#------------------------------------------------------------------------------
#$Date: 2019-11-25 22:23:22 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/18/4131820.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_4131820
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                 97.1376(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   31.287(2)
_cell_length_b                   14.5786(10)
_cell_length_c                   19.1847(13)
_cell_measurement_reflns_used    29631
_cell_measurement_temperature    253
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.06
_cell_volume                     8682.7(10)
_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      253
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_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  0.1330
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_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            66125
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.992
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.909
_exptl_absorpt_correction_T_max  0.629
_exptl_absorpt_correction_T_min  0.211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4624.00
_exptl_crystal_size_max          0.184
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.067
_refine_diff_density_max         1.92
_refine_diff_density_min         -1.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.858
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9926
_refine_ls_number_restraints     406
_refine_ls_R_factor_all          0.1523
_refine_ls_R_factor_gt           0.0706
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2157
_refine_ls_wR_factor_ref         0.2849
_reflns_number_gt                4808
_reflns_number_total             9926
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja7b11316_si_002.cif
_cod_data_source_block           2-253K
_cod_database_code               4131820
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.44479(2) 0.78148(4) 0.23757(3) 0.0711(2) Uani 1 8 d .
Au2 Au 0.21176(2) 0.63322(4) 0.08484(3) 0.0826(3) Uani 1 8 d .
P43 P 0.41976(13) 0.7165(3) 0.33215(18) 0.0651(9) Uani 1 8 d .
P46 P 0.19793(16) 0.7789(3) 0.1165(2) 0.0787(11) Uani 1 8 d .
F39 F 0.3590(4) 0.9653(8) 0.2342(6) 0.114(3) Uani 1 8 d .
F40 F 0.5082(4) 0.3704(8) 0.4219(7) 0.132(3) Uani 1 8 d .
F41 F 0.0622(4) 0.7944(9) 0.3029(6) 0.131(3) Uani 1 8 d .
F42 F 0.1137(4) 0.9999(8) -0.1166(6) 0.121(3) Uani 1 8 d .
F44 F 0.2380(3) 0.6070(9) 0.2602(6) 0.116(3) Uani 1 8 d .
F45 F 0.4057(4) 0.9529(9) 0.5771(7) 0.135(3) Uani 1 8 d .
C3 C 0.44548(13) 0.6108(3) 0.3613(3) 0.100(2) Uani 1 8 d .
C4 C 0.48725(13) 0.5954(4) 0.3465(3) 0.105(2) Uani 1 8 d .
C5 C 0.50859(15) 0.5150(4) 0.3689(3) 0.110(2) Uani 1 8 d .
C6 C 0.48810(17) 0.4500(4) 0.4061(4) 0.112(2) Uani 1 8 d .
C7 C 0.44633(17) 0.4653(4) 0.4209(3) 0.107(2) Uani 1 8 d .
C8 C 0.42501(15) 0.5457(3) 0.3986(3) 0.102(2) Uani 1 8 d .
C9 C 0.36503(12) 0.6798(3) 0.31551(19) 0.088(2) Uani 1 8 d .
C10 C 0.34983(12) 0.6503(3) 0.2481(2) 0.091(2) Uani 1 8 d .
C11 C 0.30668(13) 0.6270(2) 0.2314(2) 0.095(2) Uani 1 8 d .
C12 C 0.27874(12) 0.6332(3) 0.2822(2) 0.097(2) Uani 1 8 d .
C13 C 0.29396(12) 0.6628(3) 0.34961(19) 0.094(2) Uani 1 8 d .
C14 C 0.33710(12) 0.6861(3) 0.36630(18) 0.090(2) Uani 1 8 d .
C15 C 0.41979(12) 0.7904(3) 0.4057(2) 0.112(3) Uani 1 8 d .
C16 C 0.43481(13) 0.7591(4) 0.4727(2) 0.114(3) Uani 1 8 d .
C17 C 0.42947(16) 0.8126(4) 0.5310(2) 0.117(3) Uani 1 8 d .
C18 C 0.40916(17) 0.8974(4) 0.5222(3) 0.120(3) Uani 1 8 d .
C19 C 0.39414(16) 0.9286(4) 0.4552(3) 0.119(3) Uani 1 8 d .
C20 C 0.39945(13) 0.8751(3) 0.3969(3) 0.115(3) Uani 1 8 d .
C21 C 0.17491(13) 0.8480(4) 0.04727(19) 0.092(2) Uani 1 8 d .
C22 C 0.14567(15) 0.8046(4) -0.0025(2) 0.095(2) Uani 1 8 d .
C23 C 0.12435(16) 0.8545(5) -0.0580(2) 0.098(2) Uani 1 8 d .
C24 C 0.13229(17) 0.9478(5) -0.0638(2) 0.100(2) Uani 1 8 d .
C25 C 0.16155(16) 0.9912(4) -0.0140(3) 0.097(2) Uani 1 8 d .
C26 C 0.18285(14) 0.9413(4) 0.0415(2) 0.094(2) Uani 1 8 d .
C27 C 0.24680(12) 0.8382(3) 0.15193(17) 0.096(2) Uani 1 8 d .
C28 C 0.25192(12) 0.8709(3) 0.22053(19) 0.098(2) Uani 1 8 d .
C29 C 0.29032(13) 0.9127(2) 0.2478(2) 0.102(2) Uani 1 8 d .
C30 C 0.32358(13) 0.9218(3) 0.2066(2) 0.102(2) Uani 1 8 d .
C31 C 0.31846(13) 0.8891(3) 0.1380(2) 0.101(2) Uani 1 8 d .
C32 C 0.28007(13) 0.8473(3) 0.11068(18) 0.098(2) Uani 1 8 d .
C33 C 0.15980(11) 0.7853(4) 0.1775(2) 0.101(2) Uani 1 8 d .
C34 C 0.14425(11) 0.7044(4) 0.2033(2) 0.103(2) Uani 1 8 d .
C35 C 0.11090(11) 0.7072(5) 0.2448(3) 0.107(2) Uani 1 8 d .
C36 C 0.09310(11) 0.7909(5) 0.2606(3) 0.111(2) Uani 1 8 d .
C37 C 0.10862(12) 0.8718(5) 0.2348(2) 0.108(2) Uani 1 8 d .
C38 C 0.14197(12) 0.8690(4) 0.1933(2) 0.104(2) Uani 1 8 d .
C47 C 0.4625(5) 0.8413(11) 0.1521(8) 0.076(2) Uani 1 8 d .
C48 C 0.4733(5) 0.8849(11) 0.1041(8) 0.074(2) Uani 1 8 d .
C49 C 0.4873(5) 0.9411(10) 0.0511(7) 0.073(2) Uani 1 8 d .
C50 C 0.4768(5) 0.9211(10) -0.0202(7) 0.072(2) Uani 1 8 d .
C51 C 0.5114(5) 1.0201(11) 0.0706(7) 0.074(2) Uani 1 8 d .
C52 C 0.2241(6) 0.5072(11) 0.0585(8) 0.082(3) Uani 1 8 d .
C53 C 0.2329(6) 0.4326(11) 0.0426(8) 0.080(2) Uani 1 8 d .
C54 C 0.2418(6) 0.3397(11) 0.0203(8) 0.078(2) Uani 1 8 d .
C55 C 0.2746(6) 0.2883(10) 0.0583(8) 0.077(2) Uani 1 8 d .
C56 C 0.3020(7) 0.3273(13) 0.1227(8) 0.098(5) Uani 1 8 d .
C57 C 0.2162(6) 0.3010(10) -0.0382(8) 0.077(2) Uani 1 8 d .
C58 C 0.4518(6) 0.8345(13) -0.0393(9) 0.100(5) Uani 1 8 d .
C59 C 0.5206(8) 1.0418(14) 0.1472(8) 0.112(6) Uani 1 8 d .
C60 C 0.1824(6) 0.3568(12) -0.0810(9) 0.093(5) Uani 1 8 d .
H4 H 0.50093 0.63894 0.32163 0.1259 Uiso 1 8 calc R
H5 H 0.53655 0.50472 0.35904 0.1320 Uiso 1 8 calc R
H7 H 0.43263 0.42181 0.4458 0.1290 Uiso 1 8 calc R
H8 H 0.39706 0.55603 0.40847 0.1224 Uiso 1 8 calc R
H10 H 0.36852 0.64609 0.21415 0.1091 Uiso 1 8 calc R
H11 H 0.29651 0.60721 0.18632 0.1143 Uiso 1 8 calc R
H13 H 0.27527 0.66696 0.38357 0.1126 Uiso 1 8 calc R
H14 H 0.34727 0.70583 0.41141 0.1075 Uiso 1 8 calc R
H16 H 0.44842 0.70246 0.47857 0.1363 Uiso 1 8 calc R
H17 H 0.43949 0.7917 0.57585 0.1407 Uiso 1 8 calc R
H19 H 0.38054 0.98528 0.44929 0.1425 Uiso 1 8 calc R
H20 H 0.38938 0.89597 0.35203 0.1379 Uiso 1 8 calc R
H22 H 0.14037 0.74211 0.00135 0.1142 Uiso 1 8 calc R
H23 H 0.10478 0.82545 -0.0913 0.1177 Uiso 1 8 calc R
H25 H 0.16686 1.05369 -0.01783 0.1165 Uiso 1 8 calc R
H26 H 0.20241 0.97038 0.07481 0.1124 Uiso 1 8 calc R
H28 H 0.22967 0.86476 0.24814 0.1178 Uiso 1 8 calc R
H29 H 0.29375 0.93455 0.29374 0.1220 Uiso 1 8 calc R
H31 H 0.34072 0.89515 0.11038 0.1206 Uiso 1 8 calc R
H32 H 0.27664 0.82537 0.06479 0.1174 Uiso 1 8 calc R
H34 H 0.15616 0.64842 0.19276 0.1236 Uiso 1 8 calc R
H35 H 0.10049 0.65305 0.26207 0.1290 Uiso 1 8 calc R
H37 H 0.09669 0.92774 0.24536 0.1294 Uiso 1 8 calc R
H38 H 0.15235 0.92315 0.17603 0.1244 Uiso 1 8 calc R
H56A H 0.29267 0.38856 0.13122 0.1172 Uiso 1 8 calc R
H56B H 0.29886 0.28959 0.16282 0.1172 Uiso 1 8 calc R
H56C H 0.33167 0.32826 0.11474 0.1172 Uiso 1 8 calc R
H58A H 0.44669 0.82867 -0.08946 0.1200 Uiso 1 8 calc R
H58B H 0.468 0.78254 -0.01988 0.1200 Uiso 1 8 calc R
H58C H 0.42473 0.83693 -0.02059 0.1200 Uiso 1 8 calc R
H59A H 0.53723 1.09719 0.15329 0.1345 Uiso 1 8 calc R
H59B H 0.49396 1.04984 0.16645 0.1345 Uiso 1 8 calc R
H59C H 0.53653 0.99225 0.17094 0.1345 Uiso 1 8 calc R
H60A H 0.18038 0.41595 -0.05967 0.1120 Uiso 1 8 calc R
H60B H 0.19003 0.36428 -0.12766 0.1120 Uiso 1 8 calc R
H60C H 0.15514 0.32605 -0.08329 0.1120 Uiso 1 8 calc R
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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P43 Au1 C47 175.9(4) yes . .
P46 Au2 C52 179.4(5) yes . .
Au1 P43 C3 114.9(2) yes . .
Au1 P43 C9 113.6(2) yes . .
Au1 P43 C15 114.6(2) yes . .
C3 P43 C9 100.4(3) yes . .
C3 P43 C15 108.5(3) yes . .
C9 P43 C15 103.3(3) yes . .
Au2 P46 C21 114.2(2) yes . .
Au2 P46 C27 111.5(3) yes . .
Au2 P46 C33 113.2(3) yes . .
C21 P46 C27 105.0(3) yes . .
C21 P46 C33 102.9(3) yes . .
C27 P46 C33 109.4(3) yes . .
P43 C3 C4 118.1(4) yes . .
P43 C3 C8 121.9(4) yes . .
C4 C3 C8 120.0(5) yes . .
C3 C4 C5 120.0(5) yes . .
C4 C5 C6 120.0(5) yes . .
F40 C6 C5 118.3(8) yes . .
F40 C6 C7 121.4(8) yes . .
C5 C6 C7 120.0(5) yes . .
C6 C7 C8 120.0(5) yes . .
C3 C8 C7 120.0(5) yes . .
P43 C9 C10 118.0(3) yes . .
P43 C9 C14 121.8(3) yes . .
C10 C9 C14 120.0(3) yes . .
C9 C10 C11 120.0(4) yes . .
C10 C11 C12 120.0(3) yes . .
F44 C12 C11 114.5(6) yes . .
F44 C12 C13 125.5(6) yes . .
C11 C12 C13 120.0(3) yes . .
C12 C13 C14 120.0(4) yes . .
C9 C14 C13 120.0(3) yes . .
P43 C15 C16 120.2(4) yes . .
P43 C15 C20 119.2(3) yes . .
C16 C15 C20 120.0(4) yes . .
C15 C16 C17 120.0(5) yes . .
C16 C17 C18 120.0(4) yes . .
F45 C18 C17 121.4(7) yes . .
F45 C18 C19 118.5(7) yes . .
C17 C18 C19 120.0(5) yes . .
C18 C19 C20 120.0(5) yes . .
C15 C20 C19 120.0(4) yes . .
P46 C21 C22 115.6(4) yes . .
P46 C21 C26 124.3(3) yes . .
C22 C21 C26 120.0(4) yes . .
C21 C22 C23 120.0(5) yes . .
C22 C23 C24 120.0(5) yes . .
F42 C24 C23 123.4(7) yes . .
F42 C24 C25 116.6(7) yes . .
C23 C24 C25 120.0(5) yes . .
C24 C25 C26 120.0(6) yes . .
C21 C26 C25 120.0(4) yes . .
P46 C27 C28 120.7(3) yes . .
P46 C27 C32 119.2(3) yes . .
C28 C27 C32 120.0(3) yes . .
C27 C28 C29 120.0(4) yes . .
C28 C29 C30 120.0(4) yes . .
F39 C30 C29 117.7(6) yes . .
F39 C30 C31 122.2(6) yes . .
C29 C30 C31 120.0(4) yes . .
C30 C31 C32 120.0(4) yes . .
C27 C32 C31 120.0(3) yes . .
P46 C33 C34 118.9(4) yes . .
P46 C33 C38 120.7(4) yes . .
C34 C33 C38 120.0(4) yes . .
C33 C34 C35 120.0(5) yes . .
C34 C35 C36 120.0(5) yes . .
F41 C36 C35 120.3(8) yes . .
F41 C36 C37 119.6(8) yes . .
C35 C36 C37 120.0(4) yes . .
C36 C37 C38 120.0(6) yes . .
C33 C38 C37 120.0(5) yes . .
Au1 C47 C48 173.8(14) yes . .
C47 C48 C49 176.0(16) yes . .
C48 C49 C50 121.8(13) yes . .
C48 C49 C51 119.1(13) yes . .
C50 C49 C51 119.1(14) yes . .
C49 C50 C51 120.4(14) yes . 3_675
C49 C50 C58 117.7(14) yes . .
C51 C50 C58 121.9(13) yes 3_675 .
C49 C51 C50 120.4(13) yes . 3_675
C49 C51 C59 117.9(15) yes . .
C50 C51 C59 121.5(15) yes 3_675 .
Au2 C52 C53 177.7(16) yes . .
C52 C53 C54 177.0(17) yes . .
C53 C54 C55 119.9(13) yes . .
C53 C54 C57 119.6(14) yes . .
C55 C54 C57 120.4(14) yes . .
C54 C55 C56 121.6(14) yes . .
C54 C55 C57 121.2(13) yes . 7_555
C56 C55 C57 117.2(14) yes . 7_555
C54 C57 C55 118.4(14) yes . 7_555
C54 C57 C60 120.8(14) yes . .
C55 C57 C60 120.7(13) yes 7_555 .
C3 C4 H4 119.983 no . .
C5 C4 H4 120.006 no . .
C4 C5 H5 120.022 no . .
C6 C5 H5 120.022 no . .
C6 C7 H7 119.997 no . .
C8 C7 H7 119.980 no . .
C3 C8 H8 120.004 no . .
C7 C8 H8 120.016 no . .
C9 C10 H10 119.998 no . .
C11 C10 H10 119.991 no . .
C10 C11 H11 120.004 no . .
C12 C11 H11 120.002 no . .
C12 C13 H13 119.982 no . .
C14 C13 H13 119.977 no . .
C9 C14 H14 120.026 no . .
C13 C14 H14 120.015 no . .
C15 C16 H16 120.018 no . .
C17 C16 H16 119.991 no . .
C16 C17 H17 120.005 no . .
C18 C17 H17 120.006 no . .
C18 C19 H19 119.985 no . .
C20 C19 H19 120.011 no . .
C15 C20 H20 120.016 no . .
C19 C20 H20 119.991 no . .
C21 C22 H22 119.997 no . .
C23 C22 H22 120.008 no . .
C22 C23 H23 120.000 no . .
C24 C23 H23 120.003 no . .
C24 C25 H25 120.001 no . .
C26 C25 H25 119.994 no . .
C21 C26 H26 120.001 no . .
C25 C26 H26 119.995 no . .
C27 C28 H28 120.015 no . .
C29 C28 H28 120.006 no . .
C28 C29 H29 119.994 no . .
C30 C29 H29 119.995 no . .
C30 C31 H31 120.000 no . .
C32 C31 H31 120.018 no . .
C27 C32 H32 119.983 no . .
C31 C32 H32 119.994 no . .
C33 C34 H34 120.000 no . .
C35 C34 H34 119.977 no . .
C34 C35 H35 120.021 no . .
C36 C35 H35 119.994 no . .
C36 C37 H37 120.000 no . .
C38 C37 H37 120.006 no . .
C33 C38 H38 120.005 no . .
C37 C38 H38 119.987 no . .
C55 C56 H56A 109.473 no . .
C55 C56 H56B 109.461 no . .
C55 C56 H56C 109.485 no . .
H56A C56 H56B 109.455 no . .
H56A C56 H56C 109.484 no . .
H56B C56 H56C 109.469 no . .
C50 C58 H58A 109.459 no . .
C50 C58 H58B 109.474 no . .
C50 C58 H58C 109.476 no . .
H58A C58 H58B 109.458 no . .
H58A C58 H58C 109.487 no . .
H58B C58 H58C 109.473 no . .
C51 C59 H59A 109.480 no . .
C51 C59 H59B 109.470 no . .
C51 C59 H59C 109.469 no . .
H59A C59 H59B 109.468 no . .
H59A C59 H59C 109.472 no . .
H59B C59 H59C 109.468 no . .
C57 C60 H60A 109.478 no . .
C57 C60 H60B 109.480 no . .
C57 C60 H60C 109.472 no . .
H60A C60 H60B 109.475 no . .
H60A C60 H60C 109.459 no . .
H60B C60 H60C 109.463 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Au1 P43 2.271(4) yes .
Au1 C47 1.995(16) yes .
Au2 P46 2.265(4) yes .
Au2 C52 1.956(16) yes .
P43 C3 1.796(6) yes .
P43 C9 1.785(5) yes .
P43 C15 1.774(6) yes .
P46 C21 1.750(6) yes .
P46 C27 1.814(6) yes .
P46 C33 1.774(6) yes .
F39 C30 1.329(12) yes .
F40 C6 1.336(13) yes .
F41 C36 1.338(14) yes .
F42 C24 1.340(12) yes .
F44 C12 1.347(11) yes .
F45 C18 1.344(14) yes .
C3 C4 1.390(6) yes .
C3 C8 1.390(7) yes .
C4 C5 1.391(8) yes .
C5 C6 1.390(9) yes .
C6 C7 1.389(8) yes .
C7 C8 1.390(7) yes .
C9 C10 1.390(5) yes .
C9 C14 1.390(5) yes .
C10 C11 1.390(5) yes .
C11 C12 1.390(6) yes .
C12 C13 1.390(5) yes .
C13 C14 1.390(5) yes .
C15 C16 1.390(6) yes .
C15 C20 1.390(6) yes .
C16 C17 1.390(7) yes .
C17 C18 1.390(9) yes .
C18 C19 1.390(7) yes .
C19 C20 1.390(7) yes .
C21 C22 1.390(6) yes .
C21 C26 1.390(7) yes .
C22 C23 1.390(7) yes .
C23 C24 1.390(10) yes .
C24 C25 1.391(7) yes .
C25 C26 1.390(7) yes .
C27 C28 1.390(5) yes .
C27 C32 1.390(6) yes .
C28 C29 1.390(5) yes .
C29 C30 1.390(6) yes .
C30 C31 1.390(6) yes .
C31 C32 1.390(6) yes .
C33 C34 1.390(7) yes .
C33 C38 1.390(7) yes .
C34 C35 1.390(6) yes .
C35 C36 1.390(9) yes .
C36 C37 1.390(9) yes .
C37 C38 1.390(6) yes .
C47 C48 1.20(2) yes .
C48 C49 1.42(2) yes .
C49 C50 1.40(2) yes .
C49 C51 1.40(2) yes .
C50 C51 1.38(2) yes 3_675
C50 C58 1.51(2) yes .
C51 C59 1.49(2) yes .
C52 C53 1.17(2) yes .
C53 C54 1.46(2) yes .
C54 C55 1.40(2) yes .
C54 C57 1.41(2) yes .
C55 C56 1.52(2) yes .
C55 C57 1.40(2) yes 7_555
C57 C60 1.50(2) yes .
C4 H4 0.930 no .
C5 H5 0.930 no .
C7 H7 0.930 no .
C8 H8 0.930 no .
C10 H10 0.930 no .
C11 H11 0.930 no .
C13 H13 0.930 no .
C14 H14 0.930 no .
C16 H16 0.930 no .
C17 H17 0.930 no .
C19 H19 0.930 no .
C20 H20 0.930 no .
C22 H22 0.930 no .
C23 H23 0.930 no .
C25 H25 0.930 no .
C26 H26 0.930 no .
C28 H28 0.930 no .
C29 H29 0.930 no .
C31 H31 0.930 no .
C32 H32 0.930 no .
C34 H34 0.930 no .
C35 H35 0.930 no .
C37 H37 0.930 no .
C38 H38 0.930 no .
C56 H56A 0.960 no .
C56 H56B 0.960 no .
C56 H56C 0.960 no .
C58 H58A 0.960 no .
C58 H58B 0.960 no .
C58 H58C 0.960 no .
C59 H59A 0.960 no .
C59 H59B 0.960 no .
C59 H59C 0.960 no .
C60 H60A 0.960 no .
C60 H60B 0.960 no .
C60 H60C 0.960 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Au1 C4 3.578(6) no .
Au1 C10 3.560(4) no .
Au2 C22 3.530(5) no .
Au2 C34 3.449(5) no .
F44 C10 3.591(11) no .
C3 C6 2.780(7) no .
C3 C10 3.520(5) no .
C3 C14 3.577(6) no .
C3 C16 3.087(7) no .
C4 C7 2.780(8) no .
C5 C8 2.780(7) no .
C8 C9 3.023(6) no .
C8 C14 3.422(6) no .
C8 C15 3.574(7) no .
C8 C16 3.419(7) no .
C9 C12 2.780(5) no .
C9 C20 3.359(6) no .
C10 C13 2.780(6) no .
C11 C14 2.780(5) no .
C14 C15 3.015(5) no .
C14 C20 3.385(6) no .
C15 C18 2.780(7) no .
C16 C19 2.780(7) no .
C17 C20 2.780(7) no .
C21 C24 2.780(7) no .
C21 C32 3.363(6) no .
C21 C38 3.118(6) no .
C22 C25 2.780(9) no .
C22 C33 3.438(5) no .
C23 C26 2.780(7) no .
C26 C27 3.114(6) no .
C26 C32 3.448(6) no .
C26 C38 3.486(6) no .
C27 C30 2.780(5) no .
C27 C38 3.498(6) no .
C28 C31 2.781(6) no .
C28 C33 3.155(5) no .
C28 C38 3.415(5) no .
C29 C32 2.780(5) no .
C33 C36 2.780(6) no .
C34 C37 2.780(8) no .
C35 C38 2.780(8) no .
C47 C50 3.59(2) no .
C47 C51 3.49(2) no .
C47 C59 3.45(3) no .
C48 C58 2.85(2) no .
C48 C59 2.79(3) no .
C49 C49 2.79(2) no 3_675
C50 C50 2.78(2) no 3_675
C51 C51 2.78(2) no 3_675
C52 C55 3.56(2) no .
C52 C57 3.53(2) no .
C52 C60 3.58(2) no .
C53 C56 2.93(2) no .
C53 C60 2.90(2) no .
C54 C54 2.79(2) no 7_555
C55 C55 2.79(2) no 7_555
C56 C60 2.86(3) no 7_555
C57 C57 2.84(2) no 7_555
C58 C59 2.96(3) no 3_675
Au1 Au1 3.4283(9) no 2_655
Au1 C47 3.483(15) no 2_655
Au2 F44 3.384(11) no .
F39 C20 3.477(11) no .
F40 F41 3.203(19) no 5_545
F40 C16 3.153(13) no 3_666
F40 C17 3.362(13) no 3_666
F40 C58 3.59(2) no 4_565
F41 F40 3.203(19) no 5_455
F41 C17 3.529(13) no 7_566
F42 C5 3.274(13) no 8_464
F42 C37 3.397(12) no 4_574
F44 Au2 3.384(11) no .
F44 C28 3.473(14) no 6_545
F44 C29 2.967(13) no 6_545
F44 C30 3.423(13) no 6_545
F44 C34 3.319(11) no .
F45 C48 3.17(2) no 4_575
F45 C49 3.08(2) no 4_575
F45 C50 3.58(2) no 4_575
F45 C51 3.35(2) no 4_575
F45 C60 3.10(2) no 6_555
C5 F42 3.274(13) no 8_565
C7 C37 3.531(7) no 6_545
C7 C38 3.592(7) no 6_545
C13 C55 3.466(17) no 6_555
C13 C57 3.484(17) no 4_565
C16 F40 3.153(13) no 3_666
C17 F40 3.362(13) no 3_666
C17 F41 3.529(13) no 7_566
C17 C50 3.361(16) no 2_655
C17 C51 3.550(16) no 4_575
C18 C49 3.389(16) no 4_575
C18 C50 3.590(16) no 2_655
C18 C50 3.546(16) no 4_575
C18 C51 3.435(16) no 4_575
C18 C60 3.26(2) no 6_555
C19 C50 3.378(15) no 4_575
C19 C51 3.336(16) no 2_655
C20 F39 3.477(11) no .
C20 C51 3.495(16) no 2_655
C25 C53 3.590(18) no 7_565
C28 F44 3.473(14) no 6_555
C29 F44 2.967(13) no 6_555
C30 F44 3.423(13) no 6_555
C34 F44 3.319(11) no .
C37 F42 3.397(12) no 4_575
C37 C7 3.531(7) no 6_555
C38 C7 3.592(7) no 6_555
C47 Au1 3.483(15) no 2_655
C48 F45 3.17(2) no 4_574
C49 F45 3.08(2) no 4_574
C49 C18 3.389(16) no 4_574
C50 F45 3.58(2) no 4_574
C50 C17 3.361(16) no 2_655
C50 C18 3.590(16) no 2_655
C50 C18 3.546(16) no 4_574
C50 C19 3.378(15) no 4_574
C51 F45 3.35(2) no 4_574
C51 C17 3.550(16) no 4_574
C51 C18 3.435(16) no 4_574
C51 C19 3.336(16) no 2_655
C51 C20 3.495(16) no 2_655
C53 C25 3.590(18) no 7_565
C55 C13 3.466(17) no 6_545
C57 C13 3.484(17) no 4_564
C58 F40 3.59(2) no 4_564
C60 F45 3.10(2) no 6_545
C60 C18 3.26(2) no 6_545
Au1 H4 3.0496 no .
Au1 H10 3.0863 no .
Au1 H20 3.3999 no .
Au2 H22 3.0307 no .
Au2 H32 3.5085 no .
Au2 H34 2.8735 no .
P43 H4 2.8102 no .
P43 H8 2.8951 no .
P43 H10 2.8013 no .
P43 H14 2.8874 no .
P43 H16 2.8479 no .
P43 H20 2.8253 no .
P46 H22 2.7245 no .
P46 H26 2.9128 no .
P46 H28 2.8823 no .
P46 H32 2.8490 no .
P46 H34 2.8174 no .
P46 H38 2.8578 no .
F39 H29 2.5011 no .
F39 H31 2.5846 no .
F40 H5 2.5188 no .
F40 H7 2.5742 no .
F41 H35 2.5551 no .
F41 H37 2.5413 no .
F42 H23 2.6108 no .
F42 H25 2.4871 no .
F44 H11 2.4505 no .
F44 H13 2.6532 no .
F45 H17 2.5789 no .
F45 H19 2.5251 no .
C3 H5 3.2468 no .
C3 H7 3.2462 no .
C3 H10 3.5138 no .
C3 H16 2.6081 no .
C4 H8 3.2461 no .
C4 H16 3.3306 no .
C5 H7 3.2464 no .
C6 H4 3.2467 no .
C6 H8 3.2462 no .
C7 H5 3.2465 no .
C8 H4 3.2461 no .
C8 H14 3.4019 no .
C8 H16 2.7989 no .
C9 H8 2.6452 no .
C9 H11 3.2463 no .
C9 H13 3.2462 no .
C9 H20 3.2969 no .
C10 H8 3.5222 no .
C10 H14 3.2465 no .
C11 H13 3.2462 no .
C12 H10 3.2466 no .
C12 H14 3.2469 no .
C13 H11 3.2463 no .
C14 H8 2.7186 no .
C14 H10 3.2464 no .
C14 H20 3.4965 no .
C15 H8 3.4915 no .
C15 H14 2.5965 no .
C15 H17 3.2465 no .
C15 H19 3.2461 no .
C16 H8 3.3645 no .
C16 H14 2.9475 no .
C16 H20 3.2467 no .
C17 H14 3.5825 no .
C17 H19 3.2465 no .
C18 H16 3.2465 no .
C18 H20 3.2466 no .
C19 H17 3.2467 no .
C20 H14 2.9908 no .
C20 H16 3.2465 no .
C21 H23 3.2465 no .
C21 H25 3.2462 no .
C21 H32 3.1759 no .
C21 H38 2.8695 no .
C22 H26 3.2467 no .
C23 H25 3.2469 no .
C24 H22 3.2466 no .
C24 H26 3.2467 no .
C25 H23 3.2468 no .
C26 H22 3.2467 no .
C26 H32 3.3678 no .
C26 H38 2.8728 no .
C27 H26 2.7060 no .
C27 H29 3.2466 no .
C27 H31 3.2469 no .
C27 H38 3.2894 no .
C28 H26 3.3532 no .
C28 H32 3.2464 no .
C28 H38 3.2178 no .
C29 H31 3.2466 no .
C30 H28 3.2467 no .
C30 H32 3.2465 no .
C31 H29 3.2465 no .
C32 H26 3.0304 no .
C32 H28 3.2464 no .
C33 H22 3.4172 no .
C33 H28 2.6870 no .
C33 H35 3.2468 no .
C33 H37 3.2470 no .
C34 H28 3.5742 no .
C34 H38 3.2464 no .
C35 H37 3.2462 no .
C36 H34 3.2459 no .
C36 H38 3.2458 no .
C37 H35 3.2462 no .
C38 H26 3.4632 no .
C38 H28 2.8147 no .
C38 H34 3.2466 no .
C47 H58B 3.4341 no .
C47 H58C 3.3771 no .
C47 H59B 3.1977 no .
C47 H59C 3.1838 no .
C48 H58B 2.7959 no .
C48 H58C 2.7612 no .
C48 H59B 2.7268 no .
C48 H59C 2.7147 no .
C49 H58A 3.2736 no .
C49 H58B 2.7124 no .
C49 H58C 2.7122 no .
C49 H59A 3.2719 no .
C49 H59B 2.7094 no .
C49 H59C 2.7092 no .
C50 H59A 2.5497 no 3_675
C50 H59B 3.0863 no 3_675
C50 H59C 3.1355 no 3_675
C51 H58A 2.5678 no 3_675
C51 H58B 3.1299 no 3_675
C51 H58C 3.1205 no 3_675
C52 H56A 2.9666 no .
C52 H60A 2.8301 no .
C53 H56A 2.4519 no .
C53 H56B 3.5702 no .
C53 H56C 3.5665 no .
C53 H60A 2.4096 no .
C53 H60B 3.5172 no .
C53 H60C 3.5643 no .
C54 H56A 2.5943 no .
C54 H56B 3.1602 no .
C54 H56C 3.1551 no .
C54 H60A 2.5587 no .
C54 H60B 3.1086 no .
C54 H60C 3.1618 no .
C55 H60A 3.2918 no 7_555
C55 H60B 2.7519 no 7_555
C55 H60C 2.7521 no 7_555
C56 H60B 2.8044 no 7_555
C56 H60C 2.7605 no 7_555
C57 H56A 3.2827 no 7_555
C57 H56B 2.7208 no 7_555
C57 H56C 2.7206 no 7_555
C58 H59A 2.4666 no 3_675
C58 H59B 3.5653 no 3_675
C59 H58A 2.4741 no 3_675
C59 H58B 3.5869 no 3_675
C60 H56B 2.7549 no 7_555
C60 H56C 2.7967 no 7_555
H4 H5 2.3210 no .
H7 H8 2.3199 no .
H8 H14 2.6872 no .
H8 H16 2.9001 no .
H10 H11 2.3202 no .
H13 H14 2.3199 no .
H14 H16 3.2656 no .
H14 H20 3.3302 no .
H16 H17 2.3202 no .
H19 H20 2.3198 no .
H22 H23 2.3203 no .
H25 H26 2.3194 no .
H26 H32 3.1640 no .
H26 H38 2.7302 no .
H28 H29 2.3204 no .
H28 H38 2.7675 no .
H31 H32 2.3203 no .
H34 H35 2.3199 no .
H37 H38 2.3199 no .
H56B H60B 2.3804 no 7_555
H56B H60C 2.7905 no 7_555
H56C H60B 2.9057 no 7_555
H56C H60C 2.3785 no 7_555
H58A H59A 1.7533 no 3_675
H58A H59B 3.0738 no 3_675
H58A H59C 3.1207 no 3_675
H58B H59A 3.0899 no 3_675
H58C H59A 3.0940 no 3_675
Au1 H4 2.9952 no 2_655
Au1 H23 3.4100 no 7_565
Au1 H59C 3.5509 no 2_655
Au2 H11 3.1116 no .
Au2 H19 3.5986 no 6_545
Au2 H32 2.9992 no 7_565
F39 H20 2.5491 no .
F39 H34 3.0792 no 6_555
F39 H35 3.0132 no 6_555
F39 H59C 3.5588 no 2_655
F39 H60B 3.4538 no 7_565
F40 H16 2.4440 no 3_666
F40 H17 2.8724 no 3_666
F40 H58A 3.4736 no 4_565
F40 H58B 2.8542 no 4_565
F41 H5 3.3794 no 5_455
F41 H17 2.6496 no 7_566
F41 H56C 3.5305 no 6_555
F42 H5 2.4025 no 8_464
F42 H10 2.9327 no 7_565
F42 H37 2.8390 no 4_574
F42 H56A 3.3918 no 7_565
F42 H56C 3.0300 no 7_565
F44 H29 2.8503 no 6_545
F44 H34 2.7877 no .
F44 H56B 3.3194 no 6_555
F44 H60B 2.8033 no 4_565
F45 H31 3.1250 no 4_575
F45 H35 3.4771 no 7_566
F45 H59B 3.0645 no 4_575
F45 H60A 2.7255 no 6_555
F45 H60B 3.5070 no 6_555
F45 H60C 2.6669 no 6_555
C3 H37 3.5185 no 6_545
C4 H4 3.3531 no 2_655
C6 H16 3.5614 no 3_666
C7 H37 3.3498 no 6_545
C7 H38 3.4558 no 6_545
C8 H37 3.2522 no 6_545
C8 H38 3.1998 no 6_545
C10 H23 3.5006 no 7_565
C12 H56B 3.5834 no 6_555
C12 H60B 3.4480 no 4_565
C13 H26 3.1530 no 6_545
C13 H56B 3.4259 no 6_555
C13 H60B 3.3573 no 4_565
C14 H25 3.5043 no 6_545
C16 H58B 3.0819 no 2_655
C17 H58B 3.2708 no 2_655
C17 H60C 2.9517 no 6_555
C18 H60A 2.9897 no 6_555
C18 H60C 2.6622 no 6_555
C19 H58C 3.5647 no 4_575
C19 H59C 3.5668 no 2_655
C19 H60A 3.2638 no 6_555
C19 H60C 3.4055 no 6_555
C20 H59C 3.0447 no 2_655
C21 H7 3.5507 no 6_555
C22 H7 3.2816 no 6_555
C22 H32 3.4126 no 7_565
C22 H58C 3.0895 no 7_565
C23 H7 3.1193 no 6_555
C23 H10 3.0311 no 7_565
C24 H5 3.2468 no 8_464
C24 H7 3.2457 no 6_555
C24 H8 3.5902 no 6_555
C24 H10 3.1904 no 7_565
C24 H11 3.5262 no 7_565
C25 H7 3.5180 no 6_555
C25 H8 3.0455 no 6_555
C25 H56A 3.3137 no 7_565
C25 H56C 3.2874 no 7_565
C26 H8 3.2502 no 6_555
C28 H56A 3.3299 no 6_555
C28 H56B 3.1336 no 6_555
C29 H20 3.4814 no .
C30 H20 3.2768 no .
C30 H60B 3.4703 no 7_565
C31 H60A 3.2177 no 7_565
C33 H56B 3.1742 no 6_555
C34 H56B 3.1891 no 6_555
C34 H58A 3.3991 no 7_565
C34 H60B 3.5238 no 4_565
C35 H56B 3.3631 no 6_555
C35 H56C 3.5213 no 6_555
C35 H58A 3.3271 no 7_565
C35 H59A 3.1563 no 5_445
C35 H60B 3.4196 no 4_565
C35 H60C 3.4481 no 4_565
C36 H56B 3.5144 no 6_555
C36 H56C 3.1873 no 6_555
C37 H56B 3.5011 no 6_555
C37 H56C 3.2988 no 6_555
C38 H7 3.4076 no 6_555
C38 H8 3.4847 no 6_555
C38 H56B 3.3345 no 6_555
C47 H4 3.1814 no 2_655
C47 H23 3.3294 no 7_565
C50 H17 3.5003 no 2_655
C50 H19 3.2917 no 4_574
C51 H17 3.5566 no 4_574
C51 H19 3.4874 no 2_655
C52 H11 3.4485 no .
C52 H19 3.2737 no 6_545
C52 H29 3.1405 no 6_545
C52 H32 3.3967 no 7_565
C53 H25 3.2362 no 7_565
C53 H26 3.5075 no 7_565
C53 H29 3.3474 no 6_545
C54 H13 2.9443 no 4_564
C54 H13 3.2051 no 6_545
C54 H25 3.2591 no 7_565
C55 H13 3.4177 no 4_564
C55 H13 2.6906 no 6_545
C55 H25 3.1013 no 7_565
C56 H13 3.3538 no 6_545
C56 H25 2.9151 no 7_565
C56 H28 2.8333 no 6_545
C57 H13 2.5651 no 4_564
C57 H13 3.5344 no 6_545
C58 H19 3.4353 no 4_574
C58 H22 3.2570 no 7_565
C59 H20 3.5272 no 2_655
C59 H35 3.5169 no 5_555
C60 H13 3.0842 no 4_564
H4 Au1 2.9952 no 2_655
H4 C4 3.3531 no 2_655
H4 C47 3.1814 no 2_655
H4 H4 2.7418 no 2_655
H4 H23 3.5026 no 8_565
H5 F41 3.3794 no 5_545
H5 F42 2.4025 no 8_565
H5 C24 3.2468 no 8_565
H5 H23 3.3300 no 8_565
H5 H37 3.2521 no 5_545
H7 C21 3.5507 no 6_545
H7 C22 3.2816 no 6_545
H7 C23 3.1193 no 6_545
H7 C24 3.2457 no 6_545
H7 C25 3.5180 no 6_545
H7 C38 3.4076 no 6_545
H7 H23 3.4565 no 6_545
H7 H38 3.3148 no 6_545
H7 H58B 3.2175 no 4_565
H8 C24 3.5902 no 6_545
H8 C25 3.0455 no 6_545
H8 C26 3.2502 no 6_545
H8 C38 3.4847 no 6_545
H8 H25 3.0733 no 6_545
H8 H26 3.4052 no 6_545
H8 H37 3.5198 no 6_545
H8 H38 2.8544 no 6_545
H10 F42 2.9327 no 7_565
H10 C23 3.0311 no 7_565
H10 C24 3.1904 no 7_565
H10 H23 2.6294 no 7_565
H10 H37 3.4221 no 6_545
H11 Au2 3.1116 no .
H11 C24 3.5262 no 7_565
H11 C52 3.4485 no .
H11 H56A 3.3558 no .
H13 C54 2.9443 no 4_565
H13 C54 3.2051 no 6_555
H13 C55 3.4177 no 4_565
H13 C55 2.6906 no 6_555
H13 C56 3.3538 no 6_555
H13 C57 2.5651 no 4_565
H13 C57 3.5344 no 6_555
H13 C60 3.0842 no 4_565
H13 H25 3.3883 no 6_545
H13 H26 3.0331 no 6_545
H13 H56B 2.9756 no 6_555
H13 H60A 3.5020 no 4_565
H13 H60B 2.6876 no 4_565
H14 H25 3.0834 no 6_545
H16 F40 2.4440 no 3_666
H16 C6 3.5614 no 3_666
H16 H58B 2.8834 no 2_655
H17 F40 2.8724 no 3_666
H17 F41 2.6496 no 7_566
H17 C50 3.5003 no 2_655
H17 C51 3.5566 no 4_575
H17 H35 3.5845 no 7_566
H17 H58A 3.5789 no 2_655
H17 H58B 3.2125 no 2_655
H17 H59B 3.2444 no 4_575
H17 H60C 3.0235 no 6_555
H19 Au2 3.5986 no 6_555
H19 C50 3.2917 no 4_575
H19 C51 3.4874 no 2_655
H19 C52 3.2737 no 6_555
H19 C58 3.4353 no 4_575
H19 H58A 3.5462 no 4_575
H19 H58C 2.9606 no 4_575
H19 H60A 3.1846 no 6_555
H20 F39 2.5491 no .
H20 C29 3.4814 no .
H20 C30 3.2768 no .
H20 C59 3.5272 no 2_655
H20 H29 3.1124 no .
H20 H59C 2.7913 no 2_655
H22 C58 3.2570 no 7_565
H22 H31 3.0437 no 7_565
H22 H32 3.1841 no 7_565
H22 H58A 3.5335 no 7_565
H22 H58B 3.4714 no 7_565
H22 H58C 2.4082 no 7_565
H23 Au1 3.4100 no 7_565
H23 C10 3.5006 no 7_565
H23 C47 3.3294 no 7_565
H23 H4 3.5026 no 8_464
H23 H5 3.3300 no 8_464
H23 H7 3.4565 no 6_555
H23 H10 2.6294 no 7_565
H23 H58C 3.3995 no 7_565
H25 C14 3.5043 no 6_555
H25 C53 3.2362 no 7_565
H25 C54 3.2591 no 7_565
H25 C55 3.1013 no 7_565
H25 C56 2.9151 no 7_565
H25 H8 3.0733 no 6_555
H25 H13 3.3883 no 6_555
H25 H14 3.0834 no 6_555
H25 H56A 2.7801 no 7_565
H25 H56C 2.5381 no 7_565
H26 C13 3.1530 no 6_555
H26 C53 3.5075 no 7_565
H26 H8 3.4052 no 6_555
H26 H13 3.0331 no 6_555
H28 C56 2.8333 no 6_555
H28 H56A 2.5234 no 6_555
H28 H56B 2.3010 no 6_555
H28 H56C 3.4844 no 6_555
H29 F44 2.8503 no 6_555
H29 C52 3.1405 no 6_555
H29 C53 3.3474 no 6_555
H29 H20 3.1124 no .
H29 H34 3.4848 no 6_555
H29 H56A 3.2863 no 6_555
H31 F45 3.1250 no 4_574
H31 H22 3.0437 no 7_565
H31 H60A 2.9676 no 7_565
H32 Au2 2.9992 no 7_565
H32 C22 3.4126 no 7_565
H32 C52 3.3967 no 7_565
H32 H22 3.1841 no 7_565
H32 H32 3.5719 no 7_565
H34 F39 3.0792 no 6_545
H34 F44 2.7877 no .
H34 H29 3.4848 no 6_545
H34 H56B 3.5949 no 6_555
H34 H58A 3.5789 no 7_565
H34 H60B 3.4813 no 4_565
H35 F39 3.0132 no 6_545
H35 F45 3.4771 no 7_566
H35 C59 3.5169 no 5_445
H35 H17 3.5845 no 7_566
H35 H58A 3.4643 no 7_565
H35 H59A 2.8123 no 5_445
H35 H59C 3.4186 no 5_445
H35 H60B 3.3037 no 4_565
H35 H60C 3.2492 no 4_565
H37 F42 2.8390 no 4_575
H37 C3 3.5185 no 6_555
H37 C7 3.3498 no 6_555
H37 C8 3.2522 no 6_555
H37 H5 3.2521 no 5_455
H37 H8 3.5198 no 6_555
H37 H10 3.4221 no 6_555
H37 H56C 3.5827 no 6_555
H38 C7 3.4558 no 6_555
H38 C8 3.1998 no 6_555
H38 H7 3.3148 no 6_555
H38 H8 2.8544 no 6_555
H56A F42 3.3918 no 7_565
H56A C25 3.3137 no 7_565
H56A C28 3.3299 no 6_545
H56A H11 3.3558 no .
H56A H25 2.7801 no 7_565
H56A H28 2.5234 no 6_545
H56A H29 3.2863 no 6_545
H56B F44 3.3194 no 6_545
H56B C12 3.5834 no 6_545
H56B C13 3.4259 no 6_545
H56B C28 3.1336 no 6_545
H56B C33 3.1742 no 6_545
H56B C34 3.1891 no 6_545
H56B C35 3.3631 no 6_545
H56B C36 3.5144 no 6_545
H56B C37 3.5011 no 6_545
H56B C38 3.3345 no 6_545
H56B H13 2.9756 no 6_545
H56B H28 2.3010 no 6_545
H56B H34 3.5949 no 6_545
H56C F41 3.5305 no 6_545
H56C F42 3.0300 no 7_565
H56C C25 3.2874 no 7_565
H56C C35 3.5213 no 6_545
H56C C36 3.1873 no 6_545
H56C C37 3.2988 no 6_545
H56C H25 2.5381 no 7_565
H56C H28 3.4844 no 6_545
H56C H37 3.5827 no 6_545
H58A F40 3.4736 no 4_564
H58A C34 3.3991 no 7_565
H58A C35 3.3271 no 7_565
H58A H17 3.5789 no 2_655
H58A H19 3.5462 no 4_574
H58A H22 3.5335 no 7_565
H58A H34 3.5789 no 7_565
H58A H35 3.4643 no 7_565
H58B F40 2.8542 no 4_564
H58B C16 3.0819 no 2_655
H58B C17 3.2708 no 2_655
H58B H7 3.2175 no 4_564
H58B H16 2.8834 no 2_655
H58B H17 3.2125 no 2_655
H58B H22 3.4714 no 7_565
H58C C19 3.5647 no 4_574
H58C C22 3.0895 no 7_565
H58C H19 2.9606 no 4_574
H58C H22 2.4082 no 7_565
H58C H23 3.3995 no 7_565
H59A C35 3.1563 no 5_555
H59A H35 2.8123 no 5_555
H59B F45 3.0645 no 4_574
H59B H17 3.2444 no 4_574
H59B H59B 3.1810 no 2_655
H59B H59C 3.4766 no 2_655
H59C Au1 3.5509 no 2_655
H59C F39 3.5588 no 2_655
H59C C19 3.5668 no 2_655
H59C C20 3.0447 no 2_655
H59C H20 2.7913 no 2_655
H59C H35 3.4186 no 5_555
H59C H59B 3.4766 no 2_655
H60A F45 2.7255 no 6_545
H60A C18 2.9897 no 6_545
H60A C19 3.2638 no 6_545
H60A C31 3.2177 no 7_565
H60A H13 3.5020 no 4_564
H60A H19 3.1846 no 6_545
H60A H31 2.9676 no 7_565
H60B F39 3.4538 no 7_565
H60B F44 2.8033 no 4_564
H60B F45 3.5070 no 6_545
H60B C12 3.4480 no 4_564
H60B C13 3.3573 no 4_564
H60B C30 3.4703 no 7_565
H60B C34 3.5238 no 4_564
H60B C35 3.4196 no 4_564
H60B H13 2.6876 no 4_564
H60B H34 3.4813 no 4_564
H60B H35 3.3037 no 4_564
H60C F45 2.6669 no 6_545
H60C C17 2.9517 no 6_545
H60C C18 2.6622 no 6_545
H60C C19 3.4055 no 6_545
H60C C35 3.4481 no 4_564
H60C H17 3.0235 no 6_545
H60C H35 3.2492 no 4_564
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_publ_flag
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Au1 P43 C3 C4 25.7(4) no . .
Au1 P43 C3 C8 -155.2(3) no . .
Au1 P43 C9 C10 31.4(4) no . .
Au1 P43 C9 C14 -144.1(2) no . .
Au1 P43 C15 C16 -135.0(3) no . .
Au1 P43 C15 C20 53.5(4) no . .
C3 P43 C9 C10 -91.8(3) no . .
C3 P43 C9 C14 92.6(3) no . .
C9 P43 C3 C4 148.0(3) no . .
C9 P43 C3 C8 -32.9(4) no . .
C3 P43 C15 C16 -5.1(4) no . .
C3 P43 C15 C20 -176.6(3) no . .
C15 P43 C3 C4 -104.1(4) no . .
C15 P43 C3 C8 75.1(4) no . .
C9 P43 C15 C16 100.8(3) no . .
C9 P43 C15 C20 -70.6(4) no . .
C15 P43 C9 C10 156.2(3) no . .
C15 P43 C9 C14 -19.4(4) no . .
Au2 P46 C21 C22 36.9(4) no . .
Au2 P46 C21 C26 -145.8(3) no . .
Au2 P46 C27 C28 -118.7(3) no . .
Au2 P46 C27 C32 58.5(3) no . .
Au2 P46 C33 C34 3.9(4) no . .
Au2 P46 C33 C38 -168.8(2) no . .
C21 P46 C27 C28 117.1(3) no . .
C21 P46 C27 C32 -65.7(4) no . .
C27 P46 C21 C22 159.4(3) no . .
C27 P46 C21 C26 -23.3(5) no . .
C21 P46 C33 C34 127.7(3) no . .
C21 P46 C33 C38 -45.0(4) no . .
C33 P46 C21 C22 -86.2(4) no . .
C33 P46 C21 C26 91.1(4) no . .
C27 P46 C33 C34 -121.1(3) no . .
C27 P46 C33 C38 66.2(4) no . .
C33 P46 C27 C28 7.2(4) no . .
C33 P46 C27 C32 -175.5(3) no . .
P43 C3 C4 C5 179.2(3) no . .
P43 C3 C8 C7 -179.2(3) no . .
C4 C3 C8 C7 -0.0(7) no . .
C8 C3 C4 C5 -0.0(7) no . .
C3 C4 C5 C6 0.0(8) no . .
C4 C5 C6 F40 174.7(5) no . .
C4 C5 C6 C7 -0.0(9) no . .
F40 C6 C7 C8 -174.6(8) no . .
C5 C6 C7 C8 -0.0(9) no . .
C6 C7 C8 C3 0.0(8) no . .
P43 C9 C10 C11 -175.6(3) no . .
P43 C9 C14 C13 175.4(3) no . .
C10 C9 C14 C13 -0.0(6) no . .
C14 C9 C10 C11 0.0(5) no . .
C9 C10 C11 C12 -0.0(5) no . .
C10 C11 C12 F44 -178.7(3) no . .
C10 C11 C12 C13 0.0(5) no . .
F44 C12 C13 C14 178.5(7) no . .
C11 C12 C13 C14 -0.0(6) no . .
C12 C13 C14 C9 0.0(6) no . .
P43 C15 C16 C17 -171.3(3) no . .
P43 C15 C20 C19 171.5(3) no . .
C16 C15 C20 C19 0.0(6) no . .
C20 C15 C16 C17 0.0(6) no . .
C15 C16 C17 C18 -0.1(7) no . .
C16 C17 C18 F45 -176.2(4) no . .
C16 C17 C18 C19 0.1(8) no . .
F45 C18 C19 C20 176.3(7) no . .
C17 C18 C19 C20 -0.0(8) no . .
C18 C19 C20 C15 -0.0(7) no . .
P46 C21 C22 C23 177.4(3) no . .
P46 C21 C26 C25 -177.2(3) no . .
C22 C21 C26 C25 0.0(6) no . .
C26 C21 C22 C23 -0.0(6) no . .
C21 C22 C23 C24 0.0(7) no . .
C22 C23 C24 F42 178.5(4) no . .
C22 C23 C24 C25 -0.0(7) no . .
F42 C24 C25 C26 -178.6(7) no . .
C23 C24 C25 C26 0.0(8) no . .
C24 C25 C26 C21 -0.0(7) no . .
P46 C27 C28 C29 177.2(3) no . .
P46 C27 C32 C31 -177.3(3) no . .
C28 C27 C32 C31 -0.0(6) no . .
C32 C27 C28 C29 0.0(5) no . .
C27 C28 C29 C30 -0.0(5) no . .
C28 C29 C30 F39 177.5(3) no . .
C28 C29 C30 C31 0.0(5) no . .
F39 C30 C31 C32 -177.4(6) no . .
C29 C30 C31 C32 0.0(6) no . .
C30 C31 C32 C27 0.0(6) no . .
P46 C33 C34 C35 -172.8(3) no . .
P46 C33 C38 C37 172.6(3) no . .
C34 C33 C38 C37 0.0(5) no . .
C38 C33 C34 C35 -0.0(5) no . .
C33 C34 C35 C36 -0.0(6) no . .
C34 C35 C36 F41 -177.3(3) no . .
C34 C35 C36 C37 0.0(6) no . .
F41 C36 C37 C38 177.3(6) no . .
C35 C36 C37 C38 -0.0(6) no . .
C36 C37 C38 C33 0.0(6) no . .
C48 C49 C50 C51 176.2(13) no . 3_675
C48 C49 C50 C58 -3(2) no . .
C48 C49 C51 C50 -176.2(12) no . 3_675
C48 C49 C51 C59 -1(2) no . .
C50 C49 C51 C50 2(2) no . 3_675
C50 C49 C51 C59 177.6(12) no . .
C51 C49 C50 C51 -2(2) no . 3_675
C51 C49 C50 C58 178.5(12) no . .
C49 C50 C51 C49 2(2) no 3_675 3_675
C49 C50 C51 C59 177.5(12) no 3_675 3_675
C58 C50 C51 C49 -178.6(13) no 3_675 3_675
C58 C50 C51 C59 -3(2) no 3_675 3_675
C53 C54 C55 C56 -1(2) no . .
C53 C54 C55 C57 179.9(14) no . 7_555
C53 C54 C57 C55 -179.9(13) no . 7_555
C53 C54 C57 C60 5(2) no . .
C55 C54 C57 C55 -2(2) no . 7_555
C55 C54 C57 C60 -177.2(14) no . .
C57 C54 C55 C56 -178.4(13) no . .
C57 C54 C55 C57 2(2) no . 7_555
C54 C55 C57 C54 -2(2) no 7_555 7_555
C54 C55 C57 C60 -177.2(14) no 7_555 7_555
C56 C55 C57 C54 178.4(13) no 7_555 7_555
C56 C55 C57 C60 3(2) no 7_555 7_555
