1 1 calc R U . . .
C65 C 0.6371(6) -0.2006(6) 0.3345(6) 0.052(4) Uani 1 1 d . . . . .
H65 H 0.6196 -0.2411 0.3409 0.062 Uiso 1 1 calc R U . . .
C66 C 0.6137(4) -0.1410(6) 0.3465(5) 0.032(3) Uani 1 1 d . . . . .
C67 C 0.5630(5) -0.1447(6) 0.3700(5) 0.031(3) Uani 1 1 d . . . . .
C68 C 0.5557(5) -0.1828(6) 0.4133(6) 0.041(3) Uani 1 1 d . . . . .
H68 H 0.5840 -0.2053 0.4273 0.049 Uiso 1 1 calc R U . . .
C69 C 0.5090(5) -0.1888(7) 0.4362(6) 0.044(3) Uani 1 1 d . . . . .
H69 H 0.5057 -0.2142 0.4658 0.052 Uiso 1 1 calc R U . . .
C70 C 0.4659(6) -0.1569(8) 0.4154(6) 0.052(4) Uani 1 1 d . . . . .
C71 C 0.4731(5) -0.1202(7) 0.3739(5) 0.043(3) Uani 1 1 d . . . . .
H71 H 0.4447 -0.0975 0.3601 0.052 Uiso 1 1 calc R U . . .
C72 C 0.5207(5) -0.1137(7) 0.3498(5) 0.040(3) Uani 1 1 d . . . . .
H72 H 0.5236 -0.0883 0.3201 0.048 Uiso 1 1 calc R U . . .
C73 C 0.7636(6) -0.1481(8) 0.2781(7) 0.064(5) Uani 1 1 d . . . . .
C74 C 0.7846(7) -0.0808(10) 0.2680(9) 0.103(8) Uani 1 1 d . . . . .
H74A H 0.8198 -0.0849 0.2568 0.155 Uiso 1 1 calc R U . . .
H74B H 0.7834 -0.0541 0.2985 0.155 Uiso 1 1 calc R U . . .
H74C H 0.7644 -0.0590 0.2421 0.155 Uiso 1 1 calc R U . . .
C75 C 0.7603(9) -0.1782(15) 0.2260(8) 0.125(10) Uani 1 1 d . . . . .
H75A H 0.7947 -0.1851 0.2130 0.188 Uiso 1 1 calc R U . . .
H75B H 0.7417 -0.1478 0.2041 0.188 Uiso 1 1 calc R U . . .
H75C H 0.7426 -0.2211 0.2276 0.188 Uiso 1 1 calc R U . . .
C76 C 0.7978(8) -0.1988(12) 0.3029(10) 0.110(9) Uani 1 1 d . . . . .
H76A H 0.7802 -0.2417 0.3049 0.165 Uiso 1 1 calc R U . . .
H76B H 0.8064 -0.1835 0.3365 0.165 Uiso 1 1 calc R U . . .
H76C H 0.8289 -0.2039 0.2834 0.165 Uiso 1 1 calc R U . . .
C77 C 0.4136(6) -0.1675(10) 0.4400(6) 0.067(5) Uani 1 1 d . . . . .
C78 C 0.3718(7) -0.1425(15) 0.4079(9) 0.124(10) Uani 1 1 d . . . . .
H78A H 0.3393 -0.1598 0.4201 0.186 Uiso 1 1 calc R U . . .
H78B H 0.3773 -0.1576 0.3737 0.186 Uiso 1 1 calc R U . . .
H78C H 0.3713 -0.0937 0.4088 0.186 Uiso 1 1 calc R U . . .
C79 C 0.4062(9) -0.2449(12) 0.4481(10) 0.122(11) Uani 1 1 d . . . . .
H79A H 0.4387 -0.2651 0.4574 0.183 Uiso 1 1 calc R U . . .
H79B H 0.3938 -0.2652 0.4173 0.183 Uiso 1 1 calc R U . . .
H79C H 0.3814 -0.2524 0.4747 0.183 Uiso 1 1 calc R U . . .
C80 C 0.4136(7) -0.1366(12) 0.4916(7) 0.089(7) Uani 1 1 d . . . . .
H80A H 0.3786 -0.1313 0.5032 0.133 Uiso 1 1 calc R U . . .
H80B H 0.4302 -0.0929 0.4903 0.133 Uiso 1 1 calc R U . . .
H80C H 0.4322 -0.1656 0.5146 0.133 Uiso 1 1 calc R U . . .
C81 C 0.5829(4) 0.0277(6) 0.2888(5) 0.030(3) Uani 1 1 d . . . . .
C82 C 0.5959(5) -0.0021(7) 0.2451(5) 0.037(3) Uani 1 1 d . . . . .
H82 H 0.6168 -0.0407 0.2459 0.044 Uiso 1 1 calc R U . . .
C83 C 0.5794(5) 0.0224(8) 0.1987(5) 0.045(3) Uani 1 1 d . . . . .
C84 C 0.5458(6) 0.0745(8) 0.1994(5) 0.056(4) Uani 1 1 d . . . . .
H84 H 0.5327 0.0913 0.1689 0.067 Uiso 1 1 calc R U . . .
C85 C 0.5303(7) 0.1035(7) 0.2444(6) 0.062(5) Uani 1 1 d . . . . .
H85 H 0.5073 0.1400 0.2436 0.075 Uiso 1 1 calc R U . . .
C86 C 0.5474(5) 0.0809(7) 0.2898(5) 0.041(3) Uani 1 1 d . . . . .
C87 C 0.5286(5) 0.1137(7) 0.3349(5) 0.040(3) Uani 1 1 d . . . . .
C88 C 0.5578(5) 0.1583(7) 0.3629(5) 0.036(3) Uani 1 1 d . . . . .
H88 H 0.5926 0.1655 0.3555 0.043 Uiso 1 1 calc R U . . .
C89 C 0.5337(7) 0.1927(7) 0.4031(6) 0.055(4) Uani 1 1 d . . . . .
H89 H 0.5527 0.2232 0.4226 0.066 Uiso 1 1 calc R U . . .
C90 C 0.4815(6) 0.1818(8) 0.4141(7) 0.065(5) Uani 1 1 d . . . . .
C91 C 0.4559(7) 0.1356(9) 0.3888(7) 0.065(5) Uani 1 1 d . . . . .
H91 H 0.4222 0.1252 0.3985 0.078 Uiso 1 1 calc R U . . .
C92 C 0.4767(6) 0.1030(8) 0.3498(6) 0.052(4) Uani 1 1 d . . . . .
H92 H 0.4565 0.0723 0.3316 0.063 Uiso 1 1 calc R U . . .
C93 C 0.5964(7) -0.0073(10) 0.1496(6) 0.068(5) Uani 1 1 d . U . . .
C94 C 0.6513(12) -0.0109(19) 0.1474(10) 0.178(12) Uani 1 1 d . U . . .
H94A H 0.6650 0.0333 0.1396 0.267 Uiso 1 1 calc R U . . .
H94B H 0.6614 -0.0425 0.1214 0.267 Uiso 1 1 calc R U . . .
H94C H 0.6646 -0.0259 0.1795 0.267 Uiso 1 1 calc R U . . .
C95 C 0.5871(12) -0.0905(17) 0.1551(9) 0.158(9) Uani 1 1 d . U . . .
H95A H 0.6148 -0.1143 0.1386 0.237 Uiso 1 1 calc R U . . .
H95B H 0.5547 -0.1026 0.1396 0.237 Uiso 1 1 calc R U . . .
H95C H 0.5863 -0.1027 0.1904 0.237 Uiso 1 1 calc R U . . .
C96 C 0.5634(10) 0.0016(14) 0.1057(10) 0.140(11) Uani 1 1 d . U . . .
H96A H 0.5282 -0.0088 0.1148 0.210 Uiso 1 1 calc R U . . .
H96B H 0.5745 -0.0284 0.0791 0.210 Uiso 1 1 calc R U . . .
H96C H 0.5655 0.0478 0.0942 0.210 Uiso 1 1 calc R U . . .
C97 C 0.4556(8) 0.2234(11) 0.4574(9) 0.093(6) Uani 1 1 d . U . . .
C98 C 0.4899(8) 0.2820(10) 0.4746(8) 0.097(6) Uani 1 1 d . U . . .
H98A H 0.4901 0.3168 0.4491 0.146 Uiso 1 1 calc R U . . .
H98B H 0.5246 0.2658 0.4798 0.146 Uiso 1 1 calc R U . . .
H98C H 0.4768 0.3004 0.5058 0.146 Uiso 1 1 calc R U . . .
C99 C 0.4419(9) 0.1783(13) 0.5011(9) 0.118(8) Uani 1 1 d . U . . .
H99A H 0.4724 0.1690 0.5207 0.176 Uiso 1 1 calc R U . . .
H99B H 0.4278 0.1363 0.4886 0.176 Uiso 1 1 calc R U . . .
H99C H 0.4167 0.2006 0.5222 0.176 Uiso 1 1 calc R U . . .
C100 C 0.4095(9) 0.2555(13) 0.4345(12) 0.133(9) Uani 1 1 d . U . . .
H10A H 0.4116 0.2521 0.3982 0.200 Uiso 1 1 calc R U . . .
H10B H 0.4082 0.3026 0.4441 0.200 Uiso 1 1 calc R U . . .
H10C H 0.3789 0.2328 0.4462 0.200 Uiso 1 1 calc R U . . .
C101 C 0.6654(5) 0.0568(5) 0.3531(5) 0.030(3) Uani 1 1 d . . . . .
C102 C 0.6833(5) 0.0909(7) 0.3116(5) 0.035(3) Uani 1 1 d . . . . .
H102 H 0.6677 0.0820 0.2805 0.042 Uiso 1 1 calc R U . . .
C103 C 0.7215(5) 0.1360(6) 0.3126(5) 0.038(3) Uani 1 1 d . . . . .
C104 C 0.7441(6) 0.1485(7) 0.3614(6) 0.052(4) Uani 1 1 d . . . . .
H104 H 0.7712 0.1795 0.3643 0.063 Uiso 1 1 calc R U . . .
C105 C 0.7269(5) 0.1164(7) 0.4031(6) 0.046(3) Uani 1 1 d . . . . .
H105 H 0.7416 0.1266 0.4344 0.055 Uiso 1 1 calc R U . . .
C106 C 0.6879(5) 0.0686(6) 0.4005(4) 0.033(3) Uani 1 1 d . . . . .
C107 C 0.6712(5) 0.0375(7) 0.4481(5) 0.037(3) Uani 1 1 d . . . . .
C108 C 0.6723(5) -0.0307(7) 0.4562(5) 0.035(3) Uani 1 1 d . . . . .
H108 H 0.6793 -0.0595 0.4291 0.042 Uiso 1 1 calc R U . . .
C109 C 0.6634(5) -0.0583(7) 0.5027(5) 0.040(3) Uani 1 1 d . . . . .
H109 H 0.6652 -0.1052 0.5069 0.048 Uiso 1 1 calc R U . . .
C110 C 0.6516(5) -0.0176(7) 0.5439(5) 0.039(3) Uani 1 1 d . . . . .
C111 C 0.6474(6) 0.0514(7) 0.5348(5) 0.047(4) Uani 1 1 d . . . . .
H111 H 0.6354 0.0798 0.5605 0.056 Uiso 1 1 calc R U . . .
C112 C 0.6607(6) 0.0788(7) 0.4888(5) 0.044(3) Uani 1 1 d . . . . .
H112 H 0.6625 0.1258 0.4850 0.053 Uiso 1 1 calc R U . . .
C113 C 0.7393(6) 0.1722(8) 0.2670(6) 0.056(4) Uani 1 1 d . . . . .
C114 C 0.7477(8) 0.1254(9) 0.2241(6) 0.071(5) Uani 1 1 d . . . . .
H11A H 0.7588 0.1508 0.1950 0.107 Uiso 1 1 calc R U . . .
H11B H 0.7160 0.1021 0.2165 0.107 Uiso 1 1 calc R U . . .
H11C H 0.7739 0.0928 0.2331 0.107 Uiso 1 1 calc R U . . .
C115 C 0.6986(7) 0.2201(9) 0.2521(7) 0.074(5) Uani 1 1 d . . . . .
H11D H 0.6654 0.1987 0.2556 0.111 Uiso 1 1 calc R U . . .
H11E H 0.7036 0.2335 0.2175 0.111 Uiso 1 1 calc R U . . .
H11F H 0.7001 0.2595 0.2736 0.111 Uiso 1 1 calc R U . . .
C116 C 0.7888(8) 0.2133(12) 0.2755(9) 0.104(8) Uani 1 1 d . . . . .
H11G H 0.8010 0.2307 0.2436 0.156 Uiso 1 1 calc R U . . .
H11H H 0.8149 0.1845 0.2901 0.156 Uiso 1 1 calc R U . . .
H11I H 0.7817 0.2505 0.2981 0.156 Uiso 1 1 calc R U . . .
C117 C 0.6452(6) -0.0449(7) 0.5954(5) 0.053(4) Uani 1 1 d . . . . .
C118 C 0.6559(7) -0.1189(8) 0.5998(7) 0.068(5) Uani 1 1 d . . . . .
H11J H 0.6920 -0.1271 0.5939 0.102 Uiso 1 1 calc R U . . .
H11K H 0.6358 -0.1431 0.5750 0.102 Uiso 1 1 calc R U . . .
H11L H 0.6468 -0.1342 0.6332 0.102 Uiso 1 1 calc R U . . .
C119 C 0.5909(8) -0.0313(9) 0.6141(6) 0.075(5) Uani 1 1 d . . . . .
H11M H 0.5858 0.0168 0.6176 0.113 Uiso 1 1 calc R U . . .
H11N H 0.5861 -0.0529 0.6465 0.113 Uiso 1 1 calc R U . . .
H11O H 0.5664 -0.0493 0.5903 0.113 Uiso 1 1 calc R U . . .
C120 C 0.6839(8) -0.0065(10) 0.6305(8) 0.084(7) Uani 1 1 d . . . . .
H12A H 0.7181 -0.0241 0.6253 0.127 Uiso 1 1 calc R U . . .
H12B H 0.6740 -0.0129 0.6653 0.127 Uiso 1 1 calc R U . . .
H12C H 0.6833 0.0411 0.6224 0.127 Uiso 1 1 calc R U . . .
C200 C 0.5907(8) 0.0896(11) 0.7402(8) 0.093(7) Uani 1 1 d . . . . .
H20D H 0.5844 0.1361 0.7510 0.111 Uiso 1 1 calc R U . . .
H20E H 0.6087 0.0910 0.7079 0.111 Uiso 1 1 calc R U . . .
Cl1 Cl 0.73347(17) 0.5043(2) 0.56388(17) 0.0606(11) Uani 1 1 d . . . . .
Cl2 Cl 0.51158(17) 0.00735(19) 0.48523(16) 0.0564(10) Uani 1 1 d . . . . .
Cl3 Cl 0.5353(3) 0.0495(5) 0.7337(2) 0.148(3) Uani 1 1 d . . . . .
Cl4 Cl 0.6287(2) 0.0475(4) 0.7852(3) 0.136(3) Uani 1 1 d . . . . .
F1 F 0.6738(5) 0.3445(8) 0.4939(5) 0.122(5) Uani 1 1 d . U . . .
F2 F 0.6001(4) 0.3436(5) 0.4305(4) 0.083(3) Uani 1 1 d . U . . .
F3 F 0.6803(6) 0.3961(6) 0.4000(7) 0.144(5) Uani 1 1 d . U . . .
F4 F 0.7337(4) 0.2859(7) 0.4312(6) 0.127(5) Uani 1 1 d . U . . .
F5 F 0.6476(5) 0.2329(5) 0.4526(5) 0.103(4) Uani 1 1 d . U . . .
F6 F 0.6549(6) 0.2794(7) 0.3662(5) 0.128(5) Uani 1 1 d . U . . .
F7 F 0.7068(5) 0.6813(6) 0.5049(4) 0.101(4) Uani 1 1 d . U . . .
F8 F 0.7437(4) 0.8023(5) 0.5186(4) 0.083(3) Uani 1 1 d . U . . .
F9 F 0.6549(5) 0.7832(6) 0.4777(5) 0.103(4) Uani 1 1 d . U . . .
F10 F 0.6961(6) 0.7052(6) 0.4110(5) 0.120(4) Uani 1 1 d . U . . .
F11 F 0.7852(6) 0.7231(8) 0.4525(7) 0.149(6) Uani 1 1 d . U . . .
F12 F 0.7315(6) 0.8291(6) 0.4239(5) 0.114(4) Uani 1 1 d . U . . .
F13 F 0.5363(4) -0.1666(4) 0.5544(3) 0.066(2) Uani 1 1 d . U . . .
F14 F 0.4956(3) -0.2834(4) 0.5426(3) 0.063(2) Uani 1 1 d . U . . .
F15 F 0.5844(4) -0.2712(5) 0.5876(4) 0.079(3) Uani 1 1 d . U . . .
F16 F 0.5445(4) -0.1881(5) 0.6515(3) 0.074(3) Uani 1 1 d . U . . .
F17 F 0.4556(4) -0.1993(6) 0.6067(4) 0.092(3) Uani 1 1 d . U . . .
F18 F 0.5039(5) -0.3107(5) 0.6372(4) 0.100(3) Uani 1 1 d . U . . .
F19 F 0.5767(5) 0.1843(7) 0.5440(5) 0.115(4) Uani 1 1 d . U . . .
F20 F 0.6371(5) 0.1692(5) 0.6200(4) 0.107(4) Uani 1 1 d . U . . .
F21 F 0.5427(9) 0.1329(10) 0.6228(9) 0.209(8) Uani 1 1 d . U . . .
F22 F 0.5136(5) 0.2515(6) 0.5991(5) 0.103(4) Uani 1 1 d . U . . .
F23 F 0.6054(5) 0.2879(5) 0.5942(6) 0.121(4) Uani 1 1 d . U . . .
F24 F 0.5719(8) 0.2335(11) 0.6761(6) 0.193(7) Uani 1 1 d . U . . .
P1 P 0.63764(14) 0.50509(15) 0.70496(13) 0.0303(7) Uani 1 1 d . . . . .
P0C P 0.61165(13) 0.00004(15) 0.34651(13) 0.0277(7) Uani 1 1 d . . . . .
Sb1 Sb 0.66652(5) 0.31483(5) 0.42891(5) 0.0613(3) Uani 1 1 d . U . . .
Sb2 Sb 0.72250(5) 0.75378(6) 0.46403(5) 0.0686(3) Uani 1 1 d . U . . .
Sb3 Sb 0.51960(4) -0.23647(5) 0.59770(4) 0.0487(2) Uani 1 1 d . U . . .
Sb4 Sb 0.57358(6) 0.21027(6) 0.61057(5) 0.0750(4) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 F1 2.432(11) . ?
Ag1 C29 2.549(15) . ?
Ag1 C52 2.709(16) . ?
Ag1 Cl1 2.735(5) . ?
Ag1 Au1 2.8212(15) . ?
Ag2 F7 2.444(11) . ?
Ag2 C12 2.584(18) . ?
Ag2 C49 2.600(18) . ?
Ag2 Cl1 2.712(5) . ?
Ag2 Au1 2.8015(16) . ?
Ag3 F13 2.496(9) . ?
Ag3 C68 2.573(15) . ?
Ag3 C109 2.592(13) . ?
Ag3 Cl2 2.678(4) . ?
Ag3 Au2 2.8488(14) . ?
Ag4 F19 2.406(12) . ?
Ag4 C89 2.449(16) . ?
Ag4 C112 2.684(15) . ?
Ag4 Cl2 2.715(4) . ?
Ag4 Au2 2.8235(14) . ?
Au1 P1 2.246(4) . ?
Au1 Cl1 2.316(4) . ?
Au2 P0C 2.247(4) . ?
Au2 Cl2 2.331(4) . ?
C1 C2 1.379(18) . ?
C1 C6 1.390(17) . ?
C1 P1 1.846(13) . ?
C2 C3 1.39(2) . ?
C3 C4 1.35(2) . ?
C3 C13 1.51(2) . ?
C4 C5 1.34(2) . ?
C5 C6 1.382(19) . ?
C6 C7 1.53(2) . ?
C7 C8 1.35(2) . ?
C7 C12 1.37(2) . ?
C8 C9 1.366(19) . ?
C9 C10 1.41(2) . ?
C10 C11 1.37(2) . ?
C10 C17 1.51(2) . ?
C11 C12 1.39(2) . ?
C13 C14 1.458(18) . ?
C13 C16 1.478(18) . ?
C13 C15 1.558(19) . ?
C17 C18 1.45(2) . ?
C17 C20 1.50(2) . ?
C17 C19 1.53(2) . ?
C21 C26 1.384(18) . ?
C21 C22 1.40(2) . ?
C21 P1 1.834(14) . ?
C22 C23 1.39(2) . ?
C23 C24 1.38(2) . ?
C23 C33 1.48(2) . ?
C24 C25 1.37(2) . ?
C25 C26 1.37(2) . ?
C26 C27 1.517(19) . ?
C27 C32 1.38(2) . ?
C27 C28 1.40(2) . ?
C28 C29 1.38(2) . ?
C29 C30 1.43(2) . ?
C30 C31 1.35(3) . ?
C30 C37 1.50(2) . ?
C31 C32 1.34(2) . ?
C33 C34 1.49(2) . ?
C33 C34B 1.51(2) . ?
C33 C35B 1.52(2) . ?
C33 C36 1.52(2) . ?
C33 C36B 1.53(2) . ?
C33 C35 1.55(2) . ?
C37 C39 1.503(18) . ?
C37 C40 1.506(17) . ?
C37 C38 1.539(17) . ?
C41 C46 1.373(19) . ?
C41 C42 1.409(19) . ?
C41 P1 1.815(14) . ?
C42 C43 1.402(19) . ?
C43 C44 1.34(2) . ?
C43 C53 1.53(2) . ?
C44 C45 1.40(2) . ?
C45 C46 1.36(2) . ?
C46 C47 1.505(19) . ?
C47 C52 1.38(2) . ?
C47 C48 1.392(18) . ?
C48 C49 1.44(2) . ?
C49 C50 1.39(2) . ?
C50 C51 1.40(2) . ?
C50 C57 1.49(2) . ?
C51 C52 1.41(2) . ?
C53 C54 1.46(3) . ?
C53 C55 1.51(2) . ?
C53 C56 1.53(3) . ?
C57 C59 1.49(3) . ?
C57 C60 1.53(3) . ?
C57 C58 1.57(2) . ?
C61 C66 1.410(16) . ?
C61 C62 1.411(17) . ?
C61 P0C 1.804(12) . ?
C62 C63 1.358(19) . ?
C63 C64 1.42(2) . ?
C63 C73 1.53(2) . ?
C64 C65 1.41(2) . ?
C65 C66 1.384(17) . ?
C66 C67 1.480(17) . ?
C67 C72 1.386(18) . ?
C67 C68 1.41(2) . ?
C68 C69 1.384(19) . ?
C69 C70 1.42(2) . ?
C70 C71 1.35(2) . ?
C70 C77 1.55(2) . ?
C71 C72 1.42(2) . ?
C73 C74 1.48(2) . ?
C73 C76 1.52(2) . ?
C73 C75 1.53(3) . ?
C77 C78 1.49(3) . ?
C77 C80 1.52(2) . ?
C77 C79 1.58(3) . ?
C81 C82 1.365(19) . ?
C81 C86 1.420(17) . ?
C81 P0C 1.814(12) . ?
C82 C83 1.41(2) . ?
C83 C84 1.37(2) . ?
C83 C93 1.51(2) . ?
C84 C85 1.40(2) . ?
C85 C86 1.38(2) . ?
C86 C87 1.466(19) . ?
C87 C88 1.400(19) . ?
C87 C92 1.44(2) . ?
C88 C89 1.43(2) . ?
C89 C90 1.42(2) . ?
C90 C91 1.33(2) . ?
C90 C97 1.59(2) . ?
C91 C92 1.35(2) . ?
C93 C94 1.45(3) . ?
C93 C96 1.48(3) . ?
C93 C95 1.69(4) . ?
C97 C100 1.51(3) . ?
C97 C99 1.53(3) . ?
C97 C98 1.55(3) . ?
C101 C102 1.393(17) . ?
C101 C106 1.426(16) . ?
C101 P0C 1.825(12) . ?
C102 C103 1.355(19) . ?
C103 C104 1.46(2) . ?
C103 C113 1.500(19) . ?
C104 C105 1.37(2) . ?
C105 C106 1.406(17) . ?
C106 C107 1.491(18) . ?
C107 C108 1.386(19) . ?
C107 C112 1.401(19) . ?
C108 C109 1.388(19) . ?
C109 C110 1.409(19) . ?
C110 C111 1.411(18) . ?
C110 C117 1.501(19) . ?
C111 C112 1.400(19) . ?
C113 C115 1.50(2) . ?
C113 C114 1.50(2) . ?
C113 C116 1.56(2) . ?
C117 C118 1.52(2) . ?
C117 C119 1.54(2) . ?
C117 C120 1.59(2) . ?
C200 Cl3 1.675(19) . ?
C200 Cl4 1.79(2) . ?
F1 Sb1 1.857(11) . ?
F2 Sb1 1.844(10) . ?
F3 Sb1 1.844(12) . ?
F4 Sb1 1.864(11) . ?
F5 Sb1 1.833(11) . ?
F6 Sb1 1.855(12) . ?
F7 Sb2 1.869(11) . ?
F8 Sb2 1.849(11) . ?
F9 Sb2 1.913(13) . ?
F10 Sb2 1.862(13) . ?
F11 Sb2 1.791(14) . ?
F12 Sb2 1.872(11) . ?
F13 Sb3 1.876(9) . ?
F14 Sb3 1.867(9) . ?
F15 Sb3 1.864(10) . ?
F16 Sb3 1.861(9) . ?
F17 Sb3 1.860(10) . ?
F18 Sb3 1.876(11) . ?
F19 Sb4 1.866(12) . ?
F20 Sb4 1.884(12) . ?
F21 Sb4 1.783(18) . ?
F22 Sb4 1.810(12) . ?
F23 Sb4 1.823(12) . ?
F24 Sb4 1.824(16) . ?

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
F1 Ag1 C29 113.4(5) . . ?
F1 Ag1 C52 90.3(4) . . ?
C29 Ag1 C52 130.0(5) . . ?
F1 Ag1 Cl1 102.6(4) . . ?
C29 Ag1 Cl1 112.7(4) . . ?
C52 Ag1 Cl1 103.2(3) . . ?
F1 Ag1 Au1 148.1(4) . . ?
C29 Ag1 Au1 94.0(4) . . ?
C52 Ag1 Au1 83.7(3) . . ?
Cl1 Ag1 Au1 49.25(9) . . ?
F7 Ag2 C12 97.3(5) . . ?
F7 Ag2 C49 112.8(5) . . ?
C12 Ag2 C49 119.3(5) . . ?
F7 Ag2 Cl1 100.0(4) . . ?
C12 Ag2 Cl1 117.4(4) . . ?
C49 Ag2 Cl1 107.9(3) . . ?
F7 Ag2 Au1 147.1(3) . . ?
C12 Ag2 Au1 88.8(4) . . ?
C49 Ag2 Au1 91.6(3) . . ?
Cl1 Ag2 Au1 49.65(9) . . ?
F13 Ag3 C68 98.6(4) . . ?
F13 Ag3 C109 112.3(4) . . ?
C68 Ag3 C109 120.4(4) . . ?
F13 Ag3 Cl2 101.5(3) . . ?
C68 Ag3 Cl2 115.2(3) . . ?
C109 Ag3 Cl2 107.0(3) . . ?
F13 Ag3 Au2 148.8(2) . . ?
C68 Ag3 Au2 86.4(3) . . ?
C109 Ag3 Au2 90.7(3) . . ?
Cl2 Ag3 Au2 49.78(9) . . ?
F19 Ag4 C89 109.3(5) . . ?
F19 Ag4 C112 83.8(4) . . ?
C89 Ag4 C112 130.5(5) . . ?
F19 Ag4 Cl2 112.0(4) . . ?
C89 Ag4 Cl2 115.3(4) . . ?
C112 Ag4 Cl2 101.6(3) . . ?
F19 Ag4 Au2 155.5(4) . . ?
C89 Ag4 Au2 94.6(3) . . ?
C112 Ag4 Au2 84.8(3) . . ?
Cl2 Ag4 Au2 49.74(9) . . ?
P1 Au1 Cl1 175.35(16) . . ?
P1 Au1 Ag2 115.63(9) . . ?
Cl1 Au1 Ag2 63.18(11) . . ?
P1 Au1 Ag1 113.36(9) . . ?
Cl1 Au1 Ag1 63.43(12) . . ?
Ag2 Au1 Ag1 103.78(6) . . ?
P0C Au2 Cl2 174.02(15) . . ?
P0C Au2 Ag4 113.82(9) . . ?
Cl2 Au2 Ag4 62.71(11) . . ?
P0C Au2 Ag3 116.41(9) . . ?
Cl2 Au2 Ag3 61.30(11) . . ?
Ag4 Au2 Ag3 102.94(5) . . ?
C2 C1 C6 120.2(13) . . ?
C2 C1 P1 116.7(10) . . ?
C6 C1 P1 123.0(10) . . ?
C1 C2 C3 121.9(14) . . ?
C4 C3 C2 116.1(15) . . ?
C4 C3 C13 124.7(15) . . ?
C2 C3 C13 119.3(15) . . ?
C5 C4 C3 122.9(15) . . ?
C4 C5 C6 122.1(14) . . ?
C5 C6 C1 116.4(13) . . ?
C5 C6 C7 118.3(12) . . ?
C1 C6 C7 125.2(12) . . ?
C8 C7 C12 120.3(14) . . ?
C8 C7 C6 120.2(13) . . ?
C12 C7 C6 119.5(13) . . ?
C7 C8 C9 121.5(15) . . ?
C8 C9 C10 120.6(14) . . ?
C11 C10 C9 115.4(15) . . ?
C11 C10 C17 122.5(17) . . ?
C9 C10 C17 122.0(16) . . ?
C10 C11 C12 124.2(16) . . ?
C7 C12 C11 117.7(15) . . ?
C7 C12 Ag2 103.8(10) . . ?
C11 C12 Ag2 83.6(11) . . ?
C14 C13 C16 116.6(16) . . ?
C14 C13 C3 110.9(17) . . ?
C16 C13 C3 111.0(19) . . ?
C14 C13 C15 106.4(15) . . ?
C16 C13 C15 104.9(14) . . ?
C3 C13 C15 106.3(18) . . ?
C18 C17 C20 107(2) . . ?
C18 C17 C10 115.6(19) . . ?
C20 C17 C10 111(2) . . ?
C18 C17 C19 110(3) . . ?
C20 C17 C19 107(2) . . ?
C10 C17 C19 106(2) . . ?
C26 C21 C22 120.4(13) . . ?
C26 C21 P1 120.5(10) . . ?
C22 C21 P1 118.7(10) . . ?
C23 C22 C21 123.2(14) . . ?
C24 C23 C22 113.6(14) . . ?
C24 C23 C33 125.9(15) . . ?
C22 C23 C33 120.1(14) . . ?
C25 C24 C23 124.1(14) . . ?
C26 C25 C24 121.8(14) . . ?
C25 C26 C21 116.7(13) . . ?
C25 C26 C27 118.4(12) . . ?
C21 C26 C27 124.3(12) . . ?
C32 C27 C28 116.1(14) . . ?
C32 C27 C26 122.9(14) . . ?
C28 C27 C26 120.4(13) . . ?
C29 C28 C27 122.7(15) . . ?
C28 C29 C30 119.0(16) . . ?
C28 C29 Ag1 95.3(9) . . ?
C30 C29 Ag1 91.4(10) . . ?
C31 C30 C29 115.7(15) . . ?
C31 C30 C37 122.1(17) . . ?
C29 C30 C37 121.8(17) . . ?
C32 C31 C30 125.7(17) . . ?
C31 C32 C27 120.8(16) . . ?
C23 C33 C34 115(2) . . ?
C23 C33 C34B 119(2) . . ?
C23 C33 C35B 103(2) . . ?
C34B C33 C35B 105(3) . . ?
C23 C33 C36 111(2) . . ?
C34 C33 C36 110.8(18) . . ?
C23 C33 C36B 111(2) . . ?
C34B C33 C36B 119(3) . . ?
C35B C33 C36B 96(3) . . ?
C23 C33 C35 108(2) . . ?
C34 C33 C35 106.3(17) . . ?
C36 C33 C35 104.0(16) . . ?
C30 C37 C39 113.1(17) . . ?
C30 C37 C40 111.4(15) . . ?
C39 C37 C40 109.2(14) . . ?
C30 C37 C38 108.7(14) . . ?
C39 C37 C38 106.7(13) . . ?
C40 C37 C38 107.5(14) . . ?
C46 C41 C42 118.6(12) . . ?
C46 C41 P1 123.3(10) . . ?
C42 C41 P1 118.1(10) . . ?
C43 C42 C41 122.9(14) . . ?
C44 C43 C42 116.0(14) . . ?
C44 C43 C53 124.9(15) . . ?
C42 C43 C53 119.0(15) . . ?
C43 C44 C45 122.4(14) . . ?
C46 C45 C44 121.6(15) . . ?
C45 C46 C41 118.6(14) . . ?
C45 C46 C47 116.5(13) . . ?
C41 C46 C47 124.8(12) . . ?
C52 C47 C48 119.0(11) . . ?
C52 C47 C46 118.0(12) . . ?
C48 C47 C46 123.0(12) . . ?
C47 C48 C49 119.2(12) . . ?
C50 C49 C48 122.8(13) . . ?
C50 C49 Ag2 97.9(11) . . ?
C48 C49 Ag2 96.8(9) . . ?
C49 C50 C51 115.5(13) . . ?
C49 C50 C57 124.3(14) . . ?
C51 C50 C57 119.7(13) . . ?
C50 C51 C52 122.6(13) . . ?
C47 C52 C51 120.7(12) . . ?
C47 C52 Ag1 107.3(10) . . ?
C51 C52 Ag1 95.5(10) . . ?
C54 C53 C55 112(2) . . ?
C54 C53 C43 108.7(16) . . ?
C55 C53 C43 110.3(14) . . ?
C54 C53 C56 110.3(19) . . ?
C55 C53 C56 104.9(16) . . ?
C43 C53 C56 110.6(17) . . ?
C50 C57 C59 112.0(16) . . ?
C50 C57 C60 108.3(15) . . ?
C59 C57 C60 108.4(18) . . ?
C50 C57 C58 111.6(14) . . ?
C59 C57 C58 107.7(16) . . ?
C60 C57 C58 108.7(15) . . ?
C66 C61 C62 118.3(11) . . ?
C66 C61 P0C 123.1(9) . . ?
C62 C61 P0C 118.6(9) . . ?
C63 C62 C61 123.5(12) . . ?
C62 C63 C64 118.6(14) . . ?
C62 C63 C73 124.4(14) . . ?
C64 C63 C73 116.9(13) . . ?
C65 C64 C63 118.3(13) . . ?
C66 C65 C64 122.6(13) . . ?
C65 C66 C61 118.5(11) . . ?
C65 C66 C67 117.4(11) . . ?
C61 C66 C67 124.1(11) . . ?
C72 C67 C68 117.3(12) . . ?
C72 C67 C66 122.5(13) . . ?
C68 C67 C66 120.2(12) . . ?
C69 C68 C67 122.6(13) . . ?
C69 C68 Ag3 82.8(9) . . ?
C67 C68 Ag3 104.0(8) . . ?
C68 C69 C70 119.7(13) . . ?
C71 C70 C69 117.5(14) . . ?
C71 C70 C77 123.7(15) . . ?
C69 C70 C77 118.8(14) . . ?
C70 C71 C72 123.5(14) . . ?
C67 C72 C71 119.4(13) . . ?
C74 C73 C76 118.0(18) . . ?
C74 C73 C75 102.4(18) . . ?
C76 C73 C75 99.9(17) . . ?
C74 C73 C63 110.6(13) . . ?
C76 C73 C63 113.0(14) . . ?
C75 C73 C63 112.0(17) . . ?
C78 C77 C80 113.2(19) . . ?
C78 C77 C70 111.4(14) . . ?
C80 C77 C70 109.5(13) . . ?
C78 C77 C79 108.6(18) . . ?
C80 C77 C79 106.0(16) . . ?
C70 C77 C79 107.7(15) . . ?
C82 C81 C86 120.8(12) . . ?
C82 C81 P0C 119.9(9) . . ?
C86 C81 P0C 119.3(10) . . ?
C81 C82 C83 122.2(13) . . ?
C84 C83 C82 116.9(13) . . ?
C84 C83 C93 120.2(13) . . ?
C82 C83 C93 122.9(14) . . ?
C83 C84 C85 121.1(13) . . ?
C86 C85 C84 122.1(14) . . ?
C85 C86 C81 116.5(13) . . ?
C85 C86 C87 118.3(12) . . ?
C81 C86 C87 125.2(12) . . ?
C88 C87 C92 117.8(13) . . ?
C88 C87 C86 123.2(13) . . ?
C92 C87 C86 118.9(13) . . ?
C87 C88 C89 118.1(13) . . ?
C90 C89 C88 120.8(15) . . ?
C90 C89 Ag4 95.3(11) . . ?
C88 C89 Ag4 96.1(9) . . ?
C91 C90 C89 119.2(15) . . ?
C91 C90 C97 121.6(16) . . ?
C89 C90 C97 119.2(17) . . ?
C90 C91 C92 121.9(16) . . ?
C91 C92 C87 121.9(15) . . ?
C94 C93 C96 124(2) . . ?
C94 C93 C83 110.5(17) . . ?
C96 C93 C83 118.3(16) . . ?
C94 C93 C95 96(2) . . ?
C96 C93 C95 95.9(19) . . ?
C83 C93 C95 105.6(14) . . ?
C100 C97 C99 112(2) . . ?
C100 C97 C98 106(2) . . ?
C99 C97 C98 111(2) . . ?
C100 C97 C90 105.8(19) . . ?
C99 C97 C90 110.8(17) . . ?
C98 C97 C90 111.5(16) . . ?
C102 C101 C106 119.5(11) . . ?
C102 C101 P0C 119.5(10) . . ?
C106 C101 P0C 121.0(9) . . ?
C103 C102 C101 124.4(13) . . ?
C102 C103 C104 115.8(12) . . ?
C102 C103 C113 122.6(13) . . ?
C104 C103 C113 121.6(12) . . ?
C105 C104 C103 121.2(13) . . ?
C104 C105 C106 121.6(13) . . ?
C105 C106 C101 117.5(11) . . ?
C105 C106 C107 117.3(11) . . ?
C101 C106 C107 125.1(11) . . ?
C108 C107 C112 117.8(12) . . ?
C108 C107 C106 123.0(12) . . ?
C112 C107 C106 118.7(12) . . ?
C107 C108 C109 122.2(13) . . ?
C108 C109 C110 120.9(13) . . ?
C108 C109 Ag3 96.5(8) . . ?
C110 C109 Ag3 97.6(9) . . ?
C111 C110 C109 116.8(12) . . ?
C111 C110 C117 120.5(13) . . ?
C109 C110 C117 122.6(13) . . ?
C112 C111 C110 121.2(13) . . ?
C111 C112 C107 120.5(13) . . ?
C111 C112 Ag4 93.6(10) . . ?
C107 C112 Ag4 102.4(9) . . ?
C115 C113 C103 107.8(13) . . ?
C115 C113 C114 107.6(15) . . ?
C103 C113 C114 111.8(13) . . ?
C115 C113 C116 107.4(15) . . ?
C103 C113 C116 113.4(14) . . ?
C114 C113 C116 108.5(15) . . ?
C110 C117 C118 114.0(14) . . ?
C110 C117 C119 110.0(13) . . ?
C118 C117 C119 108.7(13) . . ?
C110 C117 C120 107.4(13) . . ?
C118 C117 C120 108.1(14) . . ?
C119 C117 C120 108.5(15) . . ?
Cl3 C200 Cl4 109.4(10) . . ?
Au1 Cl1 Ag2 67.17(11) . . ?
Au1 Cl1 Ag1 67.32(11) . . ?
Ag2 Cl1 Ag1 108.62(16) . . ?
Au2 Cl2 Ag3 68.92(11) . . ?
Au2 Cl2 Ag4 67.55(11) . . ?
Ag3 Cl2 Ag4 110.73(16) . . ?
Sb1 F1 Ag1 174.0(7) . . ?
Sb2 F7 Ag2 162.9(8) . . ?
Sb3 F13 Ag3 163.5(5) . . ?
Sb4 F19 Ag4 161.3(9) . . ?
C41 P1 C21 105.6(6) . . ?
C41 P1 C1 104.6(6) . . ?
C21 P1 C1 107.0(6) . . ?
C41 P1 Au1 112.7(4) . . ?
C21 P1 Au1 111.4(4) . . ?
C1 P1 Au1 114.7(4) . . ?
C61 P0C C81 106.4(6) . . ?
C61 P0C C101 106.0(5) . . ?
C81 P0C C101 102.5(5) . . ?
C61 P0C Au2 114.0(4) . . ?
C81 P0C Au2 114.0(4) . . ?
C101 P0C Au2 113.0(4) . . ?
F5 Sb1 F2 90.8(5) . . ?
F5 Sb1 F3 173.9(8) . . ?
F2 Sb1 F3 85.5(6) . . ?
F5 Sb1 F6 85.8(7) . . ?
F2 Sb1 F6 89.1(6) . . ?
F3 Sb1 F6 89.3(7) . . ?
F5 Sb1 F1 89.4(7) . . ?
F2 Sb1 F1 88.6(5) . . ?
F3 Sb1 F1 95.4(8) . . ?
F6 Sb1 F1 174.6(8) . . ?
F5 Sb1 F4 88.1(6) . . ?
F2 Sb1 F4 176.8(6) . . ?
F3 Sb1 F4 95.9(7) . . ?
F6 Sb1 F4 93.9(6) . . ?
F1 Sb1 F4 88.3(6) . . ?
F11 Sb2 F8 92.3(7) . . ?
F11 Sb2 F10 91.8(8) . . ?
F8 Sb2 F10 175.6(6) . . ?
F11 Sb2 F7 92.3(7) . . ?
F8 Sb2 F7 90.5(5) . . ?
F10 Sb2 F7 87.7(5) . . ?
F11 Sb2 F12 93.5(7) . . ?
F8 Sb2 F12 89.7(5) . . ?
F10 Sb2 F12 91.7(5) . . ?
F7 Sb2 F12 174.2(6) . . ?
F11 Sb2 F9 177.7(7) . . ?
F8 Sb2 F9 88.1(5) . . ?
F10 Sb2 F9 87.7(6) . . ?
F7 Sb2 F9 85.5(6) . . ?
F12 Sb2 F9 88.8(6) . . ?
F17 Sb3 F16 90.6(5) . . ?
F17 Sb3 F15 178.1(5) . . ?
F16 Sb3 F15 89.1(5) . . ?
F17 Sb3 F14 89.9(5) . . ?
F16 Sb3 F14 178.4(4) . . ?
F15 Sb3 F14 90.3(4) . . ?
F17 Sb3 F18 92.6(6) . . ?
F16 Sb3 F18 93.0(5) . . ?
F15 Sb3 F18 89.3(6) . . ?
F14 Sb3 F18 88.5(5) . . ?
F17 Sb3 F13 89.6(5) . . ?
F16 Sb3 F13 90.6(4) . . ?
F15 Sb3 F13 88.5(5) . . ?
F14 Sb3 F13 87.9(4) . . ?
F18 Sb3 F13 175.8(5) . . ?
F21 Sb4 F22 91.7(8) . . ?
F21 Sb4 F23 176.6(10) . . ?
F22 Sb4 F23 88.3(6) . . ?
F21 Sb4 F24 92.0(11) . . ?
F22 Sb4 F24 91.5(7) . . ?
F23 Sb4 F24 91.4(10) . . ?
F21 Sb4 F19 87.3(9) . . ?
F22 Sb4 F19 90.2(6) . . ?
F23 Sb4 F19 89.3(7) . . ?
F24 Sb4 F19 178.2(7) . . ?
F21 Sb4 F20 90.1(8) . . ?
F22 Sb4 F20 177.5(6) . . ?
F23 Sb4 F20 89.8(5) . . ?
F24 Sb4 F20 90.2(7) . . ?
F19 Sb4 F20 88.1(5) . . ?

_refine_diff_density_max         2.825
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.118




####################################################################### 
# 
# 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_jcm0618a_a
_database_code_depnum_ccdc_archive 'CCDC 2078527'
loop_
_audit_author_name
_audit_author_address
'Jesus Campos'
;CSIC
Spain
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H75 Au Cl P'
_chemical_formula_weight         1059.58

_vrf_PLAT910_jcm0618a_a          
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)
RESPONSE: To avoid other particular problems related to 
the X-Ray instrument employed the theta minimum value is 
set up to 4.0. This is the reason for the missing 
reflections at low angle. However this does not present
 a problem due to the high number of independent
 reflectionn collected and the high data/parameter ratio.


;

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'
H H 0.0000 0.0000 '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'
Cl Cl 0.1484 0.1585 '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'

_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                   12.6896(7)
_cell_length_b                   13.4566(7)
_cell_length_c                   16.6155(5)
_cell_angle_alpha                81.5390(10)
_cell_angle_beta                 87.6560(10)
_cell_angle_gamma                83.2320(10)
_cell_volume                     2786.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    3554
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      25.40

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_F_000             1092
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    2.751
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5099
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;

_exptl_special_details           
; 
 ? 
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            73945
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.928
_diffrn_reflns_theta_max         29.509
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             15328
_reflns_number_gt                13208
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0681P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15328
_refine_ls_number_parameters     617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0932
_refine_ls_wR_factor_gt          0.0868
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_restrained_S_all      0.955
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.67026(2) 0.46488(2) 0.24649(2) 0.03618(4) Uani 1 1 d . . . . .
Cl1 Cl 0.63818(8) 0.63866(6) 0.22855(6) 0.0584(2) Uani 1 1 d . . . . .
P1 P 0.69789(5) 0.29637(5) 0.26399(4) 0.02960(12) Uani 1 1 d . . . . .
C1 C 0.8368(2) 0.24121(18) 0.25904(14) 0.0319(5) Uani 1 1 d . . . . .
C2 C 0.8621(2) 0.15436(19) 0.22189(15) 0.0349(5) Uani 1 1 d . . . . .
H2 H 0.8063 0.1257 0.2004 0.042 Uiso 1 1 calc R U . . .
C3 C 0.9654(2) 0.10810(19) 0.21504(14) 0.0360(5) Uani 1 1 d . . . . .
C4 C 1.0451(2) 0.1526(2) 0.24545(17) 0.0428(6) Uani 1 1 d . . . . .
H4 H 1.1167 0.1238 0.2406 0.051 Uiso 1 1 calc R U . . .
C5 C 1.0224(2) 0.2395(2) 0.28334(18) 0.0441(6) Uani 1 1 d . . . . .
H5 H 1.0787 0.2680 0.3042 0.053 Uiso 1 1 calc R U . . .
C6 C 0.9183(2) 0.2849(2) 0.29091(15) 0.0356(5) Uani 1 1 d . . . . .
C7 C 0.8985(2) 0.3773(2) 0.33160(16) 0.0364(5) Uani 1 1 d . . . . .
C8 C 0.8469(3) 0.3766(2) 0.40668(17) 0.0460(7) Uani 1 1 d . . . . .
H8 H 0.8225 0.3159 0.4335 0.055 Uiso 1 1 calc R U . . .
C9 C 0.8303(3) 0.4637(2) 0.44334(18) 0.0473(7) Uani 1 1 d . . . . .
H9 H 0.7950 0.4612 0.4950 0.057 Uiso 1 1 calc R U . . .
C10 C 0.8640(2) 0.5539(2) 0.40659(19) 0.0440(6) Uani 1 1 d . . . . .
C11 C 0.9143(3) 0.5540(2) 0.3305(2) 0.0521(7) Uani 1 1 d . . . . .
H11 H 0.9372 0.6151 0.3031 0.062 Uiso 1 1 calc R U . . .
C12 C 0.9319(3) 0.4681(2) 0.2940(2) 0.0500(7) Uani 1 1 d . . . . .
H12 H 0.9673 0.4707 0.2424 0.060 Uiso 1 1 calc R U . . .
C13 C 0.9863(3) 0.0120(2) 0.17468(17) 0.0468(7) Uani 1 1 d . . . . .
C14 C 0.9490(5) -0.0756(3) 0.2342(3) 0.0900(16) Uani 1 1 d . . . . .
H14A H 0.9868 -0.0822 0.2854 0.135 Uiso 1 1 calc R U . . .
H14B H 0.9638 -0.1384 0.2105 0.135 Uiso 1 1 calc R U . . .
H14C H 0.8725 -0.0622 0.2450 0.135 Uiso 1 1 calc R U . . .
C15 C 0.9230(4) 0.0255(4) 0.0963(2) 0.0817(14) Uani 1 1 d . . . . .
H15A H 0.8469 0.0332 0.1098 0.123 Uiso 1 1 calc R U . . .
H15B H 0.9406 -0.0340 0.0686 0.123 Uiso 1 1 calc R U . . .
H15C H 0.9413 0.0859 0.0604 0.123 Uiso 1 1 calc R U . . .
C16 C 1.1032(3) -0.0134(3) 0.1535(3) 0.0767(12) Uani 1 1 d . . . . .
H16A H 1.1270 0.0410 0.1136 0.115 Uiso 1 1 calc R U . . .
H16B H 1.1131 -0.0769 0.1305 0.115 Uiso 1 1 calc R U . . .
H16C H 1.1448 -0.0207 0.2029 0.115 Uiso 1 1 calc R U . . .
C17 C 0.8452(3) 0.6518(3) 0.4453(2) 0.0554(8) Uani 1 1 d . . . . .
C18 C 0.8265(5) 0.6304(4) 0.5366(3) 0.106(2) Uani 1 1 d . . . . .
H18A H 0.7621 0.5967 0.5483 0.159 Uiso 1 1 calc R U . . .
H18B H 0.8181 0.6942 0.5593 0.159 Uiso 1 1 calc R U . . .
H18C H 0.8874 0.5866 0.5613 0.159 Uiso 1 1 calc R U . . .
C19 C 0.7534(5) 0.7184(4) 0.4026(4) 0.125(3) Uani 1 1 d . . . . .
H19A H 0.6874 0.6881 0.4170 0.187 Uiso 1 1 calc R U . . .
H19B H 0.7660 0.7246 0.3436 0.187 Uiso 1 1 calc R U . . .
H19C H 0.7475 0.7856 0.4197 0.187 Uiso 1 1 calc R U . . .
C20 C 0.9444(4) 0.7091(3) 0.4327(3) 0.0877(15) Uani 1 1 d . . . . .
H20A H 0.9368 0.7642 0.4658 0.132 Uiso 1 1 calc R U . . .
H20B H 0.9518 0.7372 0.3752 0.132 Uiso 1 1 calc R U . . .
H20C H 1.0075 0.6624 0.4491 0.132 Uiso 1 1 calc R U . . .
C21 C 0.6370(2) 0.23510(18) 0.18909(14) 0.0306(5) Uani 1 1 d . . . . .
C22 C 0.5988(2) 0.14214(19) 0.21399(15) 0.0352(5) Uani 1 1 d . . . . .
H22 H 0.5999 0.1154 0.2702 0.042 Uiso 1 1 calc R U . . .
C23 C 0.5593(2) 0.0873(2) 0.15999(17) 0.0407(6) Uani 1 1 d . . . . .
C24 C 0.5562(3) 0.1323(3) 0.07847(19) 0.0587(9) Uani 1 1 d . . . . .
H24 H 0.5284 0.0979 0.0395 0.070 Uiso 1 1 calc R U . . .
C25 C 0.5920(3) 0.2240(3) 0.05319(18) 0.0592(9) Uani 1 1 d . . . . .
H25 H 0.5870 0.2522 -0.0026 0.071 Uiso 1 1 calc R U . . .
C26 C 0.6357(2) 0.2774(2) 0.10710(16) 0.0395(6) Uani 1 1 d . . . . .
C27 C 0.6792(3) 0.3739(2) 0.07520(16) 0.0415(6) Uani 1 1 d . . . . .
C28 C 0.6122(3) 0.4625(2) 0.05842(19) 0.0493(7) Uani 1 1 d . . . . .
H28 H 0.5378 0.4612 0.0667 0.059 Uiso 1 1 calc R U . . .
C29 C 0.6515(3) 0.5540(3) 0.0295(2) 0.0542(8) Uani 1 1 d . . . . .
H29 H 0.6035 0.6138 0.0178 0.065 Uiso 1 1 calc R U . . .
C30 C 0.7592(3) 0.5588(3) 0.0177(2) 0.0547(8) Uani 1 1 d . . . . .
C31 C 0.8258(3) 0.4698(3) 0.0333(2) 0.0640(10) Uani 1 1 d . . . . .
H31 H 0.9001 0.4712 0.0251 0.077 Uiso 1 1 calc R U . . .
C32 C 0.7869(3) 0.3781(3) 0.0608(2) 0.0573(8) Uani 1 1 d . . . . .
H32 H 0.8346 0.3178 0.0697 0.069 Uiso 1 1 calc R U . . .
C33 C 0.5222(3) -0.0167(2) 0.1860(2) 0.0560(8) Uani 1 1 d . . . . .
C34 C 0.5762(6) -0.0905(3) 0.1312(3) 0.123(3) Uani 1 1 d . . . . .
H34A H 0.6527 -0.1008 0.1405 0.185 Uiso 1 1 calc R U . . .
H34B H 0.5637 -0.0627 0.0740 0.185 Uiso 1 1 calc R U . . .
H34C H 0.5469 -0.1554 0.1438 0.185 Uiso 1 1 calc R U . . .
C35 C 0.4040(5) -0.0095(5) 0.1786(6) 0.170(4) Uani 1 1 d . . . . .
H35A H 0.3696 0.0386 0.2131 0.255 Uiso 1 1 calc R U . . .
H35B H 0.3801 -0.0762 0.1961 0.255 Uiso 1 1 calc R U . . .
H35C H 0.3850 0.0137 0.1218 0.255 Uiso 1 1 calc R U . . .
C36 C 0.5533(4) -0.0622(3) 0.2715(2) 0.0765(12) Uani 1 1 d . . . . .
H36A H 0.5195 -0.0191 0.3101 0.115 Uiso 1 1 calc R U . . .
H36B H 0.6306 -0.0673 0.2759 0.115 Uiso 1 1 calc R U . . .
H36C H 0.5299 -0.1298 0.2842 0.115 Uiso 1 1 calc R U . . .
C37 C 0.8062(4) 0.6593(3) -0.0096(3) 0.0793(13) Uani 1 1 d . . . . .
C38 C 0.8745(5) 0.6526(4) -0.0854(3) 0.1058(18) Uani 1 1 d . . . . .
H38A H 0.8291 0.6541 -0.1320 0.159 Uiso 1 1 calc R U . . .
H38B H 0.9222 0.5893 -0.0784 0.159 Uiso 1 1 calc R U . . .
H38C H 0.9165 0.7100 -0.0950 0.159 Uiso 1 1 calc R U . . .
C39 C 0.7226(5) 0.7479(4) -0.0197(6) 0.154(4) Uani 1 1 d . . . . .
H39A H 0.6800 0.7450 -0.0670 0.231 Uiso 1 1 calc R U . . .
H39B H 0.7563 0.8107 -0.0278 0.231 Uiso 1 1 calc R U . . .
H39C H 0.6766 0.7462 0.0293 0.231 Uiso 1 1 calc R U . . .
C40 C 0.8812(5) 0.6738(4) 0.0595(4) 0.114(2) Uani 1 1 d . . . . .
H40A H 0.9122 0.7376 0.0448 0.171 Uiso 1 1 calc R U . . .
H40B H 0.9381 0.6175 0.0662 0.171 Uiso 1 1 calc R U . . .
H40C H 0.8403 0.6754 0.1107 0.171 Uiso 1 1 calc R U . . .
C41 C 0.6503(2) 0.23743(18) 0.36321(14) 0.0342(5) Uani 1 1 d . . . . .
C42 C 0.7124(2) 0.15473(19) 0.40490(15) 0.0378(6) Uani 1 1 d . . . . .
H42 H 0.7730 0.1257 0.3777 0.045 Uiso 1 1 calc R U . . .
C43 C 0.6897(3) 0.1130(2) 0.48430(16) 0.0493(7) Uani 1 1 d . . . . .
C44 C 0.6003(4) 0.1587(3) 0.5215(2) 0.0686(11) Uani 1 1 d . . . . .
H44 H 0.5826 0.1333 0.5761 0.082 Uiso 1 1 calc R U . . .
C45 C 0.5371(4) 0.2392(3) 0.4820(2) 0.0660(11) Uani 1 1 d . . . . .
H45 H 0.4771 0.2683 0.5100 0.079 Uiso 1 1 calc R U . . .
C46 C 0.5589(2) 0.2797(2) 0.40123(16) 0.0427(6) Uani 1 1 d . . . . .
C47 C 0.4860(2) 0.3664(2) 0.36103(16) 0.0408(6) Uani 1 1 d . . . . .
C48 C 0.4730(3) 0.4574(3) 0.3928(2) 0.0535(8) Uani 1 1 d . . . . .
H48 H 0.5100 0.4635 0.4400 0.064 Uiso 1 1 calc R U . . .
C49 C 0.4062(3) 0.5394(2) 0.3557(2) 0.0534(8) Uani 1 1 d . . . . .
H49 H 0.3982 0.6007 0.3785 0.064 Uiso 1 1 calc R U . . .
C50 C 0.3513(2) 0.5341(2) 0.28683(19) 0.0452(6) Uani 1 1 d . . . . .
C51 C 0.3638(3) 0.4425(3) 0.2559(2) 0.0507(7) Uani 1 1 d . . . . .
H51 H 0.3266 0.4362 0.2088 0.061 Uiso 1 1 calc R U . . .
C52 C 0.4297(2) 0.3606(2) 0.29284(19) 0.0482(7) Uani 1 1 d . . . . .
H52 H 0.4364 0.2989 0.2707 0.058 Uiso 1 1 calc R U . . .
C53 C 0.7629(4) 0.0267(2) 0.52991(19) 0.0659(11) Uani 1 1 d . . . . .
C54 C 0.8107(6) 0.0638(4) 0.6009(3) 0.128(3) Uani 1 1 d . . . . .
H54A H 0.8480 0.1226 0.5806 0.193 Uiso 1 1 calc R U . . .
H54B H 0.8609 0.0097 0.6284 0.193 Uiso 1 1 calc R U . . .
H54C H 0.7541 0.0830 0.6394 0.193 Uiso 1 1 calc R U . . .
C55 C 0.6961(5) -0.0613(3) 0.5615(3) 0.109(2) Uani 1 1 d . . . . .
H55A H 0.6419 -0.0391 0.6008 0.163 Uiso 1 1 calc R U . . .
H55B H 0.7427 -0.1191 0.5880 0.163 Uiso 1 1 calc R U . . .
H55C H 0.6616 -0.0813 0.5156 0.163 Uiso 1 1 calc R U . . .
C56 C 0.8520(4) -0.0146(3) 0.4766(2) 0.0794(13) Uani 1 1 d . . . . .
H56A H 0.8221 -0.0393 0.4309 0.119 Uiso 1 1 calc R U . . .
H56B H 0.8955 -0.0703 0.5087 0.119 Uiso 1 1 calc R U . . .
H56C H 0.8961 0.0391 0.4559 0.119 Uiso 1 1 calc R U . . .
C57 C 0.2810(3) 0.6261(3) 0.2437(2) 0.0581(8) Uani 1 1 d . . . . .
C58 C 0.3341(6) 0.6563(6) 0.1594(4) 0.077(2) Uani 0.674(11) 1 d . . P A 1
H58A H 0.3374 0.6000 0.1278 0.116 Uiso 0.674(11) 1 calc R U P A 1
H58B H 0.4061 0.6724 0.1668 0.116 Uiso 0.674(11) 1 calc R U P A 1
H58C H 0.2923 0.7157 0.1303 0.116 Uiso 0.674(11) 1 calc R U P A 1
C59 C 0.2790(8) 0.7180(5) 0.2884(5) 0.098(4) Uani 0.674(11) 1 d . . P A 1
H59A H 0.2348 0.7754 0.2590 0.147 Uiso 0.674(11) 1 calc R U P A 1
H59B H 0.3514 0.7355 0.2914 0.147 Uiso 0.674(11) 1 calc R U P A 1
H59C H 0.2495 0.7019 0.3436 0.147 Uiso 0.674(11) 1 calc R U P A 1
C60 C 0.1733(5) 0.5999(6) 0.2364(8) 0.099(3) Uani 0.674(11) 1 d . . P A 1
H60A H 0.1766 0.5379 0.2114 0.149 Uiso 0.674(11) 1 calc R U P A 1
H60B H 0.1318 0.6552 0.2022 0.149 Uiso 0.674(11) 1 calc R U P A 1
H60C H 0.1394 0.5890 0.2905 0.149 Uiso 0.674(11) 1 calc R U P A 1
C58B C 0.1940(11) 0.6634(11) 0.3097(9) 0.080(5) Uani 0.326(11) 1 d . . P A 2
H58D H 0.2288 0.6945 0.3496 0.120 Uiso 0.326(11) 1 calc R U P A 2
H58E H 0.1606 0.6053 0.3375 0.120 Uiso 0.326(11) 1 calc R U P A 2
H58F H 0.1397 0.7131 0.2820 0.120 Uiso 0.326(11) 1 calc R U P A 2
C59B C 0.2054(15) 0.5999(12) 0.1769(11) 0.082(5) Uani 0.326(11) 1 d . . P A 2
H59D H 0.1551 0.6593 0.1590 0.123 Uiso 0.326(11) 1 calc R U P A 2
H59E H 0.1663 0.5436 0.2006 0.123 Uiso 0.326(11) 1 calc R U P A 2
H59F H 0.2486 0.5808 0.1301 0.123 Uiso 0.326(11) 1 calc R U P A 2
C60B C 0.3415(12) 0.7091(12) 0.2097(14) 0.101(8) Uani 0.326(11) 1 d . . P A 2
H60D H 0.3829 0.7277 0.2527 0.151 Uiso 0.326(11) 1 calc R U P A 2
H60E H 0.2925 0.7677 0.1875 0.151 Uiso 0.326(11) 1 calc R U P A 2
H60F H 0.3896 0.6878 0.1663 0.151 Uiso 0.326(11) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2308(6) . ?
Au1 Cl1 2.3030(8) . ?
P1 C41 1.833(3) . ?
P1 C21 1.832(2) . ?
P1 C1 1.834(3) . ?
C1 C2 1.399(3) . ?
C1 C6 1.405(4) . ?
C2 C3 1.392(4) . ?
C3 C4 1.382(4) . ?
C3 C13 1.534(4) . ?
C4 C5 1.403(4) . ?
C5 C6 1.397(4) . ?
C6 C7 1.492(4) . ?
C7 C8 1.384(4) . ?
C7 C12 1.392(4) . ?
C8 C9 1.390(4) . ?
C9 C10 1.382(4) . ?
C10 C11 1.393(4) . ?
C10 C17 1.540(4) . ?
C11 C12 1.373(4) . ?
C13 C16 1.522(5) . ?
C13 C14 1.530(5) . ?
C13 C15 1.535(5) . ?
C17 C18 1.516(6) . ?
C17 C19 1.515(6) . ?
C17 C20 1.544(6) . ?
C21 C22 1.395(3) . ?
C21 C26 1.397(3) . ?
C22 C23 1.385(4) . ?
C23 C24 1.400(4) . ?
C23 C33 1.527(4) . ?
C24 C25 1.368(5) . ?
C25 C26 1.397(4) . ?
C26 C27 1.488(4) . ?
C27 C28 1.380(4) . ?
C27 C32 1.384(5) . ?
C28 C29 1.395(4) . ?
C29 C30 1.381(5) . ?
C30 C31 1.379(5) . ?
C30 C37 1.543(5) . ?
C31 C32 1.390(5) . ?
C33 C35 1.501(6) . ?
C33 C36 1.511(5) . ?
C33 C34 1.530(6) . ?
C37 C39 1.494(7) . ?
C37 C38 1.507(7) . ?
C37 C40 1.568(8) . ?
C41 C42 1.397(4) . ?
C41 C46 1.400(4) . ?
C42 C43 1.389(4) . ?
C43 C44 1.392(5) . ?
C43 C53 1.526(4) . ?
C44 C45 1.370(5) . ?
C45 C46 1.401(4) . ?
C46 C47 1.493(4) . ?
C47 C52 1.380(4) . ?
C47 C48 1.392(4) . ?
C48 C49 1.393(5) . ?
C49 C50 1.379(5) . ?
C50 C51 1.393(4) . ?
C50 C57 1.540(5) . ?
C51 C52 1.385(4) . ?
C53 C56 1.512(6) . ?
C53 C54 1.520(6) . ?
C53 C55 1.554(6) . ?
C57 C60B 1.462(15) . ?
C57 C60 1.466(8) . ?
C57 C59 1.530(8) . ?
C57 C58 1.550(7) . ?
C57 C58B 1.614(13) . ?
C57 C59B 1.600(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 178.87(3) . . ?
C41 P1 C21 105.12(11) . . ?
C41 P1 C1 103.30(12) . . ?
C21 P1 C1 101.90(11) . . ?
C41 P1 Au1 113.45(8) . . ?
C21 P1 Au1 115.54(8) . . ?
C1 P1 Au1 115.97(8) . . ?
C2 C1 C6 119.4(2) . . ?
C2 C1 P1 119.1(2) . . ?
C6 C1 P1 121.46(19) . . ?
C3 C2 C1 122.8(3) . . ?
C4 C3 C2 117.2(2) . . ?
C4 C3 C13 123.2(3) . . ?
C2 C3 C13 119.6(3) . . ?
C3 C4 C5 121.4(3) . . ?
C6 C5 C4 121.1(3) . . ?
C5 C6 C1 118.1(2) . . ?
C5 C6 C7 119.0(2) . . ?
C1 C6 C7 123.0(2) . . ?
C8 C7 C12 117.8(3) . . ?
C8 C7 C6 122.1(3) . . ?
C12 C7 C6 120.1(2) . . ?
C7 C8 C9 120.8(3) . . ?
C10 C9 C8 121.7(3) . . ?
C9 C10 C11 117.0(3) . . ?
C9 C10 C17 122.7(3) . . ?
C11 C10 C17 120.3(3) . . ?
C12 C11 C10 121.8(3) . . ?
C11 C12 C7 121.0(3) . . ?
C16 C13 C14 108.9(3) . . ?
C16 C13 C3 112.4(3) . . ?
C14 C13 C3 107.9(2) . . ?
C16 C13 C15 108.5(3) . . ?
C14 C13 C15 109.3(4) . . ?
C3 C13 C15 109.7(3) . . ?
C18 C17 C19 112.5(4) . . ?
C18 C17 C10 111.9(3) . . ?
C19 C17 C10 107.9(3) . . ?
C18 C17 C20 105.9(4) . . ?
C19 C17 C20 108.3(4) . . ?
C10 C17 C20 110.2(3) . . ?
C22 C21 C26 120.4(2) . . ?
C22 C21 P1 119.11(18) . . ?
C26 C21 P1 120.3(2) . . ?
C23 C22 C21 122.6(2) . . ?
C22 C23 C24 116.1(3) . . ?
C22 C23 C33 123.0(3) . . ?
C24 C23 C33 120.9(3) . . ?
C25 C24 C23 122.0(3) . . ?
C24 C25 C26 121.8(3) . . ?
C25 C26 C21 117.0(3) . . ?
C25 C26 C27 119.4(2) . . ?
C21 C26 C27 123.7(2) . . ?
C28 C27 C32 117.9(3) . . ?
C28 C27 C26 120.4(3) . . ?
C32 C27 C26 121.7(3) . . ?
C27 C28 C29 121.3(3) . . ?
C30 C29 C28 120.8(3) . . ?
C31 C30 C29 117.7(3) . . ?
C31 C30 C37 120.0(4) . . ?
C29 C30 C37 122.3(3) . . ?
C30 C31 C32 121.7(3) . . ?
C27 C32 C31 120.5(3) . . ?
C35 C33 C36 109.9(5) . . ?
C35 C33 C23 109.5(3) . . ?
C36 C33 C23 113.0(3) . . ?
C35 C33 C34 109.6(5) . . ?
C36 C33 C34 105.4(3) . . ?
C23 C33 C34 109.3(3) . . ?
C39 C37 C38 112.3(5) . . ?
C39 C37 C30 112.3(4) . . ?
C38 C37 C30 110.2(4) . . ?
C39 C37 C40 107.9(5) . . ?
C38 C37 C40 106.9(4) . . ?
C30 C37 C40 106.9(4) . . ?
C42 C41 C46 119.5(2) . . ?
C42 C41 P1 119.0(2) . . ?
C46 C41 P1 121.2(2) . . ?
C43 C42 C41 123.1(3) . . ?
C42 C43 C44 116.1(3) . . ?
C42 C43 C53 121.8(3) . . ?
C44 C43 C53 122.0(3) . . ?
C45 C44 C43 122.2(3) . . ?
C44 C45 C46 121.5(3) . . ?
C41 C46 C45 117.5(3) . . ?
C41 C46 C47 123.5(2) . . ?
C45 C46 C47 119.0(3) . . ?
C52 C47 C48 117.7(3) . . ?
C52 C47 C46 122.7(3) . . ?
C48 C47 C46 119.6(3) . . ?
C47 C48 C49 120.5(3) . . ?
C50 C49 C48 121.7(3) . . ?
C49 C50 C51 117.5(3) . . ?
C49 C50 C57 121.8(3) . . ?
C51 C50 C57 120.7(3) . . ?
C52 C51 C50 120.9(3) . . ?
C47 C52 C51 121.6(3) . . ?
C56 C53 C54 108.7(4) . . ?
C56 C53 C43 113.0(3) . . ?
C54 C53 C43 109.3(3) . . ?
C56 C53 C55 107.3(3) . . ?
C54 C53 C55 110.2(4) . . ?
C43 C53 C55 108.3(4) . . ?
C60 C57 C59 110.7(6) . . ?
C60B C57 C50 112.9(6) . . ?
C60 C57 C50 109.8(4) . . ?
C59 C57 C50 111.6(4) . . ?
C60 C57 C58 111.9(6) . . ?
C59 C57 C58 105.8(5) . . ?
C50 C57 C58 106.9(4) . . ?
C60B C57 C58B 110.0(11) . . ?
C50 C57 C58B 107.5(5) . . ?
C60B C57 C59B 110.7(11) . . ?
C50 C57 C59B 114.3(6) . . ?
C58B C57 C59B 100.7(9) . . ?

_refine_diff_density_max         1.119
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.074



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

data_jcm04121a_sq
_database_code_depnum_ccdc_archive 'CCDC 2078525'
loop_
_audit_author_name
_audit_author_address
'Jesus Campos'
;CSIC
Spain
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H87 Ag Au F12 O P Sb2'
_chemical_formula_weight         1703.66


_vrf_PLAT250_jcm04121a_sq        
;
PROBLEM: Large U3/U1 Ratio for Average U(i,j) Tensor ....        4.1 Note 
RESPONSE: This is due to the disordered pentane molecule and does not
have any major chemical relevance.
;

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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
O O 0.0106 0.0060 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.5895(9)
_cell_length_b                   16.7018(12)
_cell_length_c                   18.5193(13)
_cell_angle_alpha                112.837(3)
_cell_angle_beta                 102.452(2)
_cell_angle_gamma                94.349(3)
_cell_volume                     3722.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9331
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      28.17

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_F_000             1684
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    3.029
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5079
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   .
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus Source'
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean .
_diffrn_reflns_number            120540
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.025
_diffrn_reflns_theta_max         28.354
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18541
_reflns_number_gt                14275
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.017 0.000 0.000 509 167 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
Apart from a well-resolved pentane molecule, 
the unit cell contains another four pentane molecules which have
been treated  as a diffuse contribution to the overall 
scattering without specific atom positions by SQUEEZE/PLATON
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0637P)²+17.1676P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18541
_refine_ls_number_parameters     780
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1388
_refine_ls_wR_factor_gt          0.1242
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.5000 0.5000 0.04258(18) Uani 1 2 d S . P . .
Ag2 Ag 0.0000 0.5000 0.0000 0.03615(15) Uani 1 2 d S . P . .
Au1 Au 0.36265(2) 0.62021(2) 0.24952(2) 0.02884(7) Uani 1 1 d . . . . .
C1 C 0.1810(4) 0.7499(4) 0.2963(3) 0.0286(12) Uani 1 1 d . . . . .
C2 C 0.1755(4) 0.8383(4) 0.3334(4) 0.0323(12) Uani 1 1 d . . . . .
H2 H 0.2320 0.8776 0.3759 0.039 Uiso 1 1 calc R U . . .
C3 C 0.0880(5) 0.8714(4) 0.3094(4) 0.0357(13) Uani 1 1 d . . . . .
C4 C 0.0079(5) 0.8104(5) 0.2470(4) 0.0385(14) Uani 1 1 d . . . . .
H4 H -0.0524 0.8304 0.2291 0.046 Uiso 1 1 calc R U . . .
C5 C 0.0127(4) 0.7217(5) 0.2098(4) 0.0363(14) Uani 1 1 d . . . . .
H5 H -0.0445 0.6822 0.1682 0.044 Uiso 1 1 calc R U . . .
C6 C 0.0999(4) 0.6898(4) 0.2325(4) 0.0312(12) Uani 1 1 d . . . . .
C7 C 0.1003(4) 0.5929(4) 0.1898(3) 0.0311(12) Uani 1 1 d . . . . .
C8 C 0.1438(4) 0.5610(5) 0.1237(4) 0.0342(13) Uani 1 1 d . . . . .
H8 H 0.2019 0.6019 0.1242 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1439(4) 0.4694(5) 0.0835(4) 0.0380(14) Uani 1 1 d . . . . .
H9 H 0.2025 0.4538 0.0591 0.046 Uiso 1 1 calc R U . . .
C10 C 0.1033(5) 0.4084(5) 0.1096(4) 0.0368(14) Uani 1 1 d . . . . .
C11 C 0.0599(4) 0.4418(5) 0.1740(4) 0.0353(13) Uani 1 1 d . . . . .
H11 H 0.0303 0.4020 0.1920 0.042 Uiso 1 1 calc R U . . .
C12 C 0.0581(4) 0.5316(4) 0.2134(4) 0.0315(12) Uani 1 1 d . . . . .
H12 H 0.0273 0.5513 0.2573 0.038 Uiso 1 1 calc R U . . .
C13 C 0.0787(5) 0.9678(5) 0.3499(5) 0.0465(17) Uani 1 1 d . . . . .
C14 C -0.0166(6) 0.9718(6) 0.3838(7) 0.076(3) Uani 1 1 d . . . . .
H14A H -0.0105 0.9409 0.4196 0.113 Uiso 1 1 calc R U . . .
H14B H -0.0785 0.9434 0.3386 0.113 Uiso 1 1 calc R U . . .
H14C H -0.0210 1.0335 0.4147 0.113 Uiso 1 1 calc R U . . .
C15 C 0.1719(6) 1.0237(5) 0.4199(5) 0.0542(19) Uani 1 1 d . . . . .
H15A H 0.2327 1.0224 0.3993 0.081 Uiso 1 1 calc R U . . .
H15B H 0.1820 0.9999 0.4611 0.081 Uiso 1 1 calc R U . . .
H15C H 0.1608 1.0847 0.4441 0.081 Uiso 1 1 calc R U . . .
C16 C 0.0640(8) 1.0064(6) 0.2871(6) 0.080(3) Uani 1 1 d . . . . .
H16A H 0.0497 1.0664 0.3114 0.120 Uiso 1 1 calc R U . . .
H16B H 0.0064 0.9695 0.2405 0.120 Uiso 1 1 calc R U . . .
H16C H 0.1264 1.0083 0.2690 0.120 Uiso 1 1 calc R U . . .
C17 C 0.1088(5) 0.3111(5) 0.0675(4) 0.0434(15) Uani 1 1 d . . . . .
C18 C 0.0554(8) 0.2559(6) 0.1002(6) 0.067(2) Uani 1 1 d . . . . .
H18A H 0.0534 0.1933 0.0673 0.101 Uiso 1 1 calc R U . . .
H18B H -0.0147 0.2673 0.0979 0.101 Uiso 1 1 calc R U . . .
H18C H 0.0926 0.2712 0.1567 0.101 Uiso 1 1 calc R U . . .
C19 C 0.2218(6) 0.3003(7) 0.0789(5) 0.068(3) Uani 1 1 d . . . . .
H19A H 0.2258 0.2377 0.0522 0.102 Uiso 1 1 calc R U . . .
H19B H 0.2560 0.3229 0.1370 0.102 Uiso 1 1 calc R U . . .
H19C H 0.2555 0.3335 0.0547 0.102 Uiso 1 1 calc R U . . .
C20 C 0.0596(6) 0.2779(6) -0.0241(4) 0.0551(19) Uani 1 1 d . . . . .
H20A H 0.0960 0.3122 -0.0460 0.083 Uiso 1 1 calc R U . . .
H20B H -0.0124 0.2851 -0.0333 0.083 Uiso 1 1 calc R U . . .
H20C H 0.0636 0.2154 -0.0515 0.083 Uiso 1 1 calc R U . . .
C21 C 0.2138(4) 0.6478(4) 0.3860(3) 0.0280(11) Uani 1 1 d . . . . .
C22 C 0.1279(4) 0.6795(4) 0.4086(3) 0.0281(11) Uani 1 1 d . . . . .
H22 H 0.1148 0.7342 0.4074 0.034 Uiso 1 1 calc R U . . .
C23 C 0.0609(4) 0.6343(4) 0.4326(3) 0.0277(11) Uani 1 1 d . . . . .
C24 C 0.0837(4) 0.5552(4) 0.4347(3) 0.0245(10) Uani 1 1 d . . . . .
H24 H 0.0401 0.5229 0.4515 0.029 Uiso 1 1 calc R U . . .
C25 C 0.1686(4) 0.5227(4) 0.4129(3) 0.0300(12) Uani 1 1 d . . . . .
H25 H 0.1803 0.4673 0.4127 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2373(4) 0.5696(4) 0.3914(3) 0.0273(11) Uani 1 1 d . . . . .
C27 C 0.3315(4) 0.5352(4) 0.3725(3) 0.0286(11) Uani 1 1 d . . . . .
C28 C 0.4289(4) 0.5848(4) 0.4189(4) 0.0321(12) Uani 1 1 d . . . . .
H28 H 0.4354 0.6502 0.4482 0.038 Uiso 1 1 calc R U . . .
C29 C 0.5165(4) 0.5509(5) 0.4002(4) 0.0348(13) Uani 1 1 d . . . . .
H29 H 0.5791 0.5952 0.4141 0.042 Uiso 1 1 calc R U . . .
C30 C 0.5086(4) 0.4691(5) 0.3371(4) 0.0341(13) Uani 1 1 d . . . . .
C31 C 0.4111(4) 0.4209(5) 0.2930(4) 0.0346(13) Uani 1 1 d . . . . .
H31 H 0.4041 0.3646 0.2498 0.042 Uiso 1 1 calc R U . . .
C32 C 0.3231(4) 0.4531(4) 0.3104(4) 0.0335(13) Uani 1 1 d . . . . .
H32 H 0.2574 0.4185 0.2795 0.040 Uiso 1 1 calc R U . . .
C33 C -0.0322(5) 0.6735(4) 0.4548(4) 0.0381(14) Uani 1 1 d . . . . .
C34 C 0.0033(7) 0.7663(5) 0.5242(6) 0.057(2) Uani 1 1 d . . . . .
H34A H -0.0563 0.7902 0.5399 0.086 Uiso 1 1 calc R U . . .
H34B H 0.0391 0.8049 0.5060 0.086 Uiso 1 1 calc R U . . .
H34C H 0.0498 0.7630 0.5711 0.086 Uiso 1 1 calc R U . . .
C35 C -0.0965(5) 0.6160(5) 0.4817(4) 0.0410(15) Uani 1 1 d . . . . .
H35A H -0.0543 0.6114 0.5295 0.061 Uiso 1 1 calc R U . . .
H35B H -0.1207 0.5570 0.4373 0.061 Uiso 1 1 calc R U . . .
H35C H -0.1553 0.6431 0.4953 0.061 Uiso 1 1 calc R U . . .
C36 C -0.1007(5) 0.6802(6) 0.3796(5) 0.052(2) Uani 1 1 d . . . . .
H36A H -0.1612 0.7041 0.3931 0.077 Uiso 1 1 calc R U . . .
H36B H -0.1222 0.6213 0.3346 0.077 Uiso 1 1 calc R U . . .
H36C H -0.0619 0.7192 0.3634 0.077 Uiso 1 1 calc R U . . .
C37 C 0.6054(5) 0.4346(6) 0.3181(4) 0.0460(17) Uani 1 1 d . . . . .
C38 C 0.6664(5) 0.4204(5) 0.3908(4) 0.0426(15) Uani 1 1 d . . . . .
H38A H 0.6902 0.4773 0.4381 0.064 Uiso 1 1 calc R U . . .
H38B H 0.7255 0.3937 0.3773 0.064 Uiso 1 1 calc R U . . .
H38C H 0.6225 0.3810 0.4033 0.064 Uiso 1 1 calc R U . . .
C39 C 0.6712(6) 0.5046(7) 0.3044(5) 0.067(3) Uani 1 1 d . . . . .
H39A H 0.6307 0.5171 0.2606 0.100 Uiso 1 1 calc R U . . .
H39B H 0.7317 0.4819 0.2893 0.100 Uiso 1 1 calc R U . . .
H39C H 0.6930 0.5589 0.3545 0.100 Uiso 1 1 calc R U . . .
C40 C 0.5819(6) 0.3491(7) 0.2437(5) 0.076(3) Uani 1 1 d . . . . .
H40A H 0.5425 0.3037 0.2525 0.113 Uiso 1 1 calc R U . . .
H40B H 0.6461 0.3307 0.2332 0.113 Uiso 1 1 calc R U . . .
H40C H 0.5419 0.3570 0.1969 0.113 Uiso 1 1 calc R U . . .
C41 C 0.3727(4) 0.7978(4) 0.4273(4) 0.0282(11) Uani 1 1 d . . . . .
C42 C 0.3485(4) 0.8263(4) 0.5018(4) 0.0288(11) Uani 1 1 d . . . . .
H42 H 0.2841 0.8021 0.5037 0.035 Uiso 1 1 calc R U . . .
C43 C 0.4151(4) 0.8888(4) 0.5731(4) 0.0319(12) Uani 1 1 d . . . . .
C44 C 0.5078(5) 0.9247(4) 0.5682(4) 0.0396(14) Uani 1 1 d . . . . .
H44 H 0.5548 0.9685 0.6156 0.047 Uiso 1 1 calc R U . . .
C45 C 0.5319(5) 0.8966(4) 0.4941(4) 0.0367(13) Uani 1 1 d . . . . .
H45 H 0.5959 0.9218 0.4924 0.044 Uiso 1 1 calc R U . . .
C46 C 0.4666(4) 0.8332(4) 0.4224(4) 0.0297(12) Uani 1 1 d . . . . .
C47 C 0.5004(4) 0.8059(4) 0.3461(4) 0.0298(12) Uani 1 1 d . . . . .
C48 C 0.5962(4) 0.7807(5) 0.3462(4) 0.0421(15) Uani 1 1 d . . . . .
H48 H 0.6365 0.7768 0.3931 0.051 Uiso 1 1 calc R U . . .
C49 C 0.6323(5) 0.7615(5) 0.2783(4) 0.0484(18) Uani 1 1 d . . . . .
H49 H 0.6977 0.7447 0.2796 0.058 Uiso 1 1 calc R U . . .
C50 C 0.5761(4) 0.7657(4) 0.2077(4) 0.0370(14) Uani 1 1 d . . . . .
C51 C 0.4789(4) 0.7875(4) 0.2072(4) 0.0336(12) Uani 1 1 d . . . . .
H51 H 0.4371 0.7886 0.1595 0.040 Uiso 1 1 calc R U . . .
C52 C 0.4427(4) 0.8074(4) 0.2755(4) 0.0326(12) Uani 1 1 d . . . . .
H52 H 0.3764 0.8225 0.2738 0.039 Uiso 1 1 calc R U . . .
C53 C 0.3837(5) 0.9155(4) 0.6532(4) 0.0368(13) Uani 1 1 d . . . . .
C54 C 0.3033(7) 0.9746(7) 0.6530(5) 0.071(3) Uani 1 1 d . . . . .
H54A H 0.2448 0.9432 0.6053 0.107 Uiso 1 1 calc R U . . .
H54B H 0.3332 1.0287 0.6510 0.107 Uiso 1 1 calc R U . . .
H54C H 0.2801 0.9897 0.7025 0.107 Uiso 1 1 calc R U . . .
C55 C 0.4754(6) 0.9667(5) 0.7278(4) 0.0479(17) Uani 1 1 d . . . . .
H55A H 0.4531 0.9802 0.7775 0.072 Uiso 1 1 calc R U . . .
H55B H 0.5024 1.0218 0.7260 0.072 Uiso 1 1 calc R U . . .
H55C H 0.5291 0.9307 0.7274 0.072 Uiso 1 1 calc R U . . .
C56 C 0.3421(7) 0.8331(5) 0.6621(5) 0.055(2) Uani 1 1 d . . . . .
H56A H 0.3934 0.7946 0.6586 0.083 Uiso 1 1 calc R U . . .
H56B H 0.2794 0.8014 0.6186 0.083 Uiso 1 1 calc R U . . .
H56C H 0.3268 0.8506 0.7149 0.083 Uiso 1 1 calc R U . . .
C57 C 0.6199(6) 0.7479(6) 0.1343(5) 0.057(2) Uani 1 1 d . U . . .
C58 C 0.7292(8) 0.7608(12) 0.1552(7) 0.127(5) Uani 1 1 d . U . . .
H58A H 0.7538 0.7705 0.1128 0.190 Uiso 1 1 calc R U . . .
H58B H 0.7519 0.7084 0.1602 0.190 Uiso 1 1 calc R U . . .
H58C H 0.7570 0.8124 0.2072 0.190 Uiso 1 1 calc R U . . .
C59 C 0.5671(9) 0.6678(10) 0.0665(7) 0.125(5) Uani 1 1 d . U . . .
H59A H 0.5960 0.6597 0.0206 0.188 Uiso 1 1 calc R U . . .
H59B H 0.4943 0.6710 0.0511 0.188 Uiso 1 1 calc R U . . .
H59C H 0.5746 0.6179 0.0814 0.188 Uiso 1 1 calc R U . . .
C60 C 0.5910(13) 0.8165(12) 0.0991(9) 0.136(5) Uani 1 1 d . U . . .
H60A H 0.6312 0.8749 0.1364 0.203 Uiso 1 1 calc R U . . .
H60B H 0.5179 0.8188 0.0928 0.203 Uiso 1 1 calc R U . . .
H60C H 0.6056 0.7991 0.0461 0.203 Uiso 1 1 calc R U . . .
C61 C 0.4220(5) 0.5420(6) 0.1673(4) 0.0472(17) Uani 1 1 d . . . . .
C80 C 0.9154(7) 0.3172(7) 0.2850(6) 0.064(2) Uani 1 1 d D . . . .
H80A H 0.9033 0.3157 0.3348 0.096 Uiso 1 1 calc R U . . .
H80B H 0.9015 0.3730 0.2826 0.096 Uiso 1 1 calc R U . . .
H80C H 0.9869 0.3125 0.2851 0.096 Uiso 1 1 calc R U . . .
C81 C 0.8501(9) 0.2460(8) 0.2167(8) 0.107(5) Uani 1 1 d D . . . .
H81A H 0.8511 0.2556 0.1673 0.128 Uiso 1 1 calc R U . . .
H81B H 0.7792 0.2452 0.2222 0.128 Uiso 1 1 calc R U . . .
C82 C 0.8787(11) 0.1578(9) 0.2056(9) 0.114(5) Uani 1 1 d D . . . .
H82A H 0.9462 0.1568 0.1936 0.137 Uiso 1 1 calc R U . . .
H82B H 0.8870 0.1525 0.2579 0.137 Uiso 1 1 calc R U . . .
C83 C 0.8078(13) 0.0809(10) 0.1426(16) 0.231(15) Uani 1 1 d D . . . .
H83A H 0.7900 0.0932 0.0937 0.277 Uiso 1 1 calc R U . . .
H83B H 0.7445 0.0783 0.1605 0.277 Uiso 1 1 calc R U . . .
C84 C 0.8324(12) -0.0100(9) 0.1151(11) 0.148(7) Uani 1 1 d D . . . .
H84A H 0.8936 -0.0112 0.0951 0.222 Uiso 1 1 calc R U . . .
H84B H 0.7746 -0.0515 0.0714 0.222 Uiso 1 1 calc R U . . .
H84C H 0.8450 -0.0271 0.1608 0.222 Uiso 1 1 calc R U . . .
F1 F 0.2813(4) 0.2526(3) 0.2746(3) 0.0667(13) Uani 1 1 d . . . . .
F2 F 0.3087(3) 0.3715(3) 0.4270(2) 0.0448(9) Uani 1 1 d . . . . .
F3 F 0.4475(3) 0.2759(4) 0.3916(3) 0.0687(14) Uani 1 1 d . . . . .
F4 F 0.3297(5) 0.2475(3) 0.4786(3) 0.0710(15) Uani 1 1 d . . . . .
F5 F 0.3085(4) 0.1281(3) 0.3276(3) 0.0611(12) Uani 1 1 d . . . . .
F6 F 0.1662(3) 0.2269(3) 0.3625(4) 0.0711(15) Uani 1 1 d . . . . .
F7 F 0.6577(5) 0.4835(8) 0.1154(4) 0.152(4) Uani 1 1 d . . . . .
F8 F 0.6895(3) 0.4237(4) -0.0293(3) 0.0744(17) Uani 1 1 d . . . . .
F9 F 0.8373(5) 0.5377(4) 0.0916(3) 0.0810(16) Uani 1 1 d . . . . .
F10 F 0.8592(4) 0.3782(4) 0.0269(3) 0.0729(15) Uani 1 1 d . . . . .
F11 F 0.6869(5) 0.3207(6) 0.0500(5) 0.138(4) Uani 1 1 d . . . . .
F12 F 0.8290(3) 0.4391(5) 0.1746(3) 0.0827(19) Uani 1 1 d . . . . .
O1 O 0.4529(5) 0.4956(4) 0.1231(4) 0.0700(17) Uani 1 1 d . . . . .
P1 P 0.28391(10) 0.70622(10) 0.34224(9) 0.0266(3) Uani 1 1 d . . . . .
Sb1 Sb 0.30620(3) 0.24845(3) 0.37594(3) 0.03817(11) Uani 1 1 d . . . . .
Sb2 Sb 0.75770(3) 0.43108(5) 0.07346(3) 0.06205(18) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C29 2.358(6) . ?
Ag1 C29 2.358(6) 2_666 ?
Ag1 C28 2.535(6) 2_666 ?
Ag1 C28 2.535(6) . ?
Ag2 C9 2.438(6) 2_565 ?
Ag2 C9 2.438(6) . ?
Ag2 C8 2.462(5) 2_565 ?
Ag2 C8 2.462(5) . ?
Au1 C61 1.954(8) . ?
Au1 P1 2.2952(15) . ?
C1 C2 1.382(9) . ?
C1 C6 1.402(8) . ?
C1 P1 1.827(5) . ?
C2 C3 1.407(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(9) . ?
C3 C13 1.519(10) . ?
C4 C5 1.384(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.502(9) . ?
C7 C12 1.390(8) . ?
C7 C8 1.410(8) . ?
C8 C9 1.419(10) . ?
C8 H8 1.0000 . ?
C9 C10 1.409(9) . ?
C9 H9 1.0000 . ?
C10 C11 1.385(8) . ?
C10 C17 1.521(10) . ?
C11 C12 1.397(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.518(11) . ?
C13 C15 1.526(10) . ?
C13 C14 1.552(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.506(11) . ?
C17 C19 1.538(10) . ?
C17 C20 1.535(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.403(8) . ?
C21 C22 1.396(8) . ?
C21 P1 1.824(5) . ?
C22 C23 1.389(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(8) . ?
C23 C33 1.531(8) . ?
C24 C25 1.384(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.496(8) . ?
C27 C32 1.383(9) . ?
C27 C28 1.403(8) . ?
C28 C29 1.408(8) . ?
C28 H28 1.0000 . ?
C29 C30 1.388(10) . ?
C29 H29 1.0000 . ?
C30 C31 1.390(8) . ?
C30 C37 1.530(8) . ?
C31 C32 1.397(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.536(11) . ?
C33 C35 1.535(8) . ?
C33 C36 1.549(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C40 1.502(12) . ?
C37 C38 1.534(9) . ?
C37 C39 1.549(11) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.395(8) . ?
C41 C46 1.401(7) . ?
C41 P1 1.819(6) . ?
C42 C43 1.386(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.390(8) . ?
C43 C53 1.539(8) . ?
C44 C45 1.387(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.493(8) . ?
C47 C52 1.383(8) . ?
C47 C48 1.399(8) . ?
C48 C49 1.379(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(10) . ?
C49 H49 0.9500 . ?
C50 C51 1.395(8) . ?
C50 C57 1.535(9) . ?
C51 C52 1.385(8) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.528(10) . ?
C53 C56 1.530(10) . ?
C53 C55 1.540(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C59 1.429(13) . ?
C57 C58 1.429(12) . ?
C57 C60 1.559(17) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 O1 1.075(9) . ?
C80 C81 1.412(13) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.499(12) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.450(16) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.492(15) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
F1 Sb1 1.864(5) . ?
F2 Sb1 1.893(4) . ?
F3 Sb1 1.872(4) . ?
F4 Sb1 1.866(4) . ?
F5 Sb1 1.861(5) . ?
F6 Sb1 1.853(4) . ?
F7 Sb2 1.823(6) . ?
F8 Sb2 1.880(4) . ?
F9 Sb2 1.882(6) . ?
F10 Sb2 1.879(5) . ?
F11 Sb2 1.856(8) . ?
F12 Sb2 1.862(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
C29 Ag1 C29 180.0(3) . 2_666 ?
C29 Ag1 C28 146.8(2) . 2_666 ?
C29 Ag1 C28 33.2(2) 2_666 2_666 ?
C29 Ag1 C28 33.2(2) . . ?
C29 Ag1 C28 146.8(2) 2_666 . ?
C28 Ag1 C28 180.0(2) 2_666 . ?
C9 Ag2 C9 180.0 2_565 . ?
C9 Ag2 C8 33.7(2) 2_565 2_565 ?
C9 Ag2 C8 146.3(2) . 2_565 ?
C9 Ag2 C8 146.3(2) 2_565 . ?
C9 Ag2 C8 33.7(2) . . ?
C8 Ag2 C8 180.0(2) 2_565 . ?
C61 Au1 P1 176.6(2) . . ?
C2 C1 C6 121.2(5) . . ?
C2 C1 P1 119.5(4) . . ?
C6 C1 P1 118.3(5) . . ?
C1 C2 C3 121.4(6) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 116.4(6) . . ?
C4 C3 C13 120.9(5) . . ?
C2 C3 C13 122.7(6) . . ?
C5 C4 C3 122.6(6) . . ?
C5 C4 H4 118.7 . . ?
C3 C4 H4 118.7 . . ?
C4 C5 C6 120.7(6) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 117.7(6) . . ?
C5 C6 C7 118.2(5) . . ?
C1 C6 C7 124.1(5) . . ?
C12 C7 C8 117.7(6) . . ?
C12 C7 C6 121.8(5) . . ?
C8 C7 C6 120.5(5) . . ?
C7 C8 C9 120.3(6) . . ?
C7 C8 Ag2 106.4(3) . . ?
C9 C8 Ag2 72.2(3) . . ?
C7 C8 H8 116.4 . . ?
C9 C8 H8 116.4 . . ?
Ag2 C8 H8 116.4 . . ?
C10 C9 C8 121.3(6) . . ?
C10 C9 Ag2 107.0(4) . . ?
C8 C9 Ag2 74.1(3) . . ?
C10 C9 H9 115.6 . . ?
C8 C9 H9 115.6 . . ?
Ag2 C9 H9 115.6 . . ?
C11 C10 C9 116.9(6) . . ?
C11 C10 C17 123.2(6) . . ?
C9 C10 C17 120.0(6) . . ?
C10 C11 C12 122.4(6) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C7 121.3(6) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
C3 C13 C16 109.3(7) . . ?
C3 C13 C15 113.3(5) . . ?
C16 C13 C15 108.5(7) . . ?
C3 C13 C14 107.6(6) . . ?
C16 C13 C14 109.6(7) . . ?
C15 C13 C14 108.4(7) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C10 112.0(6) . . ?
C18 C17 C19 109.5(7) . . ?
C10 C17 C19 109.1(6) . . ?
C18 C17 C20 109.3(7) . . ?
C10 C17 C20 109.2(6) . . ?
C19 C17 C20 107.5(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 119.5(5) . . ?
C26 C21 P1 123.0(4) . . ?
C22 C21 P1 117.2(4) . . ?
C23 C22 C21 122.5(5) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 117.0(5) . . ?
C22 C23 C33 118.8(5) . . ?
C24 C23 C33 124.2(5) . . ?
C25 C24 C23 121.5(5) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 121.4(5) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C21 118.0(5) . . ?
C25 C26 C27 120.3(5) . . ?
C21 C26 C27 121.7(5) . . ?
C32 C27 C28 119.4(5) . . ?
C32 C27 C26 120.1(5) . . ?
C28 C27 C26 120.5(5) . . ?
C27 C28 C29 119.4(6) . . ?
C27 C28 Ag1 104.0(4) . . ?
C29 C28 Ag1 66.5(3) . . ?
C27 C28 H28 118.1 . . ?
C29 C28 H28 118.1 . . ?
Ag1 C28 H28 118.1 . . ?
C30 C29 C28 121.5(5) . . ?
C30 C29 Ag1 97.4(4) . . ?
C28 C29 Ag1 80.3(3) . . ?
C30 C29 H29 116.4 . . ?
C28 C29 H29 116.4 . . ?
Ag1 C29 H29 116.4 . . ?
C29 C30 C31 117.8(5) . . ?
C29 C30 C37 120.0(5) . . ?
C31 C30 C37 122.1(6) . . ?
C30 C31 C32 121.8(6) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
C27 C32 C31 120.1(5) . . ?
C27 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C23 C33 C34 109.7(5) . . ?
C23 C33 C35 111.8(5) . . ?
C34 C33 C35 108.9(6) . . ?
C23 C33 C36 109.0(5) . . ?
C34 C33 C36 109.0(6) . . ?
C35 C33 C36 108.4(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C38 108.6(7) . . ?
C40 C37 C30 112.5(6) . . ?
C38 C37 C30 109.0(5) . . ?
C40 C37 C39 108.7(7) . . ?
C38 C37 C39 109.2(6) . . ?
C30 C37 C39 108.7(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 120.1(5) . . ?
C42 C41 P1 116.8(4) . . ?
C46 C41 P1 122.8(5) . . ?
C43 C42 C41 122.4(5) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C42 C43 C44 117.6(6) . . ?
C42 C43 C53 119.3(5) . . ?
C44 C43 C53 123.1(6) . . ?
C43 C44 C45 120.1(6) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 123.0(6) . . ?
C46 C45 H45 118.5 . . ?
C44 C45 H45 118.5 . . ?
C45 C46 C41 116.8(5) . . ?
C45 C46 C47 119.0(5) . . ?
C41 C46 C47 124.2(5) . . ?
C52 C47 C48 118.1(6) . . ?
C52 C47 C46 122.8(5) . . ?
C48 C47 C46 119.0(5) . . ?
C49 C48 C47 120.0(6) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 122.3(6) . . ?
C48 C49 H49 118.8 . . ?
C50 C49 H49 118.8 . . ?
C49 C50 C51 117.1(6) . . ?
C49 C50 C57 121.3(6) . . ?
C51 C50 C57 121.6(6) . . ?
C52 C51 C50 120.8(6) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C47 C52 C51 121.7(6) . . ?
C47 C52 H52 119.2 . . ?
C51 C52 H52 119.2 . . ?
C54 C53 C56 111.0(7) . . ?
C54 C53 C55 108.5(6) . . ?
C56 C53 C55 106.7(6) . . ?
C54 C53 C43 108.7(6) . . ?
C56 C53 C43 110.1(5) . . ?
C55 C53 C43 111.9(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 C58 116.5(10) . . ?
C59 C57 C50 112.0(7) . . ?
C58 C57 C50 113.1(7) . . ?
C59 C57 C60 100.3(11) . . ?
C58 C57 C60 105.3(11) . . ?
C50 C57 C60 108.2(8) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O1 C61 Au1 176.3(8) . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C81 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C80 C81 C82 113.7(11) . . ?
C80 C81 H81A 108.8 . . ?
C82 C81 H81A 108.8 . . ?
C80 C81 H81B 108.8 . . ?
C82 C81 H81B 108.8 . . ?
H81A C81 H81B 107.7 . . ?
C83 C82 C81 116.6(13) . . ?
C83 C82 H82A 108.1 . . ?
C81 C82 H82A 108.1 . . ?
C83 C82 H82B 108.1 . . ?
C81 C82 H82B 108.1 . . ?
H82A C82 H82B 107.3 . . ?
C82 C83 C84 123.2(15) . . ?
C82 C83 H83A 106.5 . . ?
C84 C83 H83A 106.5 . . ?
C82 C83 H83B 106.5 . . ?
C84 C83 H83B 106.5 . . ?
H83A C83 H83B 106.5 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C41 P1 C1 108.7(3) . . ?
C41 P1 C21 106.4(3) . . ?
C1 P1 C21 100.4(2) . . ?
C41 P1 Au1 112.88(18) . . ?
C1 P1 Au1 112.50(19) . . ?
C21 P1 Au1 115.1(2) . . ?
F6 Sb1 F5 91.4(2) . . ?
F6 Sb1 F1 89.3(3) . . ?
F5 Sb1 F1 90.2(2) . . ?
F6 Sb1 F4 90.1(3) . . ?
F5 Sb1 F4 91.4(2) . . ?
F1 Sb1 F4 178.3(2) . . ?
F6 Sb1 F3 177.3(2) . . ?
F5 Sb1 F3 91.3(2) . . ?
F1 Sb1 F3 90.6(2) . . ?
F4 Sb1 F3 90.0(3) . . ?
F6 Sb1 F2 90.3(2) . . ?
F5 Sb1 F2 178.02(19) . . ?
F1 Sb1 F2 90.6(2) . . ?
F4 Sb1 F2 87.77(18) . . ?
F3 Sb1 F2 87.0(2) . . ?
F7 Sb2 F11 90.6(5) . . ?
F7 Sb2 F12 91.4(2) . . ?
F11 Sb2 F12 90.1(3) . . ?
F7 Sb2 F8 90.0(2) . . ?
F11 Sb2 F8 90.9(3) . . ?
F12 Sb2 F8 178.24(19) . . ?
F7 Sb2 F10 177.9(2) . . ?
F11 Sb2 F10 90.2(4) . . ?
F12 Sb2 F10 90.6(2) . . ?
F8 Sb2 F10 88.0(2) . . ?
F7 Sb2 F9 94.6(4) . . ?
F11 Sb2 F9 174.8(4) . . ?
F12 Sb2 F9 90.7(3) . . ?
F8 Sb2 F9 88.1(2) . . ?
F10 Sb2 F9 84.6(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
C6 C1 C2 C3 0.8(8) . . . . ?
P1 C1 C2 C3 -167.7(4) . . . . ?
C1 C2 C3 C4 0.2(9) . . . . ?
C1 C2 C3 C13 178.8(6) . . . . ?
C2 C3 C4 C5 0.1(9) . . . . ?
C13 C3 C4 C5 -178.6(6) . . . . ?
C3 C4 C5 C6 -1.4(10) . . . . ?
C4 C5 C6 C1 2.3(9) . . . . ?
C4 C5 C6 C7 -180.0(5) . . . . ?
C2 C1 C6 C5 -2.1(8) . . . . ?
P1 C1 C6 C5 166.6(4) . . . . ?
C2 C1 C6 C7 -179.6(5) . . . . ?
P1 C1 C6 C7 -10.9(7) . . . . ?
C5 C6 C7 C12 -83.5(7) . . . . ?
C1 C6 C7 C12 94.1(7) . . . . ?
C5 C6 C7 C8 96.3(6) . . . . ?
C1 C6 C7 C8 -86.1(7) . . . . ?
C12 C7 C8 C9 -0.1(8) . . . . ?
C6 C7 C8 C9 -180.0(5) . . . . ?
C12 C7 C8 Ag2 78.5(5) . . . . ?
C6 C7 C8 Ag2 -101.3(5) . . . . ?
C7 C8 C9 C10 -1.6(8) . . . . ?
Ag2 C8 C9 C10 -100.5(5) . . . . ?
C7 C8 C9 Ag2 98.9(5) . . . . ?
C8 C9 C10 C11 2.4(8) . . . . ?
Ag2 C9 C10 C11 -79.0(6) . . . . ?
C8 C9 C10 C17 -177.3(5) . . . . ?
Ag2 C9 C10 C17 101.2(5) . . . . ?
C9 C10 C11 C12 -1.6(9) . . . . ?
C17 C10 C11 C12 178.1(5) . . . . ?
C10 C11 C12 C7 -0.1(9) . . . . ?
C8 C7 C12 C11 1.0(8) . . . . ?
C6 C7 C12 C11 -179.2(5) . . . . ?
C4 C3 C13 C16 -61.9(9) . . . . ?
C2 C3 C13 C16 119.6(7) . . . . ?
C4 C3 C13 C15 177.0(7) . . . . ?
C2 C3 C13 C15 -1.6(10) . . . . ?
C4 C3 C13 C14 57.1(9) . . . . ?
C2 C3 C13 C14 -121.4(7) . . . . ?
C11 C10 C17 C18 4.0(9) . . . . ?
C9 C10 C17 C18 -176.2(6) . . . . ?
C11 C10 C17 C19 -117.4(7) . . . . ?
C9 C10 C17 C19 62.3(8) . . . . ?
C11 C10 C17 C20 125.3(7) . . . . ?
C9 C10 C17 C20 -55.0(8) . . . . ?
C26 C21 C22 C23 -3.3(9) . . . . ?
P1 C21 C22 C23 171.4(4) . . . . ?
C21 C22 C23 C24 1.1(8) . . . . ?
C21 C22 C23 C33 -179.0(6) . . . . ?
C22 C23 C24 C25 -0.8(8) . . . . ?
C33 C23 C24 C25 179.3(6) . . . . ?
C23 C24 C25 C26 2.9(9) . . . . ?
C24 C25 C26 C21 -5.0(8) . . . . ?
C24 C25 C26 C27 176.7(5) . . . . ?
C22 C21 C26 C25 5.1(8) . . . . ?
P1 C21 C26 C25 -169.3(4) . . . . ?
C22 C21 C26 C27 -176.5(5) . . . . ?
P1 C21 C26 C27 9.0(8) . . . . ?
C25 C26 C27 C32 58.8(7) . . . . ?
C21 C26 C27 C32 -119.5(6) . . . . ?
C25 C26 C27 C28 -119.4(6) . . . . ?
C21 C26 C27 C28 62.3(7) . . . . ?
C32 C27 C28 C29 1.4(8) . . . . ?
C26 C27 C28 C29 179.7(5) . . . . ?
C32 C27 C28 Ag1 -69.2(6) . . . . ?
C26 C27 C28 Ag1 109.0(5) . . . . ?
C27 C28 C29 C30 -0.5(9) . . . . ?
Ag1 C28 C29 C30 92.8(5) . . . . ?
C27 C28 C29 Ag1 -93.3(5) . . . . ?
C28 C29 C30 C31 -0.4(8) . . . . ?
Ag1 C29 C30 C31 82.8(5) . . . . ?
C28 C29 C30 C37 179.5(5) . . . . ?
Ag1 C29 C30 C37 -97.3(5) . . . . ?
C29 C30 C31 C32 0.4(9) . . . . ?
C37 C30 C31 C32 -179.6(6) . . . . ?
C28 C27 C32 C31 -1.5(8) . . . . ?
C26 C27 C32 C31 -179.7(5) . . . . ?
C30 C31 C32 C27 0.6(9) . . . . ?
C22 C23 C33 C34 -57.9(7) . . . . ?
C24 C23 C33 C34 122.1(6) . . . . ?
C22 C23 C33 C35 -178.7(6) . . . . ?
C24 C23 C33 C35 1.2(9) . . . . ?
C22 C23 C33 C36 61.4(7) . . . . ?
C24 C23 C33 C36 -118.6(6) . . . . ?
C29 C30 C37 C40 -175.0(7) . . . . ?
C31 C30 C37 C40 4.9(10) . . . . ?
C29 C30 C37 C38 64.5(8) . . . . ?
C31 C30 C37 C38 -115.6(7) . . . . ?
C29 C30 C37 C39 -54.5(7) . . . . ?
C31 C30 C37 C39 125.4(7) . . . . ?
C46 C41 C42 C43 -0.9(9) . . . . ?
P1 C41 C42 C43 172.8(4) . . . . ?
C41 C42 C43 C44 1.5(9) . . . . ?
C41 C42 C43 C53 -178.8(5) . . . . ?
C42 C43 C44 C45 -1.3(9) . . . . ?
C53 C43 C44 C45 179.0(6) . . . . ?
C43 C44 C45 C46 0.5(10) . . . . ?
C44 C45 C46 C41 0.2(9) . . . . ?
C44 C45 C46 C47 -178.6(6) . . . . ?
C42 C41 C46 C45 0.0(8) . . . . ?
P1 C41 C46 C45 -173.3(4) . . . . ?
C42 C41 C46 C47 178.8(5) . . . . ?
P1 C41 C46 C47 5.5(8) . . . . ?
C45 C46 C47 C52 -126.6(6) . . . . ?
C41 C46 C47 C52 54.7(8) . . . . ?
C45 C46 C47 C48 50.9(8) . . . . ?
C41 C46 C47 C48 -127.8(6) . . . . ?
C52 C47 C48 C49 2.4(10) . . . . ?
C46 C47 C48 C49 -175.2(6) . . . . ?
C47 C48 C49 C50 -0.3(12) . . . . ?
C48 C49 C50 C51 -2.3(11) . . . . ?
C48 C49 C50 C57 177.3(7) . . . . ?
C49 C50 C51 C52 2.6(9) . . . . ?
C57 C50 C51 C52 -176.9(6) . . . . ?
C48 C47 C52 C51 -2.0(9) . . . . ?
C46 C47 C52 C51 175.5(5) . . . . ?
C50 C51 C52 C47 -0.5(9) . . . . ?
C42 C43 C53 C54 -74.4(8) . . . . ?
C44 C43 C53 C54 105.3(8) . . . . ?
C42 C43 C53 C56 47.3(8) . . . . ?
C44 C43 C53 C56 -133.0(7) . . . . ?
C42 C43 C53 C55 165.8(6) . . . . ?
C44 C43 C53 C55 -14.5(9) . . . . ?
C49 C50 C57 C59 111.5(11) . . . . ?
C51 C50 C57 C59 -68.9(12) . . . . ?
C49 C50 C57 C58 -22.6(13) . . . . ?
C51 C50 C57 C58 157.0(10) . . . . ?
C49 C50 C57 C60 -138.9(10) . . . . ?
C51 C50 C57 C60 40.6(11) . . . . ?
C80 C81 C82 C83 172.7(14) . . . . ?
C81 C82 C83 C84 170.1(18) . . . . ?
C42 C41 P1 C1 84.9(5) . . . . ?
C46 C41 P1 C1 -101.6(5) . . . . ?
C42 C41 P1 C21 -22.5(5) . . . . ?
C46 C41 P1 C21 151.0(5) . . . . ?
C42 C41 P1 Au1 -149.6(4) . . . . ?
C46 C41 P1 Au1 23.9(5) . . . . ?
C2 C1 P1 C41 -7.0(5) . . . . ?
C6 C1 P1 C41 -175.8(4) . . . . ?
C2 C1 P1 C21 104.5(5) . . . . ?
C6 C1 P1 C21 -64.4(5) . . . . ?
C2 C1 P1 Au1 -132.7(4) . . . . ?
C6 C1 P1 Au1 58.4(4) . . . . ?
C26 C21 P1 C41 -100.5(5) . . . . ?
C22 C21 P1 C41 84.9(5) . . . . ?
C26 C21 P1 C1 146.3(5) . . . . ?
C22 C21 P1 C1 -28.2(5) . . . . ?
C26 C21 P1 Au1 25.3(5) . . . . ?
C22 C21 P1 Au1 -149.3(4) . . . . ?

_refine_diff_density_max         1.524
_refine_diff_density_min         -4.042
_refine_diff_density_rms         0.145




####################################################################### 
# 
# 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_jcm01421a_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2078526'
loop_
_audit_author_name
_audit_author_address
'Jesus Campos'
;CSIC
Spain
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C94 H90 Au B F24 N P'
_chemical_formula_weight         1928.41

_vrf_PLAT214_jcm01421a_a_sq      
;
PROBLEM: Atom F6        (Anion/Solvent) ADP max/min Ratio
RESPONSE: The cause of this unusual high ratio between ADP values
 is the thermal motion of terminal CF3 groups of 
BArF, a very common issue for this counteranion.
;

_vrf_PLAT220_jcm01421a_a_sq      
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range
RESPONSE: This is due to the high libration of the methyl gruops
in tBu groups of the phosphine ligand.
;

_vrf_PLAT230_jcm01421a_a_sq      
;
PROBLEM: Hirshfeld Test Diff for    F5       --C107
RESPONSE: SAME as PLAT214.
;

_vrf_PLAT242_jcm01421a_a_sq      
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of
RESPONSE: SAME as PLAT220.
;


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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.2698(12)
_cell_length_b                   19.2125(18)
_cell_length_c                   22.968(2)
_cell_angle_alpha                109.011(3)
_cell_angle_beta                 90.297(3)
_cell_angle_gamma                106.613(3)
_cell_volume                     5273.8(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9458
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      28.10

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    1.491
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5092
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   .
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus Source'
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean .
_diffrn_reflns_number            136603
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.887
_diffrn_reflns_theta_max         28.320
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             26156
_reflns_number_gt                19604
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          .

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.009 -0.009 1103 281 ' '
2 0.362 0.950 0.913 14 0 ' '
3 0.638 0.050 0.087 13 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains 6 pentane molecules which have
 been treated as a diffuse contribution to the overall scattering
 without specific atom positions by SQUEEZE/PLATON.'
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.2439P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         26156
_refine_ls_number_parameters     1149
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1596
_refine_ls_wR_factor_gt          0.1414
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.24380(2) 0.41465(2) 0.77603(2) 0.04136(6) Uani 1 1 d . . . . .
P1 P 0.18988(7) 0.51973(5) 0.81473(4) 0.03083(18) Uani 1 1 d . . . . .
N1 N 0.2908(3) 0.31621(19) 0.73990(16) 0.0419(7) Uani 1 1 d . . . . .
B1 B 0.5491(3) 0.0070(2) 0.7076(2) 0.0370(9) Uani 1 1 d . . . . .
C1 C 0.2892(3) 0.6058(2) 0.86632(16) 0.0320(7) Uani 1 1 d . . . . .
C2 C 0.2604(3) 0.6534(2) 0.91868(17) 0.0360(8) Uani 1 1 d . . . . .
H2 H 0.1906 0.6377 0.9295 0.043 Uiso 1 1 calc R U . . .
C3 C 0.3303(3) 0.7237(2) 0.95608(17) 0.0373(8) Uani 1 1 d . . . . .
C4 C 0.4313(3) 0.7442(2) 0.93894(19) 0.0436(9) Uani 1 1 d . . . . .
H4 H 0.4807 0.7920 0.9631 0.052 Uiso 1 1 calc R U . . .
C5 C 0.4620(3) 0.6968(2) 0.8875(2) 0.0437(9) Uani 1 1 d . . . . .
H5 H 0.5326 0.7123 0.8779 0.052 Uiso 1 1 calc R U . . .
C6 C 0.3923(3) 0.6270(2) 0.84943(17) 0.0341(7) Uani 1 1 d . . . . .
C7 C 0.4268(3) 0.5792(2) 0.79223(18) 0.0383(8) Uani 1 1 d . . . . .
C8 C 0.4064(4) 0.5865(3) 0.7358(2) 0.0507(10) Uani 1 1 d . . . . .
H8 H 0.3712 0.6222 0.7333 0.061 Uiso 1 1 calc R U . . .
C9 C 0.4375(5) 0.5414(3) 0.6828(2) 0.0619(13) Uani 1 1 d . . . . .
H9 H 0.4229 0.5467 0.6442 0.074 Uiso 1 1 calc R U . . .
C10 C 0.4894(4) 0.4887(3) 0.6845(2) 0.0576(12) Uani 1 1 d . . . . .
C11 C 0.5093(4) 0.4829(3) 0.7413(2) 0.0542(11) Uani 1 1 d . . . . .
H11 H 0.5448 0.4474 0.7440 0.065 Uiso 1 1 calc R U . . .
C12 C 0.4790(3) 0.5274(3) 0.7947(2) 0.0465(9) Uani 1 1 d . . . . .
H12 H 0.4943 0.5223 0.8333 0.056 Uiso 1 1 calc R U . . .
C13 C 0.2925(4) 0.7771(2) 1.01109(19) 0.0484(10) Uani 1 1 d . . . . .
C14 C 0.2259(9) 0.7288(4) 1.0460(4) 0.143(5) Uani 1 1 d . . . . .
H14A H 0.1968 0.7616 1.0793 0.214 Uiso 1 1 calc R U . . .
H14B H 0.2701 0.7061 1.0638 0.214 Uiso 1 1 calc R U . . .
H14C H 0.1679 0.6874 1.0174 0.214 Uiso 1 1 calc R U . . .
C15 C 0.2319(8) 0.8182(5) 0.9869(3) 0.123(4) Uani 1 1 d . . . . .
H15A H 0.1681 0.7806 0.9608 0.184 Uiso 1 1 calc R U . . .
H15B H 0.2761 0.8456 0.9623 0.184 Uiso 1 1 calc R U . . .
H15C H 0.2117 0.8554 1.0217 0.184 Uiso 1 1 calc R U . . .
C16 C 0.3836(5) 0.8351(4) 1.0575(3) 0.092(2) Uani 1 1 d . . . . .
H16A H 0.3560 0.8648 1.0936 0.137 Uiso 1 1 calc R U . . .
H16B H 0.4276 0.8702 1.0384 0.137 Uiso 1 1 calc R U . . .
H16C H 0.4264 0.8078 1.0708 0.137 Uiso 1 1 calc R U . . .
C17 C 0.5209(7) 0.4385(4) 0.6253(3) 0.089(2) Uani 1 1 d . U . . .
C18 C 0.5170(13) 0.4643(7) 0.5730(4) 0.196(6) Uani 1 1 d . U . . .
H18A H 0.5548 0.4385 0.5406 0.294 Uiso 1 1 calc R U . . .
H18B H 0.5504 0.5204 0.5864 0.294 Uiso 1 1 calc R U . . .
H18C H 0.4431 0.4517 0.5568 0.294 Uiso 1 1 calc R U . . .
C19 C 0.4762(11) 0.3572(5) 0.6161(4) 0.160(4) Uani 1 1 d . U . . .
H19A H 0.4129 0.3354 0.5860 0.239 Uiso 1 1 calc R U . . .
H19B H 0.4569 0.3508 0.6556 0.239 Uiso 1 1 calc R U . . .
H19C H 0.5283 0.3304 0.6003 0.239 Uiso 1 1 calc R U . . .
C20 C 0.6392(10) 0.4432(8) 0.6357(5) 0.176(5) Uani 1 1 d . U . . .
H20A H 0.6537 0.4400 0.6764 0.264 Uiso 1 1 calc R U . . .
H20B H 0.6846 0.4924 0.6336 0.264 Uiso 1 1 calc R U . . .
H20C H 0.6538 0.4003 0.6034 0.264 Uiso 1 1 calc R U . . .
C21 C 0.1500(3) 0.5534(2) 0.75547(17) 0.0367(8) Uani 1 1 d . . . . .
C22 C 0.1672(3) 0.6327(2) 0.76995(18) 0.0391(8) Uani 1 1 d . . . . .
H22 H 0.1933 0.6658 0.8113 0.047 Uiso 1 1 calc R U . . .
C23 C 0.1482(4) 0.6658(2) 0.7273(2) 0.0477(10) Uani 1 1 d . . . . .
C24 C 0.1166(5) 0.6156(3) 0.6666(2) 0.0667(15) Uani 1 1 d . . . . .
H24 H 0.1079 0.6358 0.6349 0.080 Uiso 1 1 calc R U . . .
C25 C 0.0975(5) 0.5366(3) 0.6515(2) 0.0658(15) Uani 1 1 d . . . . .
H25 H 0.0748 0.5040 0.6097 0.079 Uiso 1 1 calc R U . . .
C26 C 0.1102(3) 0.5037(2) 0.69481(18) 0.0431(9) Uani 1 1 d . . . . .
C27 C 0.0813(3) 0.4179(2) 0.67686(18) 0.0414(9) Uani 1 1 d . . . . .
C28 C 0.0028(3) 0.3786(2) 0.7044(2) 0.0473(10) Uani 1 1 d . . . . .
H28 H -0.0310 0.4069 0.7357 0.057 Uiso 1 1 calc R U . . .
C29 C -0.0272(3) 0.2992(2) 0.6871(2) 0.0469(10) Uani 1 1 d . . . . .
H29 H -0.0801 0.2742 0.7076 0.056 Uiso 1 1 calc R U . . .
C30 C 0.0176(3) 0.2543(2) 0.64047(19) 0.0426(9) Uani 1 1 d . . . . .
C31 C 0.0960(3) 0.2944(2) 0.6127(2) 0.0462(10) Uani 1 1 d . . . . .
H31 H 0.1296 0.2662 0.5812 0.055 Uiso 1 1 calc R U . . .
C32 C 0.1261(4) 0.3746(2) 0.6302(2) 0.0489(10) Uani 1 1 d . . . . .
H32 H 0.1783 0.3999 0.6096 0.059 Uiso 1 1 calc R U . . .
C33 C 0.1652(4) 0.7525(3) 0.7483(2) 0.0579(12) Uani 1 1 d . . . . .
C34 C 0.0872(5) 0.7711(3) 0.7950(3) 0.0820(18) Uani 1 1 d . . . . .
H34A H 0.0959 0.8266 0.8088 0.123 Uiso 1 1 calc R U . . .
H34B H 0.1008 0.7565 0.8307 0.123 Uiso 1 1 calc R U . . .
H34C H 0.0149 0.7421 0.7755 0.123 Uiso 1 1 calc R U . . .
C35 C 0.1488(7) 0.7789(4) 0.6941(3) 0.101(3) Uani 1 1 d . . . . .
H35A H 0.1520 0.8335 0.7098 0.152 Uiso 1 1 calc R U . . .
H35B H 0.0795 0.7478 0.6708 0.152 Uiso 1 1 calc R U . . .
H35C H 0.2044 0.7723 0.6667 0.152 Uiso 1 1 calc R U . . .
C36 C 0.2784(5) 0.7964(3) 0.7800(3) 0.0727(16) Uani 1 1 d . . . . .
H36A H 0.3288 0.7770 0.7533 0.109 Uiso 1 1 calc R U . . .
H36B H 0.2857 0.7884 0.8197 0.109 Uiso 1 1 calc R U . . .
H36C H 0.2928 0.8516 0.7873 0.109 Uiso 1 1 calc R U . . .
C37 C -0.0178(3) 0.1660(2) 0.6205(2) 0.0493(10) Uani 1 1 d . . . . .
C38 C 0.0018(11) 0.1412(6) 0.6748(6) 0.079(4) Uani 0.531(10) 1 d . . P A 1
H38A H -0.0308 0.0853 0.6635 0.119 Uiso 0.531(10) 1 calc R U P A 1
H38B H -0.0294 0.1680 0.7106 0.119 Uiso 0.531(10) 1 calc R U P A 1
H38C H 0.0781 0.1542 0.6855 0.119 Uiso 0.531(10) 1 calc R U P A 1
C39 C 0.0368(9) 0.1271(5) 0.5681(5) 0.067(3) Uani 0.531(10) 1 d . . P A 1
H39A H 0.0270 0.1431 0.5326 0.101 Uiso 0.531(10) 1 calc R U P A 1
H39B H 0.0063 0.0709 0.5561 0.101 Uiso 0.531(10) 1 calc R U P A 1
H39C H 0.1125 0.1420 0.5814 0.101 Uiso 0.531(10) 1 calc R U P A 1
C40 C -0.1380(8) 0.1374(6) 0.5989(7) 0.081(5) Uani 0.531(10) 1 d . . P A 1
H40A H -0.1508 0.1560 0.5654 0.122 Uiso 0.531(10) 1 calc R U P A 1
H40B H -0.1763 0.1574 0.6337 0.122 Uiso 0.531(10) 1 calc R U P A 1
H40C H -0.1629 0.0808 0.5838 0.122 Uiso 0.531(10) 1 calc R U P A 1
C38B C -0.0506(15) 0.1342(7) 0.5493(6) 0.092(6) Uani 0.469(10) 1 d . . P A 2
H38D H -0.0911 0.0793 0.5365 0.138 Uiso 0.469(10) 1 calc R U P A 2
H38E H 0.0129 0.1405 0.5276 0.138 Uiso 0.469(10) 1 calc R U P A 2
H38F H -0.0944 0.1629 0.5391 0.138 Uiso 0.469(10) 1 calc R U P A 2
C39B C -0.1064(10) 0.1331(6) 0.6532(7) 0.067(4) Uani 0.469(10) 1 d . . P A 2
H39D H -0.0832 0.1509 0.6976 0.101 Uiso 0.469(10) 1 calc R U P A 2
H39E H -0.1269 0.0765 0.6365 0.101 Uiso 0.469(10) 1 calc R U P A 2
H39F H -0.1671 0.1503 0.6470 0.101 Uiso 0.469(10) 1 calc R U P A 2
C40B C 0.0795(10) 0.1411(7) 0.6321(8) 0.082(5) Uani 0.469(10) 1 d . . P A 2
H40D H 0.0958 0.1538 0.6767 0.122 Uiso 0.469(10) 1 calc R U P A 2
H40E H 0.1404 0.1684 0.6157 0.122 Uiso 0.469(10) 1 calc R U P A 2
H40F H 0.0637 0.0852 0.6112 0.122 Uiso 0.469(10) 1 calc R U P A 2
C41 C 0.0768(3) 0.5040(2) 0.85914(16) 0.0324(7) Uani 1 1 d . . . . .
C42 C -0.0007(3) 0.5378(2) 0.85348(18) 0.0364(8) Uani 1 1 d . . . . .
H42 H 0.0095 0.5703 0.8291 0.044 Uiso 1 1 calc R U . . .
C43 C -0.0933(3) 0.5255(2) 0.88269(19) 0.0432(9) Uani 1 1 d . . . . .
C44 C -0.1063(3) 0.4768(3) 0.9158(2) 0.0538(11) Uani 1 1 d . . . . .
H44 H -0.1692 0.4659 0.9351 0.065 Uiso 1 1 calc R U . . .
C45 C -0.0289(4) 0.4423(3) 0.9219(2) 0.0515(11) Uani 1 1 d . . . . .
H45 H -0.0407 0.4089 0.9455 0.062 Uiso 1 1 calc R U . . .
C46 C 0.0637(3) 0.4553(2) 0.89471(18) 0.0370(8) Uani 1 1 d . . . . .
C47 C 0.1453(3) 0.4197(2) 0.90417(18) 0.0383(8) Uani 1 1 d . . . . .
C48 C 0.2471(3) 0.4635(2) 0.92976(19) 0.0423(9) Uani 1 1 d . . . . .
H48 H 0.2663 0.5182 0.9418 0.051 Uiso 1 1 calc R U . . .
C49 C 0.3220(3) 0.4292(2) 0.9382(2) 0.0453(9) Uani 1 1 d . . . . .
H49 H 0.3914 0.4611 0.9560 0.054 Uiso 1 1 calc R U . . .
C51 C 0.1959(4) 0.3061(3) 0.8957(2) 0.0551(11) Uani 1 1 d . . . . .
H51 H 0.1769 0.2514 0.8835 0.066 Uiso 1 1 calc R U . . .
C52 C 0.1202(3) 0.3395(3) 0.8874(2) 0.0489(10) Uani 1 1 d . . . . .
H52 H 0.0505 0.3077 0.8701 0.059 Uiso 1 1 calc R U . . .
C53 C -0.1724(4) 0.5680(3) 0.8764(3) 0.0586(12) Uani 1 1 d . . . . .
C54 C -0.1266(5) 0.6520(4) 0.9195(5) 0.118(3) Uani 1 1 d . . . . .
H54A H -0.1284 0.6541 0.9627 0.177 Uiso 1 1 calc R U . . .
H54B H -0.1687 0.6830 0.9115 0.177 Uiso 1 1 calc R U . . .
H54C H -0.0532 0.6726 0.9119 0.177 Uiso 1 1 calc R U . . .
C55 C -0.1916(5) 0.5637(5) 0.8092(3) 0.088(2) Uani 1 1 d . . . . .
H55A H -0.1260 0.5914 0.7968 0.132 Uiso 1 1 calc R U . . .
H55B H -0.2467 0.5873 0.8059 0.132 Uiso 1 1 calc R U . . .
H55C H -0.2143 0.5095 0.7820 0.132 Uiso 1 1 calc R U . . .
C56 C -0.2795(4) 0.5330(4) 0.8954(3) 0.0719(16) Uani 1 1 d . . . . .
H56A H -0.3067 0.4780 0.8705 0.108 Uiso 1 1 calc R U . . .
H56B H -0.3290 0.5597 0.8888 0.108 Uiso 1 1 calc R U . . .
H56C H -0.2716 0.5387 0.9394 0.108 Uiso 1 1 calc R U . . .
C57 C 0.3803(4) 0.3099(3) 0.9307(3) 0.0587(12) Uani 1 1 d . . . . .
C58 C 0.4865(4) 0.3685(4) 0.9631(4) 0.089(2) Uani 1 1 d . . . . .
H58A H 0.5370 0.3411 0.9664 0.134 Uiso 1 1 calc R U . . .
H58B H 0.4766 0.3997 1.0047 0.134 Uiso 1 1 calc R U . . .
H58C H 0.5138 0.4023 0.9391 0.134 Uiso 1 1 calc R U . . .
C59 C 0.3967(5) 0.2585(4) 0.8670(3) 0.0737(16) Uani 1 1 d . . . . .
H59A H 0.4494 0.2335 0.8719 0.111 Uiso 1 1 calc R U . . .
H59B H 0.4217 0.2903 0.8410 0.111 Uiso 1 1 calc R U . . .
H59C H 0.3296 0.2190 0.8472 0.111 Uiso 1 1 calc R U . . .
C60 C 0.3364(5) 0.2606(3) 0.9712(2) 0.0627(13) Uani 1 1 d . . . . .
H60A H 0.2651 0.2264 0.9534 0.094 Uiso 1 1 calc R U . . .
H60B H 0.3336 0.2945 1.0132 0.094 Uiso 1 1 calc R U . . .
H60C H 0.3826 0.2294 0.9728 0.094 Uiso 1 1 calc R U . . .
C61 C 0.3141(4) 0.2637(3) 0.7187(2) 0.0560(12) Uani 1 1 d . . . . .
C62 C 0.3449(5) 0.1933(3) 0.6914(3) 0.085(2) Uani 1 1 d . . . . .
H62A H 0.4074 0.2047 0.6695 0.127 Uiso 1 1 calc R U . . .
H62B H 0.2864 0.1533 0.6621 0.127 Uiso 1 1 calc R U . . .
H62C H 0.3614 0.1749 0.7242 0.127 Uiso 1 1 calc R U . . .
C50 C 0.2988(3) 0.3495(3) 0.9213(2) 0.0484(10) Uani 1 1 d . . . . .
C100 C 0.5880(3) 0.0842(2) 0.68831(18) 0.0373(8) Uani 1 1 d . . . . .
C101 C 0.5768(3) 0.0817(2) 0.62728(19) 0.0413(9) Uani 1 1 d . . . . .
H101 H 0.5511 0.0329 0.5953 0.050 Uiso 1 1 calc R U . . .
C102 C 0.6020(4) 0.1484(3) 0.6115(2) 0.0470(10) Uani 1 1 d . . . . .
C103 C 0.6392(4) 0.2204(3) 0.6567(2) 0.0480(10) Uani 1 1 d . . . . .
H103 H 0.6569 0.2660 0.6462 0.058 Uiso 1 1 calc R U . . .
C104 C 0.6500(4) 0.2245(2) 0.7176(2) 0.0465(10) Uani 1 1 d . . . . .
C105 C 0.6248(3) 0.1583(2) 0.73329(19) 0.0402(8) Uani 1 1 d . . . . .
H105 H 0.6327 0.1631 0.7757 0.048 Uiso 1 1 calc R U . . .
C106 C 0.5843(5) 0.1414(4) 0.5457(3) 0.0718(15) Uani 1 1 d . . . . .
C107 C 0.6878(5) 0.3016(3) 0.7668(3) 0.0652(14) Uani 1 1 d . . . . .
C108 C 0.4247(3) -0.0001(2) 0.7195(2) 0.0412(9) Uani 1 1 d . . . . .
C109 C 0.3487(3) -0.0245(2) 0.6692(2) 0.0488(10) Uani 1 1 d . . . . .
H109 H 0.3688 -0.0413 0.6286 0.059 Uiso 1 1 calc R U . . .
C110 C 0.2447(4) -0.0250(3) 0.6762(3) 0.0604(13) Uani 1 1 d . . . . .
C111 C 0.2114(4) -0.0025(3) 0.7335(3) 0.0674(16) Uani 1 1 d . . . . .
H111 H 0.1401 -0.0030 0.7380 0.081 Uiso 1 1 calc R U . . .
C112 C 0.2832(4) 0.0208(2) 0.7845(3) 0.0609(14) Uani 1 1 d . . . . .
C113 C 0.3894(4) 0.0236(2) 0.7776(2) 0.0507(11) Uani 1 1 d . . . . .
H113 H 0.4384 0.0421 0.8136 0.061 Uiso 1 1 calc R U . . .
C114 C 0.1697(5) -0.0504(4) 0.6187(4) 0.086(2) Uani 1 1 d . . . . .
C115 C 0.2482(6) 0.0408(4) 0.8481(4) 0.097(3) Uani 1 1 d . . . . .
C116 C 0.6218(3) 0.0113(2) 0.76745(18) 0.0376(8) Uani 1 1 d . . . . .
C117 C 0.5834(4) -0.0312(2) 0.8061(2) 0.0449(9) Uani 1 1 d . . . . .
H117 H 0.5107 -0.0605 0.7998 0.054 Uiso 1 1 calc R U . . .
C118 C 0.6478(4) -0.0321(3) 0.8531(2) 0.0522(11) Uani 1 1 d . . . . .
C119 C 0.7536(4) 0.0079(3) 0.8638(2) 0.0538(11) Uani 1 1 d . . . . .
H119 H 0.7970 0.0069 0.8963 0.065 Uiso 1 1 calc R U . . .
C120 C 0.7957(3) 0.0501(3) 0.8258(2) 0.0493(10) Uani 1 1 d . . . . .
C121 C 0.7300(3) 0.0519(2) 0.77860(19) 0.0434(9) Uani 1 1 d . . . . .
H121 H 0.7599 0.0814 0.7534 0.052 Uiso 1 1 calc R U . . .
C122 C 0.6008(6) -0.0766(4) 0.8934(3) 0.0793(18) Uani 1 1 d . . . . .
C123 C 0.9098(4) 0.0940(5) 0.8348(3) 0.0746(17) Uani 1 1 d . . . . .
C124 C 0.5584(3) -0.0710(2) 0.65355(17) 0.0364(8) Uani 1 1 d . . . . .
C125 C 0.4895(3) -0.1442(2) 0.64523(18) 0.0398(8) Uani 1 1 d . . . . .
H125 H 0.4301 -0.1486 0.6683 0.048 Uiso 1 1 calc R U . . .
C126 C 0.5043(4) -0.2114(2) 0.60441(19) 0.0452(9) Uani 1 1 d . . . . .
C127 C 0.5881(4) -0.2073(3) 0.5702(2) 0.0508(10) Uani 1 1 d . . . . .
H127 H 0.5982 -0.2530 0.5422 0.061 Uiso 1 1 calc R U . . .
C128 C 0.6579(4) -0.1360(3) 0.5769(2) 0.0507(10) Uani 1 1 d . . . . .
C129 C 0.6431(3) -0.0690(2) 0.6182(2) 0.0437(9) Uani 1 1 d . . . . .
H129 H 0.6926 -0.0205 0.6223 0.052 Uiso 1 1 calc R U . . .
C130 C 0.4266(5) -0.2877(3) 0.5972(3) 0.0677(15) Uani 1 1 d . . . . .
C131 C 0.7480(6) -0.1308(4) 0.5398(3) 0.0793(19) Uani 1 1 d . . . . .
F1 F 0.6143(7) 0.2036(3) 0.5344(2) 0.188(4) Uani 1 1 d . . . . .
F2 F 0.4888(5) 0.1112(6) 0.5225(3) 0.215(4) Uani 1 1 d . . . . .
F3 F 0.6217(7) 0.0940(4) 0.5090(2) 0.176(3) Uani 1 1 d . . . . .
F4 F 0.7496(4) 0.3547(2) 0.7518(2) 0.1248(19) Uani 1 1 d . . . . .
F5 F 0.6107(5) 0.3295(3) 0.7833(4) 0.215(5) Uani 1 1 d . . . . .
F6 F 0.7249(10) 0.3030(2) 0.8152(3) 0.287(7) Uani 1 1 d . . . . .
F7 F 0.1839(6) -0.0198(3) 0.8573(3) 0.189(4) Uani 1 1 d . . . . .
F8 F 0.1893(3) 0.0900(3) 0.8552(2) 0.129(2) Uani 1 1 d . . . . .
F9 F 0.3260(4) 0.0776(3) 0.8930(2) 0.1012(13) Uani 1 1 d . . . . .
F10 F 0.1607(5) -0.1199(3) 0.5828(3) 0.169(3) Uani 1 1 d . . . . .
F11 F 0.1974(5) -0.0088(4) 0.5843(3) 0.164(3) Uani 1 1 d . . . . .
F12 F 0.0745(4) -0.0526(5) 0.6288(3) 0.191(3) Uani 1 1 d . . . . .
F13 F 0.6550(6) -0.1093(7) 0.9107(5) 0.250(6) Uani 1 1 d . . . . .
F14 F 0.5155(5) -0.1250(6) 0.8748(4) 0.245(6) Uani 1 1 d . . . . .
F15 F 0.5767(14) -0.0400(5) 0.9409(5) 0.329(9) Uani 1 1 d . . . . .
F16 F 0.9271(3) 0.1643(3) 0.8319(3) 0.1311(19) Uani 1 1 d . . . . .
F17 F 0.9607(3) 0.0653(4) 0.7886(3) 0.145(2) Uani 1 1 d . . . . .
F18 F 0.9591(3) 0.1026(4) 0.8856(3) 0.175(3) Uani 1 1 d . . . . .
F19 F 0.4674(5) -0.3457(2) 0.5781(3) 0.144(2) Uani 1 1 d . . . . .
F20 F 0.3499(6) -0.3069(4) 0.5592(4) 0.239(5) Uani 1 1 d . . . . .
F21 F 0.3926(5) -0.2952(2) 0.6479(2) 0.134(2) Uani 1 1 d . . . . .
F22 F 0.7385(7) -0.1032(9) 0.4986(5) 0.281(7) Uani 1 1 d . . . . .
F23 F 0.7646(6) -0.1909(3) 0.5099(5) 0.244(5) Uani 1 1 d . . . . .
F24 F 0.8312(5) -0.0808(4) 0.5640(4) 0.215(5) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.077(3) . ?
Au1 P1 2.2453(9) . ?
P1 C21 1.820(4) . ?
P1 C1 1.827(4) . ?
P1 C41 1.828(4) . ?
N1 C61 1.099(6) . ?
B1 C100 1.628(6) . ?
B1 C124 1.642(6) . ?
B1 C116 1.642(6) . ?
B1 C108 1.649(6) . ?
C1 C2 1.384(5) . ?
C1 C6 1.406(5) . ?
C2 C3 1.393(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(6) . ?
C3 C13 1.535(5) . ?
C4 C5 1.380(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.496(5) . ?
C7 C12 1.380(6) . ?
C7 C8 1.381(6) . ?
C8 C9 1.388(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.375(7) . ?
C10 C17 1.528(7) . ?
C11 C12 1.383(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C15 1.491(8) . ?
C13 C16 1.511(7) . ?
C13 C14 1.521(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.444(12) . ?
C17 C18 1.448(12) . ?
C17 C20 1.559(13) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.399(5) . ?
C21 C26 1.403(5) . ?
C22 C23 1.386(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(7) . ?
C23 C33 1.522(6) . ?
C24 C25 1.388(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.493(6) . ?
C27 C32 1.379(6) . ?
C27 C28 1.387(6) . ?
C28 C29 1.379(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.396(6) . ?
C30 C37 1.532(6) . ?
C31 C32 1.392(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.524(8) . ?
C33 C35 1.527(8) . ?
C33 C36 1.536(8) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C39B 1.497(12) . ?
C37 C39 1.505(10) . ?
C37 C38 1.518(13) . ?
C37 C40B 1.548(14) . ?
C37 C40 1.552(11) . ?
C37 C38B 1.559(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B H40D 0.9800 . ?
C40B H40E 0.9800 . ?
C40B H40F 0.9800 . ?
C41 C42 1.390(5) . ?
C41 C46 1.406(5) . ?
C42 C43 1.401(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.363(7) . ?
C43 C53 1.535(6) . ?
C44 C45 1.400(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.376(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.486(6) . ?
C47 C48 1.377(6) . ?
C47 C52 1.398(6) . ?
C48 C49 1.384(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(6) . ?
C49 H49 0.9500 . ?
C51 C52 1.380(6) . ?
C51 C50 1.388(6) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C56 1.521(7) . ?
C53 C54 1.531(8) . ?
C53 C55 1.534(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.531(8) . ?
C57 C59 1.532(8) . ?
C57 C60 1.537(8) . ?
C57 C50 1.541(6) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.468(7) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C100 C101 1.393(6) . ?
C100 C105 1.404(5) . ?
C101 C102 1.394(6) . ?
C101 H101 0.9500 . ?
C102 C103 1.379(6) . ?
C102 C106 1.484(7) . ?
C103 C104 1.379(7) . ?
C103 H103 0.9500 . ?
C104 C105 1.384(6) . ?
C104 C107 1.483(6) . ?
C105 H105 0.9500 . ?
C106 F3 1.245(8) . ?
C106 F1 1.260(7) . ?
C106 F2 1.264(8) . ?
C107 F6 1.202(7) . ?
C107 F4 1.260(6) . ?
C107 F5 1.289(8) . ?
C108 C109 1.392(6) . ?
C108 C113 1.394(6) . ?
C109 C110 1.387(6) . ?
C109 H109 0.9500 . ?
C110 C111 1.364(8) . ?
C110 C114 1.504(9) . ?
C111 C112 1.373(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.406(6) . ?
C112 C115 1.497(9) . ?
C113 H113 0.9500 . ?
C114 F12 1.277(8) . ?
C114 F11 1.283(9) . ?
C114 F10 1.291(9) . ?
C115 F7 1.312(8) . ?
C115 F9 1.313(9) . ?
C115 F8 1.364(9) . ?
C116 C117 1.399(6) . ?
C116 C121 1.400(6) . ?
C117 C118 1.381(7) . ?
C117 H117 0.9500 . ?
C118 C119 1.371(7) . ?
C118 C122 1.482(7) . ?
C119 C120 1.391(7) . ?
C119 H119 0.9500 . ?
C120 C121 1.403(6) . ?
C120 C123 1.484(7) . ?
C121 H121 0.9500 . ?
C122 F15 1.191(10) . ?
C122 F14 1.209(8) . ?
C122 F13 1.218(9) . ?
C123 F18 1.274(7) . ?
C123 F17 1.313(8) . ?
C123 F16 1.327(8) . ?
C124 C129 1.389(6) . ?
C124 C125 1.393(5) . ?
C125 C126 1.393(6) . ?
C125 H125 0.9500 . ?
C126 C127 1.363(6) . ?
C126 C130 1.489(7) . ?
C127 C128 1.376(6) . ?
C127 H127 0.9500 . ?
C128 C129 1.395(6) . ?
C128 C131 1.471(7) . ?
C129 H129 0.9500 . ?
C130 F20 1.226(8) . ?
C130 F21 1.286(7) . ?
C130 F19 1.326(7) . ?
C131 F23 1.218(7) . ?
C131 F24 1.220(8) . ?
C131 F22 1.248(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Au1 P1 178.96(10) . . ?
C21 P1 C1 102.81(17) . . ?
C21 P1 C41 105.95(18) . . ?
C1 P1 C41 105.21(16) . . ?
C21 P1 Au1 113.31(12) . . ?
C1 P1 Au1 115.54(12) . . ?
C41 P1 Au1 112.98(12) . . ?
C61 N1 Au1 177.4(4) . . ?
C100 B1 C124 113.2(3) . . ?
C100 B1 C116 113.4(3) . . ?
C124 B1 C116 102.7(3) . . ?
C100 B1 C108 103.2(3) . . ?
C124 B1 C108 111.0(3) . . ?
C116 B1 C108 113.6(3) . . ?
C2 C1 C6 120.3(3) . . ?
C2 C1 P1 120.0(3) . . ?
C6 C1 P1 119.4(3) . . ?
C1 C2 C3 122.3(4) . . ?
C1 C2 H2 118.8 . . ?
C3 C2 H2 118.8 . . ?
C4 C3 C2 116.9(4) . . ?
C4 C3 C13 122.5(4) . . ?
C2 C3 C13 120.4(4) . . ?
C5 C4 C3 121.6(4) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 121.8(4) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 117.0(4) . . ?
C5 C6 C7 120.3(3) . . ?
C1 C6 C7 122.7(3) . . ?
C12 C7 C8 118.9(4) . . ?
C12 C7 C6 121.0(4) . . ?
C8 C7 C6 120.0(4) . . ?
C7 C8 C9 119.8(4) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 121.8(5) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C11 C10 C9 117.2(4) . . ?
C11 C10 C17 121.9(5) . . ?
C9 C10 C17 120.9(5) . . ?
C10 C11 C12 121.9(4) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C7 C12 C11 120.4(4) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C15 C13 C16 109.9(5) . . ?
C15 C13 C14 112.2(7) . . ?
C16 C13 C14 105.5(6) . . ?
C15 C13 C3 108.5(4) . . ?
C16 C13 C3 112.0(4) . . ?
C14 C13 C3 108.8(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C18 118.8(9) . . ?
C19 C17 C10 111.5(6) . . ?
C18 C17 C10 114.1(6) . . ?
C19 C17 C20 97.1(9) . . ?
C18 C17 C20 103.7(9) . . ?
C10 C17 C20 109.4(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 118.9(4) . . ?
C22 C21 P1 118.4(3) . . ?
C26 C21 P1 122.6(3) . . ?
C23 C22 C21 123.6(4) . . ?
C23 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C22 C23 C24 115.9(4) . . ?
C22 C23 C33 119.5(4) . . ?
C24 C23 C33 124.6(4) . . ?
C25 C24 C23 121.2(5) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C26 C25 C24 122.5(4) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
C25 C26 C21 117.6(4) . . ?
C25 C26 C27 120.1(4) . . ?
C21 C26 C27 122.2(4) . . ?
C32 C27 C28 117.6(4) . . ?
C32 C27 C26 121.9(4) . . ?
C28 C27 C26 120.3(4) . . ?
C29 C28 C27 121.2(4) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 122.1(4) . . ?
C28 C29 H29 119.0 . . ?
C30 C29 H29 118.9 . . ?
C29 C30 C31 116.3(4) . . ?
C29 C30 C37 121.8(4) . . ?
C31 C30 C37 122.0(4) . . ?
C32 C31 C30 121.6(4) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C27 C32 C31 121.2(4) . . ?
C27 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C23 C33 C34 107.8(4) . . ?
C23 C33 C35 111.8(4) . . ?
C34 C33 C35 110.0(6) . . ?
C23 C33 C36 109.9(4) . . ?
C34 C33 C36 108.9(5) . . ?
C35 C33 C36 108.4(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C39 C37 C38 107.6(8) . . ?
C39B C37 C30 114.4(6) . . ?
C39 C37 C30 114.4(5) . . ?
C38 C37 C30 110.1(5) . . ?
C39B C37 C40B 109.6(9) . . ?
C30 C37 C40B 107.8(5) . . ?
C39 C37 C40 107.9(7) . . ?
C38 C37 C40 109.7(8) . . ?
C30 C37 C40 107.1(5) . . ?
C39B C37 C38B 110.3(9) . . ?
C30 C37 C38B 106.9(6) . . ?
C40B C37 C38B 107.6(10) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C38B H38D 109.5 . . ?
C37 C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C37 C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C37 C39B H39D 109.5 . . ?
C37 C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C37 C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C37 C40B H40D 109.5 . . ?
C37 C40B H40E 109.5 . . ?
H40D C40B H40E 109.5 . . ?
C37 C40B H40F 109.5 . . ?
H40D C40B H40F 109.5 . . ?
H40E C40B H40F 109.5 . . ?
C42 C41 C46 120.3(3) . . ?
C42 C41 P1 117.7(3) . . ?
C46 C41 P1 121.9(3) . . ?
C41 C42 C43 122.0(4) . . ?
C41 C42 H42 119.0 . . ?
C43 C42 H42 119.0 . . ?
C44 C43 C42 117.1(4) . . ?
C44 C43 C53 124.2(4) . . ?
C42 C43 C53 118.6(4) . . ?
C43 C44 C45 121.4(4) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
C46 C45 C44 122.1(4) . . ?
C46 C45 H45 118.9 . . ?
C44 C45 H45 118.9 . . ?
C45 C46 C41 117.0(4) . . ?
C45 C46 C47 120.3(4) . . ?
C41 C46 C47 122.7(3) . . ?
C48 C47 C52 117.6(4) . . ?
C48 C47 C46 122.1(4) . . ?
C52 C47 C46 120.3(4) . . ?
C47 C48 C49 121.1(4) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 H48 119.4 . . ?
C48 C49 C50 122.1(4) . . ?
C48 C49 H49 119.0 . . ?
C50 C49 H49 119.0 . . ?
C52 C51 C50 122.3(4) . . ?
C52 C51 H51 118.8 . . ?
C50 C51 H51 118.8 . . ?
C51 C52 C47 120.6(4) . . ?
C51 C52 H52 119.7 . . ?
C47 C52 H52 119.7 . . ?
C56 C53 C54 108.8(5) . . ?
C56 C53 C55 106.9(5) . . ?
C54 C53 C55 111.0(6) . . ?
C56 C53 C43 111.6(5) . . ?
C54 C53 C43 107.2(4) . . ?
C55 C53 C43 111.3(4) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C59 109.4(5) . . ?
C58 C57 C60 108.4(5) . . ?
C59 C57 C60 110.3(4) . . ?
C58 C57 C50 112.0(4) . . ?
C59 C57 C50 108.2(4) . . ?
C60 C57 C50 108.4(4) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N1 C61 C62 179.0(7) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C51 C50 C49 116.3(4) . . ?
C51 C50 C57 120.6(4) . . ?
C49 C50 C57 123.1(4) . . ?
C101 C100 C105 115.8(4) . . ?
C101 C100 B1 122.5(3) . . ?
C105 C100 B1 121.5(4) . . ?
C100 C101 C102 122.3(4) . . ?
C100 C101 H101 118.8 . . ?
C102 C101 H101 118.8 . . ?
C103 C102 C101 120.5(4) . . ?
C103 C102 C106 120.2(4) . . ?
C101 C102 C106 119.2(4) . . ?
C102 C103 C104 118.4(4) . . ?
C102 C103 H103 120.8 . . ?
C104 C103 H103 120.8 . . ?
C103 C104 C105 121.1(4) . . ?
C103 C104 C107 118.9(4) . . ?
C105 C104 C107 120.0(4) . . ?
C104 C105 C100 121.9(4) . . ?
C104 C105 H105 119.0 . . ?
C100 C105 H105 119.0 . . ?
F3 C106 F1 107.9(7) . . ?
F3 C106 F2 98.0(7) . . ?
F1 C106 F2 104.7(7) . . ?
F3 C106 C102 114.2(5) . . ?
F1 C106 C102 115.7(5) . . ?
F2 C106 C102 114.4(6) . . ?
F6 C107 F4 108.2(7) . . ?
F6 C107 F5 102.2(8) . . ?
F4 C107 F5 101.3(6) . . ?
F6 C107 C104 115.9(5) . . ?
F4 C107 C104 116.2(5) . . ?
F5 C107 C104 111.1(5) . . ?
C109 C108 C113 115.5(4) . . ?
C109 C108 B1 119.6(4) . . ?
C113 C108 B1 124.6(4) . . ?
C110 C109 C108 122.5(5) . . ?
C110 C109 H109 118.8 . . ?
C108 C109 H109 118.8 . . ?
C111 C110 C109 121.1(5) . . ?
C111 C110 C114 120.8(5) . . ?
C109 C110 C114 118.2(6) . . ?
C110 C111 C112 118.5(5) . . ?
C110 C111 H111 120.7 . . ?
C112 C111 H111 120.7 . . ?
C111 C112 C113 120.5(5) . . ?
C111 C112 C115 120.2(5) . . ?
C113 C112 C115 119.3(6) . . ?
C108 C113 C112 121.8(5) . . ?
C108 C113 H113 119.1 . . ?
C112 C113 H113 119.1 . . ?
F12 C114 F11 106.5(7) . . ?
F12 C114 F10 103.5(7) . . ?
F11 C114 F10 104.7(8) . . ?
F12 C114 C110 114.4(7) . . ?
F11 C114 C110 113.9(6) . . ?
F10 C114 C110 112.8(5) . . ?
F7 C115 F9 111.3(9) . . ?
F7 C115 F8 103.9(6) . . ?
F9 C115 F8 104.3(5) . . ?
F7 C115 C112 111.9(5) . . ?
F9 C115 C112 114.3(5) . . ?
F8 C115 C112 110.3(7) . . ?
C117 C116 C121 115.9(4) . . ?
C117 C116 B1 122.7(4) . . ?
C121 C116 B1 121.1(4) . . ?
C118 C117 C116 122.0(4) . . ?
C118 C117 H117 119.0 . . ?
C116 C117 H117 119.0 . . ?
C119 C118 C117 121.7(4) . . ?
C119 C118 C122 119.3(5) . . ?
C117 C118 C122 119.0(5) . . ?
C118 C119 C120 118.3(4) . . ?
C118 C119 H119 120.9 . . ?
C120 C119 H119 120.9 . . ?
C119 C120 C121 120.1(4) . . ?
C119 C120 C123 120.8(4) . . ?
C121 C120 C123 119.1(4) . . ?
C116 C121 C120 122.0(4) . . ?
C116 C121 H121 119.0 . . ?
C120 C121 H121 119.0 . . ?
F15 C122 F14 97.3(10) . . ?
F15 C122 F13 102.5(9) . . ?
F14 C122 F13 104.8(8) . . ?
F15 C122 C118 115.2(6) . . ?
F14 C122 C118 117.4(6) . . ?
F13 C122 C118 116.9(7) . . ?
F18 C123 F17 109.2(6) . . ?
F18 C123 F16 106.4(7) . . ?
F17 C123 F16 99.6(6) . . ?
F18 C123 C120 115.0(5) . . ?
F17 C123 C120 112.6(6) . . ?
F16 C123 C120 112.8(5) . . ?
C129 C124 C125 115.6(4) . . ?
C129 C124 B1 121.6(3) . . ?
C125 C124 B1 122.3(3) . . ?
C124 C125 C126 122.5(4) . . ?
C124 C125 H125 118.8 . . ?
C126 C125 H125 118.8 . . ?
C127 C126 C125 120.4(4) . . ?
C127 C126 C130 120.1(4) . . ?
C125 C126 C130 119.5(4) . . ?
C126 C127 C128 119.0(4) . . ?
C126 C127 H127 120.5 . . ?
C128 C127 H127 120.5 . . ?
C127 C128 C129 120.4(4) . . ?
C127 C128 C131 119.5(4) . . ?
C129 C128 C131 120.1(4) . . ?
C124 C129 C128 122.2(4) . . ?
C124 C129 H129 118.9 . . ?
C128 C129 H129 118.9 . . ?
F20 C130 F21 108.2(7) . . ?
F20 C130 F19 104.0(6) . . ?
F21 C130 F19 100.7(5) . . ?
F20 C130 C126 114.5(5) . . ?
F21 C130 C126 114.9(4) . . ?
F19 C130 C126 113.1(5) . . ?
F23 C131 F24 110.3(8) . . ?
F23 C131 F22 101.5(9) . . ?
F24 C131 F22 93.1(8) . . ?
F23 C131 C128 117.5(6) . . ?
F24 C131 C128 117.7(6) . . ?
F22 C131 C128 113.0(7) . . ?

_refine_diff_density_max         1.769
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.091



