#------------------------------------------------------------------------------
#$Date: 2019-11-25 22:23:22 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/18/4131819.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_4131819
loop_
_publ_author_name
'Jin, Mingoo'
'Chung, Tim S.'
'Seki, Tomohiro'
'Ito, Hajime'
'Garcia-Garibay, Miguel A'
_publ_section_title
;
 Phosphorescence Control Mediated by Molecular Rotation and Aurophilic
 Interactions in Amphidynamic Crystals of
 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.
;
_journal_issue                   49
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18115
_journal_page_last               18121
_journal_paper_doi               10.1021/jacs.7b11316
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C50 H36 Au2 F6 P2'
_chemical_formula_sum            'C50 H36 Au2 F6 P2'
_chemical_formula_weight         1206.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.170(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   31.370(8)
_cell_length_b                   14.641(3)
_cell_length_c                   19.272(4)
_cell_measurement_reflns_used    4020
_cell_measurement_temperature    233
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.04
_cell_volume                     8782(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      233
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0866
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40716
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.436
_diffrn_reflns_theta_min         2.980
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.831
_exptl_absorpt_correction_T_max  0.633
_exptl_absorpt_correction_T_min  0.060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4624.00
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.192
_exptl_crystal_size_min          0.067
_refine_diff_density_max         2.14
_refine_diff_density_min         -1.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9941
_refine_ls_number_restraints     350
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0845P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1809
_reflns_number_gt                5331
_reflns_number_total             9941
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja7b11316_si_002.cif
_cod_data_source_block           2-233K
_cod_database_code               4131819
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 1/2+X,1/2+Y,+Z
4 1/2-X,1/2+Y,1/2-Z
5 -X,-Y,-Z
6 +X,-Y,1/2+Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
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
Au1 Au 0.44486(2) 0.28125(3) 0.23767(2) 0.06266(16) Uani 1 1 d . .
Au2 Au 0.21165(2) 0.13338(3) 0.08480(2) 0.07359(18) Uani 1 1 d . .
P3 P 0.41979(9) 0.21653(18) 0.33221(13) 0.0587(7) Uani 1 1 d . .
P4 P 0.19801(11) 0.27899(19) 0.11634(14) 0.0699(8) Uani 1 1 d . .
F41 F 0.4054(3) 0.4538(7) 0.5769(5) 0.162(5) Uani 1 1 d . .
F42 F 0.2374(2) 0.1079(7) 0.2603(4) 0.122(3) Uani 1 1 d . .
F43 F 0.5078(4) -0.1293(6) 0.4216(6) 0.153(4) Uani 1 1 d . .
F44 F 0.0625(3) 0.2965(8) 0.3036(5) 0.154(4) Uani 1 1 d . .
F45 F 0.1137(3) 0.5002(7) -0.1175(4) 0.127(3) Uani 1 1 d . .
F46 F 0.3588(3) 0.4651(6) 0.2348(4) 0.116(3) Uani 1 1 d . .
C5 C 0.41893(8) 0.2899(2) 0.40746(15) 0.0859(19) Uani 1 1 d G U
C6 C 0.39868(9) 0.37426(19) 0.39814(16) 0.0913(19) Uani 1 1 d G U
H6 H 0.3880 0.3942 0.3529 0.110 Uiso 1 1 calc R U
C7 C 0.39417(10) 0.4291(2) 0.45566(17) 0.096(2) Uani 1 1 d G U
H7 H 0.3805 0.4861 0.4494 0.115 Uiso 1 1 calc R U
C8 C 0.40990(11) 0.3995(3) 0.52250(17) 0.095(2) Uani 1 1 d G U
C9 C 0.43015(10) 0.3152(3) 0.53185(15) 0.093(2) Uani 1 1 d G U
H9 H 0.4408 0.2952 0.5771 0.112 Uiso 1 1 calc R U
C10 C 0.43464(9) 0.2604(2) 0.47432(15) 0.0890(19) Uani 1 1 d G U
H10 H 0.4483 0.2033 0.4806 0.107 Uiso 1 1 calc R U
C11 C 0.36383(8) 0.18061(16) 0.31254(12) 0.0716(16) Uani 1 1 d G U
C12 C 0.33514(8) 0.18804(17) 0.36168(11) 0.0733(16) Uani 1 1 d G U
H12 H 0.3446 0.2097 0.4069 0.088 Uiso 1 1 calc R U
C13 C 0.29236(8) 0.16338(18) 0.34399(12) 0.0771(17) Uani 1 1 d G U
H13 H 0.2730 0.1684 0.3772 0.092 Uiso 1 1 calc R U
C14 C 0.27831(8) 0.13128(16) 0.27716(13) 0.0791(17) Uani 1 1 d G U
C15 C 0.30701(9) 0.12385(15) 0.22803(13) 0.0799(17) Uani 1 1 d G U
H15 H 0.2975 0.1021 0.1828 0.096 Uiso 1 1 calc R U
C16 C 0.34977(8) 0.14851(17) 0.24572(13) 0.0763(17) Uani 1 1 d G U
H16 H 0.3692 0.1435 0.2125 0.092 Uiso 1 1 calc R U
C17 C 0.44656(8) 0.1112(2) 0.36410(16) 0.0844(19) Uani 1 1 d G U
C18 C 0.48705(9) 0.0944(3) 0.34470(18) 0.0890(19) Uani 1 1 d G U
H18 H 0.5002 0.1381 0.3187 0.107 Uiso 1 1 calc R U
C19 C 0.50805(10) 0.0129(3) 0.3638(2) 0.0940(19) Uani 1 1 d G U
H19 H 0.5354 0.0015 0.3506 0.113 Uiso 1 1 calc R U
C20 C 0.48858(11) -0.0517(3) 0.4022(2) 0.0939(19) Uani 1 1 d G U
C21 C 0.44810(11) -0.0349(2) 0.4216(2) 0.0912(19) Uani 1 1 d G U
H21 H 0.4349 -0.0786 0.4477 0.109 Uiso 1 1 calc R U
C22 C 0.42708(10) 0.0466(2) 0.40258(17) 0.0871(19) Uani 1 1 d G U
H22 H 0.3997 0.0580 0.4157 0.105 Uiso 1 1 calc R U
C23 C 0.17474(9) 0.3480(2) 0.04345(12) 0.0728(17) Uani 1 1 d G U
C24 C 0.18358(9) 0.4407(2) 0.03897(14) 0.0752(17) Uani 1 1 d G U
H24 H 0.2038 0.4683 0.0727 0.090 Uiso 1 1 calc R U
C25 C 0.16258(11) 0.4925(3) -0.01533(16) 0.0785(18) Uani 1 1 d G U
H25 H 0.1686 0.5552 -0.0184 0.094 Uiso 1 1 calc R U
C26 C 0.13275(11) 0.4516(3) -0.06514(15) 0.0799(18) Uani 1 1 d G U
C27 C 0.12390(11) 0.3589(3) -0.06066(14) 0.0801(18) Uani 1 1 d G U
H27 H 0.1037 0.3312 -0.0943 0.096 Uiso 1 1 calc R U
C28 C 0.14490(10) 0.3071(3) -0.00637(13) 0.0774(17) Uani 1 1 d G U
H28 H 0.1389 0.2444 -0.0033 0.093 Uiso 1 1 calc R U
C29 C 0.24602(8) 0.33563(17) 0.15483(11) 0.0844(18) Uani 1 1 d G U
C30 C 0.25111(8) 0.36886(16) 0.22294(12) 0.0867(18) Uani 1 1 d G U
H30 H 0.2289 0.3619 0.2511 0.104 Uiso 1 1 calc R U
C31 C 0.28904(8) 0.41242(15) 0.24947(13) 0.0901(19) Uani 1 1 d G U
H31 H 0.2925 0.4349 0.2955 0.108 Uiso 1 1 calc R U
C32 C 0.32189(8) 0.42275(16) 0.20790(15) 0.0898(19) Uani 1 1 d G U
C33 C 0.31679(8) 0.3895(2) 0.13980(14) 0.0897(18) Uani 1 1 d G U
H33 H 0.3390 0.3965 0.1117 0.108 Uiso 1 1 calc R U
C34 C 0.27886(8) 0.34596(19) 0.11327(11) 0.0873(18) Uani 1 1 d G U
H34 H 0.2754 0.3235 0.0672 0.105 Uiso 1 1 calc R U
C35 C 0.15900(7) 0.2862(2) 0.17777(13) 0.0826(18) Uani 1 1 d G U
C36 C 0.14180(8) 0.3700(2) 0.19368(14) 0.0864(18) Uani 1 1 d G U
H36 H 0.1520 0.4240 0.1752 0.104 Uiso 1 1 calc R U
C37 C 0.10951(8) 0.3738(3) 0.23687(15) 0.0900(19) Uani 1 1 d G U
H37 H 0.0979 0.4305 0.2476 0.108 Uiso 1 1 calc R U
C38 C 0.09442(7) 0.2939(3) 0.26412(17) 0.0914(19) Uani 1 1 d G U
C39 C 0.11164(7) 0.2101(3) 0.24821(17) 0.0882(19) Uani 1 1 d G U
H39 H 0.1015 0.1560 0.2667 0.106 Uiso 1 1 calc R U
C40 C 0.14393(8) 0.2062(2) 0.20503(15) 0.0844(18) Uani 1 1 d G U
H40 H 0.1556 0.1496 0.1943 0.101 Uiso 1 1 calc R U
C47 C 0.4621(4) 0.3413(7) 0.1521(5) 0.068(2) Uani 1 1 d . U
C48 C 0.4738(4) 0.3835(7) 0.1038(5) 0.0664(17) Uani 1 1 d . U
C49 C 0.4875(4) 0.4416(7) 0.0509(5) 0.0648(16) Uani 1 1 d . U
C50 C 0.5115(4) 0.5208(7) 0.0719(5) 0.0658(17) Uani 1 1 d . U
C51 C 0.5235(4) 0.5792(7) 0.0194(5) 0.066(2) Uani 1 1 d . U
C52 C 0.5220(5) 0.5422(9) 0.1478(6) 0.096(4) Uani 1 1 d . .
H52A H 0.5111 0.4939 0.1753 0.116 Uiso 1 1 calc R U
H52B H 0.5529 0.5467 0.1595 0.116 Uiso 1 1 calc R U
H52C H 0.5088 0.5997 0.1580 0.116 Uiso 1 1 calc R U
C53 C 0.5495(5) 0.6645(9) 0.0396(6) 0.095(4) Uani 1 1 d . .
H53A H 0.5545 0.6693 0.0902 0.114 Uiso 1 1 calc R U
H53B H 0.5768 0.6610 0.0211 0.114 Uiso 1 1 calc R U
H53C H 0.5338 0.7178 0.0205 0.114 Uiso 1 1 calc R U
C54 C 0.2242(4) 0.0078(7) 0.0590(5) 0.072(2) Uani 1 1 d . U
C55 C 0.2326(4) -0.0693(8) 0.0416(5) 0.0698(17) Uani 1 1 d . U
C56 C 0.2419(4) -0.1611(7) 0.0202(5) 0.0674(17) Uani 1 1 d . U
C57 C 0.2752(4) -0.2129(7) 0.0585(5) 0.0653(17) Uani 1 1 d . U
C58 C 0.2832(4) -0.3016(7) 0.0375(5) 0.0656(19) Uani 1 1 d . U
C59 C 0.3014(5) -0.1725(8) 0.1225(6) 0.088(4) Uani 1 1 d . .
H59A H 0.2918 -0.1107 0.1298 0.105 Uiso 1 1 calc R U
H59B H 0.2978 -0.2094 0.1632 0.105 Uiso 1 1 calc R U
H59C H 0.3315 -0.1715 0.1156 0.105 Uiso 1 1 calc R U
C60 C 0.3166(4) -0.3585(8) 0.0794(6) 0.085(4) Uani 1 1 d . .
H60A H 0.3311 -0.3222 0.1174 0.102 Uiso 1 1 calc R U
H60B H 0.3031 -0.4108 0.0984 0.102 Uiso 1 1 calc R U
H60C H 0.3374 -0.3794 0.0496 0.102 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(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
C47 Au1 P3 175.5(3) .
C54 Au2 P4 179.0(4) .
C5 P3 C17 106.50(18) .
C5 P3 C11 103.15(18) .
C17 P3 C11 102.52(19) .
C5 P3 Au1 115.82(16) .
C17 P3 Au1 115.48(16) .
C11 P3 Au1 111.87(14) .
C29 P4 C23 107.4(2) .
C29 P4 C35 107.67(18) .
C23 P4 C35 103.6(2) .
C29 P4 Au2 111.56(17) .
C23 P4 Au2 112.80(17) .
C35 P4 Au2 113.27(18) .
C10 C5 C6 120.0 .
C10 C5 P3 121.32(12) .
C6 C5 P3 118.46(12) .
C7 C6 C5 120.0 .
C7 C6 H6 120.0 .
C5 C6 H6 120.0 .
C8 C7 C6 120.0 .
C8 C7 H7 120.0 .
C6 C7 H7 120.0 .
F41 C8 C7 118.8(6) .
F41 C8 C9 121.2(6) .
C7 C8 C9 120.0 .
C10 C9 C8 120.0 .
C10 C9 H9 120.0 .
C8 C9 H9 120.0 .
C5 C10 C9 120.0 .
C5 C10 H10 120.0 .
C9 C10 H10 120.0 .
C12 C11 C16 120.0 .
C12 C11 P3 121.57(12) .
C16 C11 P3 118.37(12) .
C11 C12 C13 120.0 .
C11 C12 H12 120.0 .
C13 C12 H12 120.0 .
C14 C13 C12 120.0 .
C14 C13 H13 120.0 .
C12 C13 H13 120.0 .
F42 C14 C15 120.1(4) .
F42 C14 C13 119.9(4) .
C15 C14 C13 120.0 .
C16 C15 C14 120.0 .
C16 C15 H15 120.0 .
C14 C15 H15 120.0 .
C15 C16 C11 120.0 .
C15 C16 H16 120.0 .
C11 C16 H16 120.0 .
C22 C17 C18 120.0 .
C22 C17 P3 122.71(12) .
C18 C17 P3 117.17(11) .
C19 C18 C17 120.0 .
C19 C18 H18 120.0 .
C17 C18 H18 120.0 .
C20 C19 C18 120.0 .
C20 C19 H19 120.0 .
C18 C19 H19 120.0 .
F43 C20 C19 121.5(5) .
F43 C20 C21 118.6(5) .
C19 C20 C21 120.0 .
C20 C21 C22 120.0 .
C20 C21 H21 120.0 .
C22 C21 H21 120.0 .
C17 C22 C21 120.0 .
C17 C22 H22 120.0 .
C21 C22 H22 120.0 .
C28 C23 C24 120.0 .
C28 C23 P4 117.89(13) .
C24 C23 P4 121.95(13) .
C25 C24 C23 120.0 .
C25 C24 H24 120.0 .
C23 C24 H24 120.0 .
C26 C25 C24 120.0 .
C26 C25 H25 120.0 .
C24 C25 H25 120.0 .
F45 C26 C25 119.9(5) .
F45 C26 C27 120.0(5) .
C25 C26 C27 120.0 .
C28 C27 C26 120.0 .
C28 C27 H27 120.0 .
C26 C27 H27 120.0 .
C27 C28 C23 120.0 .
C27 C28 H28 120.0 .
C23 C28 H28 120.0 .
C34 C29 C30 120.0 .
C34 C29 P4 117.11(12) .
C30 C29 P4 122.90(12) .
C31 C30 C29 120.0 .
C31 C30 H30 120.0 .
C29 C30 H30 120.0 .
C30 C31 C32 120.0 .
C30 C31 H31 120.0 .
C32 C31 H31 120.0 .
F46 C32 C33 120.8(4) .
F46 C32 C31 119.2(4) .
C33 C32 C31 120.0 .
C32 C33 C34 120.0 .
C32 C33 H33 120.0 .
C34 C33 H33 120.0 .
C29 C34 C33 120.0 .
C29 C34 H34 120.0 .
C33 C34 H34 120.0 .
C40 C35 C36 120.0 .
C40 C35 P4 119.22(13) .
C36 C35 P4 120.58(13) .
C35 C36 C37 120.0 .
C35 C36 H36 120.0 .
C37 C36 H36 120.0 .
C38 C37 C36 120.0 .
C38 C37 H37 120.0 .
C36 C37 H37 120.0 .
F44 C38 C37 120.5(6) .
F44 C38 C39 119.5(6) .
C37 C38 C39 120.0 .
C40 C39 C38 120.0 .
C40 C39 H39 120.0 .
C38 C39 H39 120.0 .
C35 C40 C39 120.0 .
C35 C40 H40 120.0 .
C39 C40 H40 120.0 .
C48 C47 Au1 174.7(10) .
C47 C48 C49 174.2(12) .
C51 C49 C50 121.2(9) 5_665
C51 C49 C48 120.1(10) 5_665
C50 C49 C48 118.7(9) .
C51 C50 C49 118.1(9) .
C51 C50 C52 122.1(10) .
C49 C50 C52 119.7(9) .
C49 C51 C50 120.7(9) 5_665
C49 C51 C53 119.5(9) 5_665
C50 C51 C53 119.8(9) .
C50 C52 H52A 109.5 .
C50 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C50 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C51 C53 H53A 109.5 .
C51 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C51 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C55 C54 Au2 178.2(10) .
C54 C55 C56 179.1(13) .
C58 C56 C57 120.8(10) 7_545
C58 C56 C55 118.5(10) 7_545
C57 C56 C55 120.7(10) .
C58 C57 C56 119.7(10) .
C58 C57 C59 120.1(10) .
C56 C57 C59 120.3(10) .
C56 C58 C57 119.5(10) 7_545
C56 C58 C60 120.2(10) 7_545
C57 C58 C60 120.2(10) .
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 .
C58 C60 H60A 109.5 .
C58 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
C58 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C47 2.003(9) .
Au1 P3 2.279(2) .
Au2 C54 1.957(11) .
Au2 P4 2.272(3) .
P3 C5 1.808(4) .
P3 C17 1.825(4) .
P3 C11 1.826(4) .
P4 C29 1.796(4) .
P4 C23 1.808(4) .
P4 C35 1.809(4) .
F41 C8 1.336(8) .
F42 C14 1.328(8) .
F43 C20 1.317(8) .
F44 C38 1.331(8) .
F45 C26 1.316(7) .
F46 C32 1.358(8) .
C5 C10 1.3899 .
C5 C6 1.3902 .
C6 C7 1.3900 .
C6 H6 0.9400 .
C7 C8 1.3898 .
C7 H7 0.9400 .
C8 C9 1.3900 .
C9 C10 1.3900 .
C9 H9 0.9400 .
C10 H10 0.9400 .
C11 C12 1.3899 .
C11 C16 1.3900 .
C12 C13 1.3902 .
C12 H12 0.9400 .
C13 C14 1.3900 .
C13 H13 0.9400 .
C14 C15 1.3900 .
C15 C16 1.3899 .
C15 H15 0.9400 .
C16 H16 0.9400 .
C17 C22 1.3900 .
C17 C18 1.3902 .
C18 C19 1.3899 .
C18 H18 0.9400 .
C19 C20 1.3898 .
C19 H19 0.9400 .
C20 C21 1.3900 .
C21 C22 1.3902 .
C21 H21 0.9400 .
C22 H22 0.9400 .
C23 C28 1.3900 .
C23 C24 1.3902 .
C24 C25 1.3899 .
C24 H24 0.9400 .
C25 C26 1.3897 .
C25 H25 0.9400 .
C26 C27 1.3900 .
C27 C28 1.3899 .
C27 H27 0.9400 .
C28 H28 0.9400 .
C29 C34 1.3900 .
C29 C30 1.3902 .
C30 C31 1.3900 .
C30 H30 0.9400 .
C31 C32 1.3900 .
C31 H31 0.9400 .
C32 C33 1.3900 .
C33 C34 1.3901 .
C33 H33 0.9400 .
C34 H34 0.9400 .
C35 C40 1.3899 .
C35 C36 1.3899 .
C36 C37 1.3903 .
C36 H36 0.9400 .
C37 C38 1.3899 .
C37 H37 0.9400 .
C38 C39 1.3901 .
C39 C40 1.3899 .
C39 H39 0.9400 .
C40 H40 0.9400 .
C47 C48 1.210(13) .
C48 C49 1.436(13) .
C49 C51 1.389(14) 5_665
C49 C50 1.414(14) .
C50 C51 1.411(13) .
C50 C52 1.493(14) .
C51 C49 1.389(14) 5_665
C51 C53 1.515(15) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C52 H52C 0.9700 .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C53 H53C 0.9700 .
C54 C55 1.217(14) .
C55 C56 1.446(14) .
C56 C58 1.393(14) 7_545
C56 C57 1.419(15) .
C57 C58 1.394(14) .
C57 C59 1.516(15) .
C58 C56 1.393(14) 7_545
C58 C60 1.494(15) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C59 H59C 0.9700 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C60 H60C 0.9700 .
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_4
C17 P3 C5 C10 -3.3(2) . .
C11 P3 C5 C10 104.26(15) . .
Au1 P3 C5 C10 -133.20(10) . .
C17 P3 C5 C6 -177.64(9) . .
C11 P3 C5 C6 -70.10(18) . .
Au1 P3 C5 C6 52.44(18) . .
C10 C5 C6 C7 0.0 . .
P3 C5 C6 C7 174.48(13) . .
C5 C6 C7 C8 0.0 . .
C6 C7 C8 F41 179.6(5) . .
C6 C7 C8 C9 0.0 . .
F41 C8 C9 C10 -179.6(5) . .
C7 C8 C9 C10 0.0 . .
C6 C5 C10 C9 -0.1 . .
P3 C5 C10 C9 -174.35(14) . .
C8 C9 C10 C5 0.1 . .
C5 P3 C11 C12 -18.2(2) . .
C17 P3 C11 C12 92.28(17) . .
Au1 P3 C11 C12 -143.39(10) . .
C5 P3 C11 C16 159.28(9) . .
C17 P3 C11 C16 -90.19(15) . .
Au1 P3 C11 C16 34.13(17) . .
C16 C11 C12 C13 0.0 . .
P3 C11 C12 C13 177.47(14) . .
C11 C12 C13 C14 0.0 . .
C12 C13 C14 F42 -179.8(5) . .
C12 C13 C14 C15 0.0 . .
F42 C14 C15 C16 179.8(5) . .
C13 C14 C15 C16 0.0 . .
C14 C15 C16 C11 0.0 . .
C12 C11 C16 C15 0.0 . .
P3 C11 C16 C15 -177.56(14) . .
C5 P3 C17 C22 73.6(2) . .
C11 P3 C17 C22 -34.4(2) . .
Au1 P3 C17 C22 -156.33(10) . .
C5 P3 C17 C18 -110.38(15) . .
C11 P3 C17 C18 141.64(10) . .
Au1 P3 C17 C18 19.74(18) . .
C22 C17 C18 C19 0.0 . .
P3 C17 C18 C19 -176.15(14) . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 F43 -179.4(6) . .
C18 C19 C20 C21 0.0 . .
F43 C20 C21 C22 179.4(6) . .
C19 C20 C21 C22 0.0 . .
C18 C17 C22 C21 0.0 . .
P3 C17 C22 C21 175.94(15) . .
C20 C21 C22 C17 0.0 . .
C29 P4 C23 C28 161.91(10) . .
C35 P4 C23 C28 -84.31(17) . .
Au2 P4 C23 C28 38.6(2) . .
C29 P4 C23 C24 -22.7(2) . .
C35 P4 C23 C24 91.10(19) . .
Au2 P4 C23 C24 -146.03(11) . .
C28 C23 C24 C25 0.0 . .
P4 C23 C24 C25 -175.32(15) . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 F45 -178.3(5) . .
C24 C25 C26 C27 0.0 . .
F45 C26 C27 C28 178.3(5) . .
C25 C26 C27 C28 0.0 . .
C26 C27 C28 C23 0.0 . .
C24 C23 C28 C27 0.0 . .
P4 C23 C28 C27 175.49(14) . .
C23 P4 C29 C34 -62.8(2) . .
C35 P4 C29 C34 -173.82(11) . .
Au2 P4 C29 C34 61.31(16) . .
C23 P4 C29 C30 116.94(14) . .
C35 P4 C29 C30 5.9(3) . .
Au2 P4 C29 C30 -118.95(12) . .
C34 C29 C30 C31 0.0 . .
P4 C29 C30 C31 -179.72(15) . .
C29 C30 C31 C32 0.0 . .
C30 C31 C32 F46 -179.7(4) . .
C30 C31 C32 C33 0.0 . .
F46 C32 C33 C34 179.7(4) . .
C31 C32 C33 C34 0.0 . .
C30 C29 C34 C33 0.0 . .
P4 C29 C34 C33 179.73(14) . .
C32 C33 C34 C29 0.0 . .
C29 P4 C35 C40 -118.11(15) . .
C23 P4 C35 C40 128.29(13) . .
Au2 P4 C35 C40 5.7(2) . .
C29 P4 C35 C36 66.7(2) . .
C23 P4 C35 C36 -46.9(2) . .
Au2 P4 C35 C36 -169.46(8) . .
C40 C35 C36 C37 0.0 . .
P4 C35 C36 C37 175.16(14) . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 F44 -177.8(6) . .
C36 C37 C38 C39 0.0 . .
F44 C38 C39 C40 177.8(6) . .
C37 C38 C39 C40 0.0 . .
C36 C35 C40 C39 0.0 . .
P4 C35 C40 C39 -175.23(14) . .
C38 C39 C40 C35 0.0 . .
C51 C49 C50 C51 1.0(18) 5_665 .
C48 C49 C50 C51 -177.7(10) . .
C51 C49 C50 C52 178.7(11) 5_665 .
C48 C49 C50 C52 0.0(17) . .
C49 C50 C51 C49 -1.0(18) . 5_665
C52 C50 C51 C49 -178.6(11) . 5_665
C49 C50 C51 C53 -179.6(11) . .
C52 C50 C51 C53 2.7(18) . .
C58 C56 C57 C58 1.1(17) 7_545 .
C55 C56 C57 C58 179.2(10) . .
C58 C56 C57 C59 -178.1(10) 7_545 .
C55 C56 C57 C59 0.0(16) . .
C56 C57 C58 C56 -1.1(17) . 7_545
C59 C57 C58 C56 178.1(10) . 7_545
C56 C57 C58 C60 -176.9(10) . .
C59 C57 C58 C60 2.3(15) . .
