#------------------------------------------------------------------------------
#$Date: 2021-08-03 22:36:46 +0300 (Tue, 03 Aug 2021) $
#$Revision: 267913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/89/4518939.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4518939
loop_
_publ_author_name
'Daley, Ryan A.'
'Morrenzin, Aaron S.'
'Neufeldt, Sharon R.'
'Topczewski, Joseph J.'
_publ_section_title
;
 Mechanistic Investigation into the Gold-Catalyzed Decarboxylative
 Cross-Coupling of Iodoarenes
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              9578
_journal_page_last               9587
_journal_paper_doi               10.1021/acscatal.1c01631
_journal_year                    2021
_chemical_formula_moiety         'C65 H93 Au2 F2 O2 P2, C6 H6, Sb F6'
_chemical_formula_sum            'C71 H99 Au2 F8 O2 P2 Sb'
_chemical_formula_weight         1714.12
_chemical_name_common            'Carboxylate Dimer'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 103.520(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8193(9)
_cell_length_b                   16.1233(9)
_cell_length_c                   28.3586(15)
_cell_measurement_reflns_used    9373
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      2.54
_cell_volume                     7032.7(7)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'APEX3 Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXLE-(Rev. 825)(Huebschle, C. B., 2011)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      125(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Photon-II CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1045
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            144739
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.417
_diffrn_reflns_theta_min         2.086
_diffrn_source                   micro
_exptl_absorpt_coefficient_mu    4.652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       plate
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.017
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.003
_exptl_transmission_factor_max   0.2602
_exptl_transmission_factor_min   0.2177
_refine_diff_density_max         3.362
_refine_diff_density_min         -2.078
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         14447
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0374P)²+28.4082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.1036
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10360
_reflns_number_total             14447
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs1c01631_si_007.cif
_cod_data_source_block           21048z_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4518939
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.925
_shelx_estimated_absorpt_t_max   0.986
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.25677(2) 0.45052(2) 0.61914(2) 0.02183(7) Uani 1 1 d . . . . .
Sb1 Sb 0.04786(3) 0.43879(3) 0.21845(2) 0.03453(13) Uani 1 1 d . . . . .
F1 F 0.2468(3) 0.4492(2) 0.43653(14) 0.0327(9) Uani 1 1 d . . . . .
O1 O 0.1789(3) 0.4629(3) 0.54876(15) 0.0229(10) Uani 1 1 d . . . . .
C1 C 0.4253(4) 0.5056(4) 0.7118(2) 0.0236(14) Uani 1 1 d . . . . .
P1 P 0.32753(11) 0.44083(11) 0.69685(6) 0.0224(4) Uani 1 1 d . . . . .
Au2 Au 0.25039(2) 0.25955(2) 0.47427(2) 0.02455(7) Uani 1 1 d . . . . .
O2 O 0.2239(3) 0.3436(3) 0.52527(15) 0.0261(10) Uani 1 1 d . . . . .
F2 F -0.0023(3) 0.4079(3) 0.49541(14) 0.0365(10) Uani 1 1 d . . . . .
C2 C 0.4783(4) 0.4991(4) 0.7589(2) 0.0280(16) Uani 1 1 d . . . . .
H2 H 0.458961 0.466131 0.782081 0.034 Uiso 1 1 calc R U . . .
P2 P 0.29985(12) 0.17387(11) 0.42516(6) 0.0253(4) Uani 1 1 d . . . . .
F3 F 0.1632(3) 0.4667(4) 0.2205(2) 0.0714(17) Uani 1 1 d . . . . .
C3 C 0.5575(5) 0.5387(5) 0.7728(3) 0.0379(19) Uani 1 1 d . . . . .
H02W H 0.591374 0.533368 0.805020 0.045 Uiso 1 1 calc R U . . .
C6 C 0.4534(4) 0.5588(4) 0.6786(2) 0.0219(14) Uani 1 1 d . . . . .
F6 F 0.0863(4) 0.3505(4) 0.26006(19) 0.0747(17) Uani 1 1 d . . . . .
C5 C 0.5347(5) 0.5965(5) 0.6939(3) 0.0344(18) Uani 1 1 d . . . . .
H5 H 0.554749 0.631022 0.671655 0.041 Uiso 1 1 calc R U . . .
F5 F 0.0467(3) 0.5069(3) 0.27173(16) 0.0562(14) Uani 1 1 d . . . . .
C4 C 0.5871(5) 0.5862(5) 0.7396(3) 0.0355(18) Uani 1 1 d . . . . .
H02S H 0.642896 0.611365 0.748081 0.043 Uiso 1 1 calc R U . . .
F4 F 0.0080(4) 0.5269(3) 0.17708(18) 0.0632(15) Uani 1 1 d . . . . .
C8 C 0.3517(4) 0.6513(4) 0.6193(3) 0.0286(16) Uani 1 1 d . . . . .
F8 F -0.0668(3) 0.4075(3) 0.21664(17) 0.0544(13) Uani 1 1 d . . . . .
C7 C 0.4035(4) 0.5795(4) 0.6278(2) 0.0235(14) Uani 1 1 d . . . . .
F7 F 0.0476(3) 0.3704(3) 0.16504(16) 0.0497(12) Uani 1 1 d . . . . .
C9 C 0.3096(4) 0.6714(4) 0.5714(3) 0.0294(16) Uani 1 1 d . . . . .
H9 H 0.273435 0.719083 0.565697 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3190(4) 0.6242(4) 0.5320(3) 0.0270(15) Uani 1 1 d . . . . .
C11 C 0.3736(4) 0.5561(4) 0.5413(2) 0.0250(15) Uani 1 1 d . . . . .
H11 H 0.381503 0.523763 0.514616 0.030 Uiso 1 1 calc R U . . .
C12 C 0.4175(4) 0.5327(4) 0.5878(2) 0.0208(14) Uani 1 1 d . . . . .
C13 C 0.3437(5) 0.7093(5) 0.6598(3) 0.0331(17) Uani 1 1 d . . . . .
H13 H 0.357587 0.676926 0.690694 0.040 Uiso 1 1 calc R U . . .
C14 C 0.4098(6) 0.7807(5) 0.6649(3) 0.046(2) Uani 1 1 d . . . . .
H038 H 0.401754 0.818705 0.690459 0.070 Uiso 1 1 calc R U . . .
H039 H 0.400901 0.810859 0.634094 0.070 Uiso 1 1 calc R U . . .
H03A H 0.468960 0.758120 0.673349 0.070 Uiso 1 1 calc R U . . .
C39 C 0.2564(5) -0.0711(5) 0.3963(3) 0.0388(19) Uani 1 1 d . . . . .
H02L H 0.277048 -0.110472 0.376705 0.047 Uiso 1 1 calc R U . . .
C38 C 0.2861(5) 0.0083(5) 0.3993(3) 0.0318(17) Uani 1 1 d . . . . .
H037 H 0.326562 0.023868 0.380853 0.038 Uiso 1 1 calc R U . . .
C37 C 0.2591(5) 0.0682(4) 0.4287(2) 0.0262(15) Uani 1 1 d . . . . .
C16 C 0.2743(4) 0.6473(4) 0.4801(2) 0.0269(15) Uani 1 1 d . . . . .
H16 H 0.277485 0.597683 0.459415 0.032 Uiso 1 1 calc R U . . .
C17 C 0.3234(5) 0.7175(5) 0.4620(3) 0.0350(18) Uani 1 1 d . . . . .
H022 H 0.298629 0.726607 0.427309 0.052 Uiso 1 1 calc R U . . .
H023 H 0.384894 0.702428 0.466958 0.052 Uiso 1 1 calc R U . . .
H024 H 0.318184 0.768358 0.479946 0.052 Uiso 1 1 calc R U . . .
C24 C 0.4314(6) 0.3140(5) 0.6786(3) 0.053(2) Uani 1 1 d . . . . .
H01G H 0.446992 0.255088 0.680530 0.079 Uiso 1 1 calc R U . . .
H01H H 0.483699 0.347507 0.690532 0.079 Uiso 1 1 calc R U . . .
H01I H 0.405221 0.328769 0.644811 0.079 Uiso 1 1 calc R U . . .
C23 C 0.4067(6) 0.3071(5) 0.7618(3) 0.048(2) Uani 1 1 d . . . . .
H02Y H 0.412699 0.246650 0.764384 0.072 Uiso 1 1 calc R U . . .
H02Z H 0.369528 0.326464 0.782777 0.072 Uiso 1 1 calc R U . . .
H030 H 0.464206 0.332875 0.772008 0.072 Uiso 1 1 calc R U . . .
C30 C 0.1802(4) 0.4088(4) 0.5172(2) 0.0214(14) Uani 1 1 d . . . . .
C22 C 0.3661(4) 0.3307(4) 0.7097(2) 0.0275(15) Uani 1 1 d . . . . .
C18 C 0.1795(5) 0.6684(6) 0.4738(3) 0.046(2) Uani 1 1 d . . . . .
H031 H 0.152809 0.676634 0.439335 0.069 Uiso 1 1 calc R U . . .
H032 H 0.174122 0.719368 0.491719 0.069 Uiso 1 1 calc R U . . .
H033 H 0.150056 0.622881 0.486393 0.069 Uiso 1 1 calc R U . . .
C33 C 0.1077(5) 0.4622(5) 0.3829(3) 0.0390(19) Uani 1 1 d . . . . .
H33 H 0.133695 0.475025 0.356789 0.047 Uiso 1 1 calc R U . . .
C32 C 0.1592(4) 0.4461(4) 0.4288(2) 0.0268(15) Uani 1 1 d . . . . .
C31 C 0.1248(4) 0.4263(4) 0.4676(2) 0.0225(14) Uani 1 1 d . . . . .
C19 C 0.4823(4) 0.4618(4) 0.5948(2) 0.0217(14) Uani 1 1 d . . . . .
H19 H 0.492428 0.442983 0.629253 0.026 Uiso 1 1 calc R U . . .
C20 C 0.5691(4) 0.4939(5) 0.5867(3) 0.0314(17) Uani 1 1 d . . . . .
H01Q H 0.610556 0.447872 0.589841 0.047 Uiso 1 1 calc R U . . .
H01R H 0.592358 0.536490 0.610890 0.047 Uiso 1 1 calc R U . . .
H01S H 0.559949 0.517828 0.554099 0.047 Uiso 1 1 calc R U . . .
C25 C 0.2898(5) 0.2714(5) 0.6912(4) 0.051(2) Uani 1 1 d . . . . .
H01M H 0.311184 0.214114 0.693544 0.077 Uiso 1 1 calc R U . . .
H01N H 0.262669 0.284322 0.657237 0.077 Uiso 1 1 calc R U . . .
H01O H 0.246926 0.277787 0.710843 0.077 Uiso 1 1 calc R U . . .
C28 C 0.2253(6) 0.5657(5) 0.7176(3) 0.044(2) Uani 1 1 d . . . . .
H02E H 0.180378 0.585777 0.733421 0.067 Uiso 1 1 calc R U . . .
H02F H 0.202382 0.565573 0.682345 0.067 Uiso 1 1 calc R U . . .
H02G H 0.276146 0.602129 0.725906 0.067 Uiso 1 1 calc R U . . .
C27 C 0.2879(5) 0.4788(6) 0.7895(2) 0.044(2) Uani 1 1 d . . . . .
H014 H 0.243032 0.498511 0.805440 0.066 Uiso 1 1 calc R U . . .
H016 H 0.338228 0.515967 0.797354 0.066 Uiso 1 1 calc R U . . .
H019 H 0.305818 0.422629 0.800836 0.066 Uiso 1 1 calc R U . . .
C26 C 0.2516(4) 0.4775(4) 0.7349(2) 0.0242(15) Uani 1 1 d . . . . .
C29 C 0.1701(5) 0.4236(5) 0.7238(3) 0.0388(19) Uani 1 1 d . . . . .
H01W H 0.125202 0.449363 0.737559 0.058 Uiso 1 1 calc R U . . .
H01X H 0.184043 0.368494 0.738015 0.058 Uiso 1 1 calc R U . . .
H01Y H 0.148711 0.418398 0.688548 0.058 Uiso 1 1 calc R U . . .
C15 C 0.2523(5) 0.7449(5) 0.6537(3) 0.044(2) Uani 1 1 d . . . . .
H02P H 0.247869 0.772885 0.683751 0.065 Uiso 1 1 calc R U . . .
H02Q H 0.209595 0.699874 0.646657 0.065 Uiso 1 1 calc R U . . .
H02R H 0.240747 0.784834 0.626934 0.065 Uiso 1 1 calc R U . . .
C34 C 0.0202(5) 0.4594(5) 0.3759(3) 0.0380(19) Uani 1 1 d . . . . .
H02D H -0.015274 0.469226 0.344386 0.046 Uiso 1 1 calc R U . . .
C40 C 0.1955(5) -0.0940(5) 0.4221(3) 0.0393(19) Uani 1 1 d . . . . .
H02K H 0.173843 -0.149139 0.420180 0.047 Uiso 1 1 calc R U . . .
C41 C 0.1669(4) -0.0367(4) 0.4503(3) 0.0302(16) Uani 1 1 d . . . . .
H01Z H 0.124408 -0.053007 0.467214 0.036 Uiso 1 1 calc R U . . .
C42 C 0.1976(4) 0.0452(4) 0.4552(2) 0.0220(14) Uani 1 1 d . . . . .
C43 C 0.1617(4) 0.0973(4) 0.4901(2) 0.0220(14) Uani 1 1 d . . . . .
C44 C 0.0799(4) 0.1345(4) 0.4755(2) 0.0255(15) Uani 1 1 d . . . . .
C45 C 0.0412(4) 0.1695(4) 0.5097(2) 0.0280(16) Uani 1 1 d . . . . .
H45 H -0.014686 0.193949 0.499248 0.034 Uiso 1 1 calc R U . . .
C46 C 0.0816(4) 0.1702(4) 0.5592(2) 0.0271(15) Uani 1 1 d . . . . .
C47 C 0.1628(4) 0.1337(4) 0.5730(2) 0.0291(16) Uani 1 1 d . . . . .
H47 H 0.191899 0.134179 0.606350 0.035 Uiso 1 1 calc R U . . .
C48 C 0.2035(4) 0.0964(4) 0.5399(2) 0.0284(16) Uani 1 1 d . . . . .
C49 C 0.0278(5) 0.1332(5) 0.4228(3) 0.0326(17) Uani 1 1 d . . . . .
H021 H 0.066860 0.111479 0.402529 0.039 Uiso 1 1 calc R U . . .
C21 C 0.4513(5) 0.3870(4) 0.5624(2) 0.0302(16) Uani 1 1 d . . . . .
H01A H 0.491152 0.340450 0.572639 0.045 Uiso 1 1 calc R U . . .
H01B H 0.450011 0.401259 0.528655 0.045 Uiso 1 1 calc R U . . .
H01C H 0.392769 0.371358 0.565140 0.045 Uiso 1 1 calc R U . . .
C52 C 0.0346(5) 0.2095(5) 0.5950(2) 0.0302(16) Uani 1 1 d . . . . .
H01P H -0.029107 0.205049 0.580134 0.036 Uiso 1 1 calc R U . . .
C53 C 0.0554(5) 0.3009(5) 0.6019(3) 0.0337(17) Uani 1 1 d . . . . .
H01J H 0.024068 0.324360 0.624774 0.051 Uiso 1 1 calc R U . . .
H01K H 0.037560 0.329551 0.570656 0.051 Uiso 1 1 calc R U . . .
H01L H 0.118108 0.308088 0.614734 0.051 Uiso 1 1 calc R U . . .
C54 C 0.0514(6) 0.1637(5) 0.6427(3) 0.044(2) Uani 1 1 d . . . . .
H034 H 0.015502 0.187516 0.663156 0.067 Uiso 1 1 calc R U . . .
H035 H 0.112966 0.168805 0.659222 0.067 Uiso 1 1 calc R U . . .
H036 H 0.036713 0.104937 0.636805 0.067 Uiso 1 1 calc R U . . .
C36 C 0.0350(4) 0.4260(4) 0.4586(2) 0.0276(15) Uani 1 1 d . . . . .
C35 C -0.0184(5) 0.4426(5) 0.4137(2) 0.0327(17) Uani 1 1 d . . . . .
H02C H -0.079909 0.442352 0.409023 0.039 Uiso 1 1 calc R U . . .
C55 C 0.2907(4) 0.0539(5) 0.5583(3) 0.0366(19) Uani 1 1 d . . . . .
H020 H 0.317883 0.046507 0.530111 0.044 Uiso 1 1 calc R U . . .
C56 C 0.3533(5) 0.1053(7) 0.5966(3) 0.057(3) Uani 1 1 d . . . . .
H02T H 0.411642 0.081133 0.602515 0.085 Uiso 1 1 calc R U . . .
H02U H 0.333337 0.105147 0.626863 0.085 Uiso 1 1 calc R U . . .
H02V H 0.354829 0.162388 0.585062 0.085 Uiso 1 1 calc R U . . .
C57 C 0.2778(5) -0.0327(6) 0.5784(3) 0.051(2) Uani 1 1 d . . . . .
H03E H 0.334291 -0.060284 0.588792 0.077 Uiso 1 1 calc R U . . .
H03F H 0.239886 -0.065728 0.552958 0.077 Uiso 1 1 calc R U . . .
H03G H 0.251032 -0.027185 0.606063 0.077 Uiso 1 1 calc R U . . .
C58 C 0.2655(4) 0.2066(4) 0.3595(2) 0.0275(16) Uani 1 1 d . . . . .
C59 C 0.3223(5) 0.1749(5) 0.3264(3) 0.0396(19) Uani 1 1 d . . . . .
H02H H 0.303531 0.200685 0.294338 0.059 Uiso 1 1 calc R U . . .
H02I H 0.316665 0.114554 0.323177 0.059 Uiso 1 1 calc R U . . .
H02J H 0.383207 0.189347 0.340444 0.059 Uiso 1 1 calc R U . . .
C60 C 0.1730(5) 0.1756(5) 0.3390(3) 0.0394(19) Uani 1 1 d . . . . .
H026 H 0.152819 0.194830 0.305412 0.059 Uiso 1 1 calc R U . . .
H027 H 0.134529 0.197339 0.358562 0.059 Uiso 1 1 calc R U . . .
H028 H 0.172276 0.114869 0.339675 0.059 Uiso 1 1 calc R U . . .
C61 C 0.2622(5) 0.3017(5) 0.3567(3) 0.0350(18) Uani 1 1 d . . . . .
H01D H 0.244597 0.318968 0.322665 0.052 Uiso 1 1 calc R U . . .
H01E H 0.319892 0.324359 0.371310 0.052 Uiso 1 1 calc R U . . .
H01F H 0.220127 0.322497 0.374286 0.052 Uiso 1 1 calc R U . . .
C62 C 0.4218(4) 0.1723(4) 0.4472(2) 0.0272(15) Uani 1 1 d . . . . .
C63 C 0.4705(5) 0.1057(5) 0.4261(3) 0.044(2) Uani 1 1 d . . . . .
H03H H 0.533191 0.113090 0.438731 0.066 Uiso 1 1 calc R U . . .
H03I H 0.456316 0.110415 0.390709 0.066 Uiso 1 1 calc R U . . .
H03J H 0.453203 0.050859 0.435416 0.066 Uiso 1 1 calc R U . . .
C65 C 0.4430(5) 0.1598(5) 0.5021(3) 0.0389(19) Uani 1 1 d . . . . .
H010 H 0.505983 0.164343 0.515038 0.058 Uiso 1 1 calc R U . . .
H012 H 0.423335 0.104763 0.509533 0.058 Uiso 1 1 calc R U . . .
H013 H 0.413418 0.202359 0.516999 0.058 Uiso 1 1 calc R U . . .
C66 C 0.2387(6) 0.5964(6) 0.3129(4) 0.058(3) Uani 1 1 d . . . . .
H03D H 0.229168 0.538525 0.315185 0.070 Uiso 1 1 calc R U . . .
C67 C 0.3170(6) 0.6226(5) 0.3050(3) 0.048(2) Uani 1 1 d . . . . .
H025 H 0.360706 0.584102 0.301694 0.058 Uiso 1 1 calc R U . . .
C68 C 0.3297(6) 0.7079(6) 0.3020(3) 0.053(2) Uani 1 1 d . . . . .
H03C H 0.382957 0.728143 0.296423 0.063 Uiso 1 1 calc R U . . .
C69 C 0.2663(6) 0.7628(6) 0.3070(3) 0.048(2) Uani 1 1 d . . . . .
H03B H 0.274979 0.820846 0.304832 0.058 Uiso 1 1 calc R U . . .
C70 C 0.1900(6) 0.7325(6) 0.3153(3) 0.053(2) Uani 1 1 d . . . . .
H02X H 0.146635 0.770515 0.319708 0.064 Uiso 1 1 calc R U . . .
C71 C 0.1745(6) 0.6493(6) 0.3175(4) 0.063(3) Uani 1 1 d . . . . .
H03K H 0.120558 0.629263 0.322111 0.076 Uiso 1 1 calc R U . . .
C64 C 0.4571(5) 0.2585(5) 0.4374(3) 0.0359(18) Uani 1 1 d . . . . .
H01T H 0.518074 0.263283 0.455054 0.054 Uiso 1 1 calc R U . . .
H01U H 0.422791 0.301821 0.448443 0.054 Uiso 1 1 calc R U . . .
H01V H 0.452849 0.264863 0.402590 0.054 Uiso 1 1 calc R U . . .
C51 C -0.0491(5) 0.0741(6) 0.4168(3) 0.053(2) Uani 1 1 d . . . . .
H02M H -0.077742 0.069068 0.382298 0.079 Uiso 1 1 calc R U . . .
H02N H -0.090614 0.095701 0.434532 0.079 Uiso 1 1 calc R U . . .
H02O H -0.028495 0.019425 0.429642 0.079 Uiso 1 1 calc R U . . .
C50 C -0.0011(5) 0.2196(5) 0.4044(3) 0.043(2) Uani 1 1 d . . . . .
H029 H -0.024146 0.217946 0.369223 0.065 Uiso 1 1 calc R U . . .
H02A H 0.048700 0.257515 0.412152 0.065 Uiso 1 1 calc R U . . .
H02B H -0.046429 0.239213 0.420098 0.065 Uiso 1 1 calc R U . . .
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Au1 P1 174.07(12) . . ?
F4 Sb1 F6 179.2(3) . . ?
F4 Sb1 F3 91.1(3) . . ?
F6 Sb1 F3 89.6(3) . . ?
F4 Sb1 F8 90.3(2) . . ?
F6 Sb1 F8 89.0(3) . . ?
F3 Sb1 F8 178.3(3) . . ?
F4 Sb1 F5 89.7(2) . . ?
F6 Sb1 F5 90.0(2) . . ?
F3 Sb1 F5 91.6(2) . . ?
F8 Sb1 F5 89.3(2) . . ?
F4 Sb1 F7 90.2(2) . . ?
F6 Sb1 F7 90.0(2) . . ?
F3 Sb1 F7 89.1(2) . . ?
F8 Sb1 F7 90.0(2) . . ?
F5 Sb1 F7 179.3(2) . . ?
C30 O1 Au1 120.6(4) . . ?
C2 C1 C6 117.7(6) . . ?
C2 C1 P1 117.6(5) . . ?
C6 C1 P1 124.7(5) . . ?
C1 P1 C22 105.9(3) . . ?
C1 P1 C26 107.7(3) . . ?
C22 P1 C26 113.9(3) . . ?
C1 P1 Au1 113.0(2) . . ?
C22 P1 Au1 108.8(2) . . ?
C26 P1 Au1 107.6(2) . . ?
O2 Au2 P2 171.28(13) . . ?
C30 O2 Au2 127.6(4) . . ?
C3 C2 C1 122.5(7) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
C37 P2 C62 108.4(3) . . ?
C37 P2 C58 106.8(3) . . ?
C62 P2 C58 111.6(3) . . ?
C37 P2 Au2 111.3(2) . . ?
C62 P2 Au2 106.4(2) . . ?
C58 P2 Au2 112.4(2) . . ?
C4 C3 C2 119.6(7) . . ?
C4 C3 H02W 120.2 . . ?
C2 C3 H02W 120.2 . . ?
C5 C6 C1 117.8(6) . . ?
C5 C6 C7 116.1(6) . . ?
C1 C6 C7 126.2(6) . . ?
C4 C5 C6 123.3(7) . . ?
C4 C5 H5 118.4 . . ?
C6 C5 H5 118.4 . . ?
C5 C4 C3 119.0(7) . . ?
C5 C4 H02S 120.5 . . ?
C3 C4 H02S 120.5 . . ?
C9 C8 C7 118.8(6) . . ?
C9 C8 C13 119.2(6) . . ?
C7 C8 C13 121.9(6) . . ?
C8 C7 C12 119.5(6) . . ?
C8 C7 C6 120.1(6) . . ?
C12 C7 C6 119.9(6) . . ?
C10 C9 C8 122.4(6) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C11 C10 C9 117.6(6) . . ?
C11 C10 C16 120.3(6) . . ?
C9 C10 C16 122.1(6) . . ?
C10 C11 C12 123.1(6) . . ?
C10 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
C11 C12 C7 118.4(6) . . ?
C11 C12 C19 120.0(6) . . ?
C7 C12 C19 121.5(6) . . ?
C8 C13 C15 113.2(6) . . ?
C8 C13 C14 111.1(6) . . ?
C15 C13 C14 109.5(6) . . ?
C8 C13 H13 107.6 . . ?
C15 C13 H13 107.6 . . ?
C14 C13 H13 107.6 . . ?
C13 C14 H038 109.5 . . ?
C13 C14 H039 109.5 . . ?
H038 C14 H039 109.5 . . ?
C13 C14 H03A 109.5 . . ?
H038 C14 H03A 109.5 . . ?
H039 C14 H03A 109.5 . . ?
C38 C39 C40 119.3(7) . . ?
C38 C39 H02L 120.4 . . ?
C40 C39 H02L 120.4 . . ?
C39 C38 C37 122.4(7) . . ?
C39 C38 H037 118.8 . . ?
C37 C38 H037 118.8 . . ?
C38 C37 C42 118.5(6) . . ?
C38 C37 P2 116.6(5) . . ?
C42 C37 P2 124.7(5) . . ?
C18 C16 C10 113.1(6) . . ?
C18 C16 C17 111.3(6) . . ?
C10 C16 C17 110.4(6) . . ?
C18 C16 H16 107.2 . . ?
C10 C16 H16 107.2 . . ?
C17 C16 H16 107.2 . . ?
C16 C17 H022 109.5 . . ?
C16 C17 H023 109.5 . . ?
H022 C17 H023 109.5 . . ?
C16 C17 H024 109.5 . . ?
H022 C17 H024 109.5 . . ?
H023 C17 H024 109.5 . . ?
C22 C24 H01G 109.5 . . ?
C22 C24 H01H 109.5 . . ?
H01G C24 H01H 109.5 . . ?
C22 C24 H01I 109.5 . . ?
H01G C24 H01I 109.5 . . ?
H01H C24 H01I 109.5 . . ?
C22 C23 H02Y 109.5 . . ?
C22 C23 H02Z 109.5 . . ?
H02Y C23 H02Z 109.5 . . ?
C22 C23 H030 109.5 . . ?
H02Y C23 H030 109.5 . . ?
H02Z C23 H030 109.5 . . ?
O2 C30 O1 123.8(6) . . ?
O2 C30 C31 120.4(6) . . ?
O1 C30 C31 115.8(6) . . ?
C23 C22 C24 109.2(7) . . ?
C23 C22 C25 107.3(7) . . ?
C24 C22 C25 106.0(7) . . ?
C23 C22 P1 118.0(5) . . ?
C24 C22 P1 106.6(5) . . ?
C25 C22 P1 109.2(5) . . ?
C16 C18 H031 109.5 . . ?
C16 C18 H032 109.5 . . ?
H031 C18 H032 109.5 . . ?
C16 C18 H033 109.5 . . ?
H031 C18 H033 109.5 . . ?
H032 C18 H033 109.5 . . ?
C34 C33 C32 119.2(7) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
F1 C32 C31 117.5(6) . . ?
F1 C32 C33 119.9(6) . . ?
C31 C32 C33 122.6(7) . . ?
C32 C31 C36 115.8(6) . . ?
C32 C31 C30 122.8(6) . . ?
C36 C31 C30 121.4(6) . . ?
C12 C19 C21 113.9(5) . . ?
C12 C19 C20 109.1(5) . . ?
C21 C19 C20 110.5(5) . . ?
C12 C19 H19 107.7 . . ?
C21 C19 H19 107.7 . . ?
C20 C19 H19 107.7 . . ?
C19 C20 H01Q 109.5 . . ?
C19 C20 H01R 109.5 . . ?
H01Q C20 H01R 109.5 . . ?
C19 C20 H01S 109.5 . . ?
H01Q C20 H01S 109.5 . . ?
H01R C20 H01S 109.5 . . ?
C22 C25 H01M 109.5 . . ?
C22 C25 H01N 109.5 . . ?
H01M C25 H01N 109.5 . . ?
C22 C25 H01O 109.5 . . ?
H01M C25 H01O 109.5 . . ?
H01N C25 H01O 109.5 . . ?
C26 C28 H02E 109.5 . . ?
C26 C28 H02F 109.5 . . ?
H02E C28 H02F 109.5 . . ?
C26 C28 H02G 109.5 . . ?
H02E C28 H02G 109.5 . . ?
H02F C28 H02G 109.5 . . ?
C26 C27 H014 109.5 . . ?
C26 C27 H016 109.5 . . ?
H014 C27 H016 109.5 . . ?
C26 C27 H019 109.5 . . ?
H014 C27 H019 109.5 . . ?
H016 C27 H019 109.5 . . ?
C27 C26 C29 108.5(6) . . ?
C27 C26 C28 108.9(6) . . ?
C29 C26 C28 108.0(6) . . ?
C27 C26 P1 116.6(5) . . ?
C29 C26 P1 108.9(5) . . ?
C28 C26 P1 105.7(4) . . ?
C26 C29 H01W 109.5 . . ?
C26 C29 H01X 109.5 . . ?
H01W C29 H01X 109.5 . . ?
C26 C29 H01Y 109.5 . . ?
H01W C29 H01Y 109.5 . . ?
H01X C29 H01Y 109.5 . . ?
C13 C15 H02P 109.5 . . ?
C13 C15 H02Q 109.5 . . ?
H02P C15 H02Q 109.5 . . ?
C13 C15 H02R 109.5 . . ?
H02P C15 H02R 109.5 . . ?
H02Q C15 H02R 109.5 . . ?
C33 C34 C35 121.0(7) . . ?
C33 C34 H02D 119.5 . . ?
C35 C34 H02D 119.5 . . ?
C41 C40 C39 119.6(7) . . ?
C41 C40 H02K 120.2 . . ?
C39 C40 H02K 120.2 . . ?
C40 C41 C42 122.8(7) . . ?
C40 C41 H01Z 118.6 . . ?
C42 C41 H01Z 118.6 . . ?
C41 C42 C37 117.4(6) . . ?
C41 C42 C43 114.6(6) . . ?
C37 C42 C43 128.0(6) . . ?
C44 C43 C48 118.9(6) . . ?
C44 C43 C42 120.7(6) . . ?
C48 C43 C42 119.4(6) . . ?
C45 C44 C43 119.9(6) . . ?
C45 C44 C49 117.7(6) . . ?
C43 C44 C49 122.2(6) . . ?
C44 C45 C46 122.3(7) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C47 C46 C45 117.1(6) . . ?
C47 C46 C52 123.5(6) . . ?
C45 C46 C52 119.3(6) . . ?
C46 C47 C48 122.6(6) . . ?
C46 C47 H47 118.7 . . ?
C48 C47 H47 118.7 . . ?
C47 C48 C43 119.2(6) . . ?
C47 C48 C55 119.3(6) . . ?
C43 C48 C55 121.5(6) . . ?
C50 C49 C51 111.6(7) . . ?
C50 C49 C44 111.9(6) . . ?
C51 C49 C44 110.6(6) . . ?
C50 C49 H021 107.5 . . ?
C51 C49 H021 107.5 . . ?
C44 C49 H021 107.5 . . ?
C19 C21 H01A 109.5 . . ?
C19 C21 H01B 109.5 . . ?
H01A C21 H01B 109.5 . . ?
C19 C21 H01C 109.5 . . ?
H01A C21 H01C 109.5 . . ?
H01B C21 H01C 109.5 . . ?
C54 C52 C53 111.9(6) . . ?
C54 C52 C46 112.4(6) . . ?
C53 C52 C46 111.5(6) . . ?
C54 C52 H01P 106.9 . . ?
C53 C52 H01P 106.9 . . ?
C46 C52 H01P 106.9 . . ?
C52 C53 H01J 109.5 . . ?
C52 C53 H01K 109.5 . . ?
H01J C53 H01K 109.5 . . ?
C52 C53 H01L 109.5 . . ?
H01J C53 H01L 109.5 . . ?
H01K C53 H01L 109.5 . . ?
C52 C54 H034 109.5 . . ?
C52 C54 H035 109.5 . . ?
H034 C54 H035 109.5 . . ?
C52 C54 H036 109.5 . . ?
H034 C54 H036 109.5 . . ?
H035 C54 H036 109.5 . . ?
F2 C36 C35 118.2(6) . . ?
F2 C36 C31 118.4(6) . . ?
C35 C36 C31 123.4(6) . . ?
C36 C35 C34 117.9(7) . . ?
C36 C35 H02C 121.0 . . ?
C34 C35 H02C 121.0 . . ?
C48 C55 C56 112.6(7) . . ?
C48 C55 C57 110.3(6) . . ?
C56 C55 C57 110.4(7) . . ?
C48 C55 H020 107.8 . . ?
C56 C55 H020 107.8 . . ?
C57 C55 H020 107.8 . . ?
C55 C56 H02T 109.5 . . ?
C55 C56 H02U 109.5 . . ?
H02T C56 H02U 109.5 . . ?
C55 C56 H02V 109.5 . . ?
H02T C56 H02V 109.5 . . ?
H02U C56 H02V 109.5 . . ?
C55 C57 H03E 109.5 . . ?
C55 C57 H03F 109.5 . . ?
H03E C57 H03F 109.5 . . ?
C55 C57 H03G 109.5 . . ?
H03E C57 H03G 109.5 . . ?
H03F C57 H03G 109.5 . . ?
C60 C58 C59 107.7(6) . . ?
C60 C58 C61 106.8(6) . . ?
C59 C58 C61 108.5(6) . . ?
C60 C58 P2 108.3(5) . . ?
C59 C58 P2 115.9(5) . . ?
C61 C58 P2 109.2(5) . . ?
C58 C59 H02H 109.5 . . ?
C58 C59 H02I 109.5 . . ?
H02H C59 H02I 109.5 . . ?
C58 C59 H02J 109.5 . . ?
H02H C59 H02J 109.5 . . ?
H02I C59 H02J 109.5 . . ?
C58 C60 H026 109.5 . . ?
C58 C60 H027 109.5 . . ?
H026 C60 H027 109.5 . . ?
C58 C60 H028 109.5 . . ?
H026 C60 H028 109.5 . . ?
H027 C60 H028 109.5 . . ?
C58 C61 H01D 109.5 . . ?
C58 C61 H01E 109.5 . . ?
H01D C61 H01E 109.5 . . ?
C58 C61 H01F 109.5 . . ?
H01D C61 H01F 109.5 . . ?
H01E C61 H01F 109.5 . . ?
C63 C62 C65 107.2(6) . . ?
C63 C62 C64 109.0(6) . . ?
C65 C62 C64 107.4(6) . . ?
C63 C62 P2 116.8(5) . . ?
C65 C62 P2 107.7(5) . . ?
C64 C62 P2 108.3(5) . . ?
C62 C63 H03H 109.5 . . ?
C62 C63 H03I 109.5 . . ?
H03H C63 H03I 109.5 . . ?
C62 C63 H03J 109.5 . . ?
H03H C63 H03J 109.5 . . ?
H03I C63 H03J 109.5 . . ?
C62 C65 H010 109.5 . . ?
C62 C65 H012 109.5 . . ?
H010 C65 H012 109.5 . . ?
C62 C65 H013 109.5 . . ?
H010 C65 H013 109.5 . . ?
H012 C65 H013 109.5 . . ?
C71 C66 C67 123.1(9) . . ?
C71 C66 H03D 118.5 . . ?
C67 C66 H03D 118.5 . . ?
C66 C67 C68 117.4(9) . . ?
C66 C67 H025 121.3 . . ?
C68 C67 H025 121.3 . . ?
C69 C68 C67 120.7(9) . . ?
C69 C68 H03C 119.7 . . ?
C67 C68 H03C 119.7 . . ?
C68 C69 C70 118.9(9) . . ?
C68 C69 H03B 120.6 . . ?
C70 C69 H03B 120.6 . . ?
C71 C70 C69 122.1(9) . . ?
C71 C70 H02X 118.9 . . ?
C69 C70 H02X 118.9 . . ?
C66 C71 C70 117.8(9) . . ?
C66 C71 H03K 121.1 . . ?
C70 C71 H03K 121.1 . . ?
C62 C64 H01T 109.5 . . ?
C62 C64 H01U 109.5 . . ?
H01T C64 H01U 109.5 . . ?
C62 C64 H01V 109.5 . . ?
H01T C64 H01V 109.5 . . ?
H01U C64 H01V 109.5 . . ?
C49 C51 H02M 109.5 . . ?
C49 C51 H02N 109.5 . . ?
H02M C51 H02N 109.5 . . ?
C49 C51 H02O 109.5 . . ?
H02M C51 H02O 109.5 . . ?
H02N C51 H02O 109.5 . . ?
C49 C50 H029 109.5 . . ?
C49 C50 H02A 109.5 . . ?
H029 C50 H02A 109.5 . . ?
C49 C50 H02B 109.5 . . ?
H029 C50 H02B 109.5 . . ?
H02A C50 H02B 109.5 . . ?
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 O1 2.095(4) . ?
Au1 P1 2.2318(17) . ?
Sb1 F4 1.856(5) . ?
Sb1 F6 1.858(5) . ?
Sb1 F3 1.867(5) . ?
Sb1 F8 1.871(5) . ?
Sb1 F5 1.871(5) . ?
Sb1 F7 1.873(4) . ?
F1 C32 1.352(8) . ?
O1 C30 1.253(7) . ?
C1 C2 1.405(9) . ?
C1 C6 1.421(9) . ?
C1 P1 1.831(7) . ?
P1 C22 1.885(7) . ?
P1 C26 1.886(7) . ?
Au2 O2 2.095(4) . ?
Au2 P2 2.2291(18) . ?
O2 C30 1.249(8) . ?
F2 C36 1.346(8) . ?
C2 C3 1.378(10) . ?
C2 H2 0.9500 . ?
P2 C37 1.832(7) . ?
P2 C62 1.884(7) . ?
P2 C58 1.888(7) . ?
C3 C4 1.378(11) . ?
C3 H02W 0.9500 . ?
C6 C5 1.396(9) . ?
C6 C7 1.509(9) . ?
C5 C4 1.375(10) . ?
C5 H5 0.9500 . ?
C4 H02S 0.9500 . ?
C8 C9 1.404(10) . ?
C8 C7 1.406(9) . ?
C8 C13 1.509(9) . ?
C7 C12 1.424(9) . ?
C9 C10 1.386(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(9) . ?
C10 C16 1.524(9) . ?
C11 C12 1.392(9) . ?
C11 H11 0.9500 . ?
C12 C19 1.517(9) . ?
C13 C15 1.528(10) . ?
C13 C14 1.540(11) . ?
C13 H13 1.0000 . ?
C14 H038 0.9800 . ?
C14 H039 0.9800 . ?
C14 H03A 0.9800 . ?
C39 C38 1.359(10) . ?
C39 C40 1.390(11) . ?
C39 H02L 0.9500 . ?
C38 C37 1.406(9) . ?
C38 H037 0.9500 . ?
C37 C42 1.413(9) . ?
C16 C18 1.507(9) . ?
C16 C17 1.528(9) . ?
C16 H16 1.0000 . ?
C17 H022 0.9800 . ?
C17 H023 0.9800 . ?
C17 H024 0.9800 . ?
C24 C22 1.530(10) . ?
C24 H01G 0.9800 . ?
C24 H01H 0.9800 . ?
C24 H01I 0.9800 . ?
C23 C22 1.516(10) . ?
C23 H02Y 0.9800 . ?
C23 H02Z 0.9800 . ?
C23 H030 0.9800 . ?
C30 C31 1.501(9) . ?
C22 C25 1.533(10) . ?
C18 H031 0.9800 . ?
C18 H032 0.9800 . ?
C18 H033 0.9800 . ?
C33 C34 1.353(11) . ?
C33 C32 1.389(9) . ?
C33 H33 0.9500 . ?
C32 C31 1.373(9) . ?
C31 C36 1.385(9) . ?
C19 C21 1.525(9) . ?
C19 C20 1.535(9) . ?
C19 H19 1.0000 . ?
C20 H01Q 0.9800 . ?
C20 H01R 0.9800 . ?
C20 H01S 0.9800 . ?
C25 H01M 0.9800 . ?
C25 H01N 0.9800 . ?
C25 H01O 0.9800 . ?
C28 C26 1.530(10) . ?
C28 H02E 0.9800 . ?
C28 H02F 0.9800 . ?
C28 H02G 0.9800 . ?
C27 C26 1.521(9) . ?
C27 H014 0.9800 . ?
C27 H016 0.9800 . ?
C27 H019 0.9800 . ?
C26 C29 1.525(9) . ?
C29 H01W 0.9800 . ?
C29 H01X 0.9800 . ?
C29 H01Y 0.9800 . ?
C15 H02P 0.9800 . ?
C15 H02Q 0.9800 . ?
C15 H02R 0.9800 . ?
C34 C35 1.381(10) . ?
C34 H02D 0.9500 . ?
C40 C41 1.365(10) . ?
C40 H02K 0.9500 . ?
C41 C42 1.402(9) . ?
C41 H01Z 0.9500 . ?
C42 C43 1.506(9) . ?
C43 C44 1.398(9) . ?
C43 C48 1.415(9) . ?
C44 C45 1.383(9) . ?
C44 C49 1.530(9) . ?
C45 C46 1.401(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(10) . ?
C46 C52 1.527(9) . ?
C47 C48 1.392(10) . ?
C47 H47 0.9500 . ?
C48 C55 1.519(10) . ?
C49 C50 1.520(10) . ?
C49 C51 1.524(11) . ?
C49 H021 1.0000 . ?
C21 H01A 0.9800 . ?
C21 H01B 0.9800 . ?
C21 H01C 0.9800 . ?
C52 C54 1.511(10) . ?
C52 C53 1.514(10) . ?
C52 H01P 1.0000 . ?
C53 H01J 0.9800 . ?
C53 H01K 0.9800 . ?
C53 H01L 0.9800 . ?
C54 H034 0.9800 . ?
C54 H035 0.9800 . ?
C54 H036 0.9800 . ?
C36 C35 1.379(9) . ?
C35 H02C 0.9500 . ?
C55 C56 1.530(11) . ?
C55 C57 1.539(11) . ?
C55 H020 1.0000 . ?
C56 H02T 0.9800 . ?
C56 H02U 0.9800 . ?
C56 H02V 0.9800 . ?
C57 H03E 0.9800 . ?
C57 H03F 0.9800 . ?
C57 H03G 0.9800 . ?
C58 C60 1.527(10) . ?
C58 C59 1.532(10) . ?
C58 C61 1.537(10) . ?
C59 H02H 0.9800 . ?
C59 H02I 0.9800 . ?
C59 H02J 0.9800 . ?
C60 H026 0.9800 . ?
C60 H027 0.9800 . ?
C60 H028 0.9800 . ?
C61 H01D 0.9800 . ?
C61 H01E 0.9800 . ?
C61 H01F 0.9800 . ?
C62 C63 1.522(10) . ?
C62 C65 1.527(10) . ?
C62 C64 1.546(10) . ?
C63 H03H 0.9800 . ?
C63 H03I 0.9800 . ?
C63 H03J 0.9800 . ?
C65 H010 0.9800 . ?
C65 H012 0.9800 . ?
C65 H013 0.9800 . ?
C66 C71 1.356(13) . ?
C66 C67 1.375(12) . ?
C66 H03D 0.9500 . ?
C67 C68 1.396(12) . ?
C67 H025 0.9500 . ?
C68 C69 1.370(12) . ?
C68 H03C 0.9500 . ?
C69 C70 1.372(12) . ?
C69 H03B 0.9500 . ?
C70 C71 1.367(12) . ?
C70 H02X 0.9500 . ?
C71 H03K 0.9500 . ?
C64 H01T 0.9800 . ?
C64 H01U 0.9800 . ?
C64 H01V 0.9800 . ?
C51 H02M 0.9800 . ?
C51 H02N 0.9800 . ?
C51 H02O 0.9800 . ?
C50 H029 0.9800 . ?
C50 H02A 0.9800 . ?
C50 H02B 0.9800 . ?
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
C2 C1 P1 C22 -56.1(6) . . . . ?
C6 C1 P1 C22 120.6(6) . . . . ?
C2 C1 P1 C26 66.1(6) . . . . ?
C6 C1 P1 C26 -117.1(6) . . . . ?
C2 C1 P1 Au1 -175.1(5) . . . . ?
C6 C1 P1 Au1 1.7(6) . . . . ?
C6 C1 C2 C3 -3.3(10) . . . . ?
P1 C1 C2 C3 173.7(6) . . . . ?
C1 C2 C3 C4 -0.6(11) . . . . ?
C2 C1 C6 C5 4.3(9) . . . . ?
P1 C1 C6 C5 -172.4(5) . . . . ?
C2 C1 C6 C7 -175.2(6) . . . . ?
P1 C1 C6 C7 8.1(10) . . . . ?
C1 C6 C5 C4 -1.6(10) . . . . ?
C7 C6 C5 C4 177.9(7) . . . . ?
C6 C5 C4 C3 -2.4(12) . . . . ?
C2 C3 C4 C5 3.5(12) . . . . ?
C9 C8 C7 C12 4.8(10) . . . . ?
C13 C8 C7 C12 -172.1(6) . . . . ?
C9 C8 C7 C6 176.6(6) . . . . ?
C13 C8 C7 C6 -0.3(10) . . . . ?
C5 C6 C7 C8 -85.0(8) . . . . ?
C1 C6 C7 C8 94.5(8) . . . . ?
C5 C6 C7 C12 86.8(8) . . . . ?
C1 C6 C7 C12 -93.8(8) . . . . ?
C7 C8 C9 C10 -1.7(10) . . . . ?
C13 C8 C9 C10 175.3(6) . . . . ?
C8 C9 C10 C11 -1.3(10) . . . . ?
C8 C9 C10 C16 -179.0(6) . . . . ?
C9 C10 C11 C12 1.1(10) . . . . ?
C16 C10 C11 C12 178.8(6) . . . . ?
C10 C11 C12 C7 2.0(10) . . . . ?
C10 C11 C12 C19 -174.6(6) . . . . ?
C8 C7 C12 C11 -5.0(9) . . . . ?
C6 C7 C12 C11 -176.8(6) . . . . ?
C8 C7 C12 C19 171.6(6) . . . . ?
C6 C7 C12 C19 -0.2(9) . . . . ?
C9 C8 C13 C15 40.7(9) . . . . ?
C7 C8 C13 C15 -142.4(7) . . . . ?
C9 C8 C13 C14 -83.0(8) . . . . ?
C7 C8 C13 C14 93.9(8) . . . . ?
C40 C39 C38 C37 1.6(12) . . . . ?
C39 C38 C37 C42 -1.2(11) . . . . ?
C39 C38 C37 P2 -175.9(6) . . . . ?
C62 P2 C37 C38 -63.2(6) . . . . ?
C58 P2 C37 C38 57.1(6) . . . . ?
Au2 P2 C37 C38 -179.9(5) . . . . ?
C62 P2 C37 C42 122.5(6) . . . . ?
C58 P2 C37 C42 -117.2(6) . . . . ?
Au2 P2 C37 C42 5.8(6) . . . . ?
C11 C10 C16 C18 135.1(7) . . . . ?
C9 C10 C16 C18 -47.3(10) . . . . ?
C11 C10 C16 C17 -99.4(8) . . . . ?
C9 C10 C16 C17 78.2(8) . . . . ?
Au2 O2 C30 O1 -167.6(4) . . . . ?
Au2 O2 C30 C31 12.5(8) . . . . ?
Au1 O1 C30 O2 2.8(8) . . . . ?
Au1 O1 C30 C31 -177.3(4) . . . . ?
C1 P1 C22 C23 65.3(6) . . . . ?
C26 P1 C22 C23 -52.9(7) . . . . ?
Au1 P1 C22 C23 -172.9(5) . . . . ?
C1 P1 C22 C24 -57.8(6) . . . . ?
C26 P1 C22 C24 -176.0(5) . . . . ?
Au1 P1 C22 C24 63.9(6) . . . . ?
C1 P1 C22 C25 -171.9(5) . . . . ?
C26 P1 C22 C25 69.9(6) . . . . ?
Au1 P1 C22 C25 -50.1(6) . . . . ?
C34 C33 C32 F1 -179.6(7) . . . . ?
C34 C33 C32 C31 0.9(11) . . . . ?
F1 C32 C31 C36 178.2(6) . . . . ?
C33 C32 C31 C36 -2.2(10) . . . . ?
F1 C32 C31 C30 0.4(10) . . . . ?
C33 C32 C31 C30 180.0(7) . . . . ?
O2 C30 C31 C32 -71.0(9) . . . . ?
O1 C30 C31 C32 109.2(7) . . . . ?
O2 C30 C31 C36 111.3(7) . . . . ?
O1 C30 C31 C36 -68.5(8) . . . . ?
C11 C12 C19 C21 -43.2(8) . . . . ?
C7 C12 C19 C21 140.3(6) . . . . ?
C11 C12 C19 C20 80.7(7) . . . . ?
C7 C12 C19 C20 -95.8(7) . . . . ?
C1 P1 C26 C27 -55.9(6) . . . . ?
C22 P1 C26 C27 61.3(7) . . . . ?
Au1 P1 C26 C27 -178.1(5) . . . . ?
C1 P1 C26 C29 -179.1(5) . . . . ?
C22 P1 C26 C29 -61.9(6) . . . . ?
Au1 P1 C26 C29 58.8(5) . . . . ?
C1 P1 C26 C28 65.1(6) . . . . ?
C22 P1 C26 C28 -177.7(5) . . . . ?
Au1 P1 C26 C28 -57.0(5) . . . . ?
C32 C33 C34 C35 1.3(12) . . . . ?
C38 C39 C40 C41 -0.4(12) . . . . ?
C39 C40 C41 C42 -1.2(12) . . . . ?
C40 C41 C42 C37 1.5(10) . . . . ?
C40 C41 C42 C43 -176.8(7) . . . . ?
C38 C37 C42 C41 -0.3(10) . . . . ?
P2 C37 C42 C41 173.9(5) . . . . ?
C38 C37 C42 C43 177.7(6) . . . . ?
P2 C37 C42 C43 -8.1(10) . . . . ?
C41 C42 C43 C44 -81.7(8) . . . . ?
C37 C42 C43 C44 100.2(8) . . . . ?
C41 C42 C43 C48 86.9(8) . . . . ?
C37 C42 C43 C48 -91.2(9) . . . . ?
C48 C43 C44 C45 -0.1(10) . . . . ?
C42 C43 C44 C45 168.5(6) . . . . ?
C48 C43 C44 C49 -176.0(6) . . . . ?
C42 C43 C44 C49 -7.4(10) . . . . ?
C43 C44 C45 C46 0.7(10) . . . . ?
C49 C44 C45 C46 176.8(6) . . . . ?
C44 C45 C46 C47 -0.2(10) . . . . ?
C44 C45 C46 C52 -179.6(6) . . . . ?
C45 C46 C47 C48 -1.0(10) . . . . ?
C52 C46 C47 C48 178.4(6) . . . . ?
C46 C47 C48 C43 1.6(11) . . . . ?
C46 C47 C48 C55 -176.9(7) . . . . ?
C44 C43 C48 C47 -1.0(10) . . . . ?
C42 C43 C48 C47 -169.8(6) . . . . ?
C44 C43 C48 C55 177.5(6) . . . . ?
C42 C43 C48 C55 8.7(10) . . . . ?
C45 C44 C49 C50 56.4(9) . . . . ?
C43 C44 C49 C50 -127.6(7) . . . . ?
C45 C44 C49 C51 -68.6(9) . . . . ?
C43 C44 C49 C51 107.4(8) . . . . ?
C47 C46 C52 C54 -35.3(10) . . . . ?
C45 C46 C52 C54 144.0(7) . . . . ?
C47 C46 C52 C53 91.2(8) . . . . ?
C45 C46 C52 C53 -89.5(8) . . . . ?
C32 C31 C36 F2 -179.3(6) . . . . ?
C30 C31 C36 F2 -1.4(10) . . . . ?
C32 C31 C36 C35 1.5(10) . . . . ?
C30 C31 C36 C35 179.3(7) . . . . ?
F2 C36 C35 C34 -178.7(6) . . . . ?
C31 C36 C35 C34 0.6(11) . . . . ?
C33 C34 C35 C36 -2.0(12) . . . . ?
C47 C48 C55 C56 -44.3(9) . . . . ?
C43 C48 C55 C56 137.2(7) . . . . ?
C47 C48 C55 C57 79.5(9) . . . . ?
C43 C48 C55 C57 -99.0(8) . . . . ?
C37 P2 C58 C60 40.4(6) . . . . ?
C62 P2 C58 C60 158.7(5) . . . . ?
Au2 P2 C58 C60 -81.9(5) . . . . ?
C37 P2 C58 C59 -80.8(6) . . . . ?
C62 P2 C58 C59 37.5(6) . . . . ?
Au2 P2 C58 C59 156.9(5) . . . . ?
C37 P2 C58 C61 156.3(5) . . . . ?
C62 P2 C58 C61 -85.4(5) . . . . ?
Au2 P2 C58 C61 34.0(5) . . . . ?
C37 P2 C62 C63 48.6(6) . . . . ?
C58 P2 C62 C63 -68.8(6) . . . . ?
Au2 P2 C62 C63 168.4(5) . . . . ?
C37 P2 C62 C65 -72.1(5) . . . . ?
C58 P2 C62 C65 170.6(5) . . . . ?
Au2 P2 C62 C65 47.7(5) . . . . ?
C37 P2 C62 C64 172.0(5) . . . . ?
C58 P2 C62 C64 54.7(5) . . . . ?
Au2 P2 C62 C64 -68.2(5) . . . . ?
C71 C66 C67 C68 0.4(15) . . . . ?
C66 C67 C68 C69 0.3(14) . . . . ?
C67 C68 C69 C70 0.3(13) . . . . ?
C68 C69 C70 C71 -1.7(14) . . . . ?
C67 C66 C71 C70 -1.6(16) . . . . ?
C69 C70 C71 C66 2.3(15) . . . . ?
