#------------------------------------------------------------------------------
#$Date: 2019-11-25 22:23:22 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/18/4131821.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_4131821
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                 97.0338(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   31.368(3)
_cell_length_b                   14.5952(10)
_cell_length_c                   19.2014(14)
_cell_measurement_reflns_used    28426
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.06
_cell_volume                     8724.7(12)
_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      273
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_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  0.1258
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_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            65971
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         3.057
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.876
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4624.00
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.201
_exptl_crystal_size_min          0.071
_refine_diff_density_max         1.62
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9905
_refine_ls_number_restraints     404
_refine_ls_R_factor_all          0.1511
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0890P)²+13.3436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1959
_reflns_number_gt                4681
_reflns_number_total             9905
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja7b11316_si_002.cif
_cod_data_source_block           2-273K
_cod_original_cell_volume        8724.6(11)
_cod_database_code               4131821
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 0.44478(2) 0.78172(3) 0.23750(2) 0.07468(19) Uani 1 1 d . .
Au2 Au 0.21191(2) 0.63290(3) 0.08489(3) 0.0869(2) Uani 1 1 d . .
P3 P 0.41961(10) 0.7166(2) 0.33201(14) 0.0677(8) Uani 1 1 d . .
P4 P 0.19780(12) 0.7783(2) 0.11617(16) 0.0805(9) Uani 1 1 d . .
F41 F 0.4054(3) 0.9517(7) 0.5772(5) 0.144(3) Uani 1 1 d . U
F42 F 0.5084(3) 0.3725(6) 0.4220(6) 0.147(3) Uani 1 1 d . U
F43 F 0.2385(3) 0.6079(7) 0.2604(5) 0.124(2) Uani 1 1 d . U
F44 F 0.1136(3) 0.9991(7) -0.1166(4) 0.132(2) Uani 1 1 d . U
F45 F 0.0632(3) 0.7945(7) 0.3040(5) 0.141(3) Uani 1 1 d . U
F46 F 0.3577(3) 0.9622(6) 0.2345(4) 0.125(2) Uani 1 1 d . U
C5 C 0.41884(10) 0.7885(2) 0.40760(18) 0.111(2) Uani 1 1 d G U
C6 C 0.39911(10) 0.8735(2) 0.3972(2) 0.115(2) Uani 1 1 d G U
H6 H 0.3888 0.8927 0.3521 0.139 Uiso 1 1 calc R U
C7 C 0.39475(12) 0.9298(3) 0.4543(2) 0.121(2) Uani 1 1 d G U
H7 H 0.3815 0.9867 0.4474 0.146 Uiso 1 1 calc R U
C8 C 0.41011(13) 0.9011(3) 0.5217(2) 0.122(2) Uani 1 1 d G U
C9 C 0.42985(12) 0.8161(3) 0.53212(19) 0.119(2) Uani 1 1 d G U
H9 H 0.4401 0.7969 0.5772 0.143 Uiso 1 1 calc R U
C10 C 0.43421(11) 0.7598(3) 0.47504(18) 0.114(2) Uani 1 1 d G U
H10 H 0.4474 0.7029 0.4820 0.137 Uiso 1 1 calc R U
C11 C 0.44681(10) 0.6128(3) 0.3636(2) 0.103(2) Uani 1 1 d G U
C12 C 0.48739(10) 0.5958(3) 0.3444(2) 0.109(2) Uani 1 1 d G U
H12 H 0.5005 0.6390 0.3184 0.131 Uiso 1 1 calc R U
C13 C 0.50839(12) 0.5142(3) 0.3639(3) 0.116(2) Uani 1 1 d G U
H13 H 0.5355 0.5028 0.3511 0.139 Uiso 1 1 calc R U
C14 C 0.48881(14) 0.4496(3) 0.4027(3) 0.118(2) Uani 1 1 d G U
C15 C 0.44823(13) 0.4666(3) 0.4219(2) 0.112(2) Uani 1 1 d G U
H15 H 0.4351 0.4234 0.4479 0.135 Uiso 1 1 calc R U
C16 C 0.42723(11) 0.5482(2) 0.4023(2) 0.105(2) Uani 1 1 d G U
H16 H 0.4001 0.5596 0.4152 0.126 Uiso 1 1 calc R U
C17 C 0.36449(9) 0.6818(2) 0.31354(15) 0.0875(19) Uani 1 1 d G U
C18 C 0.33563(9) 0.6899(2) 0.36266(14) 0.0896(18) Uani 1 1 d G U
H18 H 0.3448 0.7127 0.4072 0.108 Uiso 1 1 calc R U
C19 C 0.29303(9) 0.6640(2) 0.34519(15) 0.0950(18) Uani 1 1 d G U
H19 H 0.2737 0.6694 0.3781 0.114 Uiso 1 1 calc R U
C20 C 0.27928(10) 0.62994(19) 0.27861(16) 0.0987(18) Uani 1 1 d G U
C21 C 0.30814(10) 0.62185(18) 0.22951(16) 0.0978(19) Uani 1 1 d G U
H21 H 0.2989 0.5991 0.1850 0.117 Uiso 1 1 calc R U
C22 C 0.35075(10) 0.6478(2) 0.24696(15) 0.0921(18) Uani 1 1 d G U
H22 H 0.3701 0.6424 0.2141 0.111 Uiso 1 1 calc R U
C23 C 0.17457(10) 0.8465(3) 0.04373(15) 0.093(2) Uani 1 1 d G U
C24 C 0.14539(11) 0.8042(3) -0.00646(16) 0.097(2) Uani 1 1 d G U
H24 H 0.1400 0.7418 -0.0033 0.117 Uiso 1 1 calc R U
C25 C 0.12422(12) 0.8552(4) -0.06129(17) 0.102(2) Uani 1 1 d G U
H25 H 0.1047 0.8269 -0.0949 0.123 Uiso 1 1 calc R U
C26 C 0.13223(13) 0.9485(4) -0.06594(18) 0.1043(19) Uani 1 1 d G U
C27 C 0.16141(13) 0.9909(3) -0.0158(2) 0.101(2) Uani 1 1 d G U
H27 H 0.1668 1.0533 -0.0189 0.121 Uiso 1 1 calc R U
C28 C 0.18257(11) 0.9399(3) 0.03908(17) 0.095(2) Uani 1 1 d G U
H28 H 0.2021 0.9682 0.0727 0.114 Uiso 1 1 calc R U
C29 C 0.24570(9) 0.8352(2) 0.15372(13) 0.104(2) Uani 1 1 d G U
C30 C 0.25064(9) 0.8665(2) 0.22263(14) 0.106(2) Uani 1 1 d G U
H30 H 0.2286 0.8586 0.2503 0.127 Uiso 1 1 calc R U
C31 C 0.28852(10) 0.90952(18) 0.25011(17) 0.110(2) Uani 1 1 d G U
H31 H 0.2918 0.9304 0.2962 0.132 Uiso 1 1 calc R U
C32 C 0.32149(10) 0.9213(2) 0.20870(18) 0.110(2) Uani 1 1 d G U
C33 C 0.31656(10) 0.8900(2) 0.13981(17) 0.110(2) Uani 1 1 d G U
H33 H 0.3386 0.8979 0.1121 0.132 Uiso 1 1 calc R U
C34 C 0.27867(10) 0.8470(2) 0.11231(14) 0.107(2) Uani 1 1 d G U
H34 H 0.2754 0.8261 0.0662 0.128 Uiso 1 1 calc R U
C35 C 0.15963(9) 0.7845(3) 0.17857(16) 0.106(2) Uani 1 1 d G U
C36 C 0.14182(9) 0.8685(3) 0.19339(17) 0.110(2) Uani 1 1 d G U
H36 H 0.1517 0.9220 0.1746 0.133 Uiso 1 1 calc R U
C37 C 0.10921(9) 0.8723(4) 0.23627(19) 0.116(2) Uani 1 1 d G U
H37 H 0.0973 0.9284 0.2462 0.139 Uiso 1 1 calc R U
C38 C 0.09446(9) 0.7922(4) 0.2643(2) 0.118(2) Uani 1 1 d G U
C39 C 0.11226(9) 0.7083(4) 0.2495(2) 0.113(2) Uani 1 1 d G U
H39 H 0.1024 0.6547 0.2683 0.135 Uiso 1 1 calc R U
C40 C 0.14485(9) 0.7045(3) 0.20663(19) 0.107(2) Uani 1 1 d G U
H40 H 0.1568 0.6483 0.1967 0.129 Uiso 1 1 calc R U
C47 C 0.4624(4) 0.8417(9) 0.1521(6) 0.082(2) Uani 1 1 d . U
C48 C 0.4738(4) 0.8831(8) 0.1046(6) 0.081(2) Uani 1 1 d . U
C49 C 0.4868(4) 0.9414(8) 0.0508(6) 0.0799(19) Uani 1 1 d . U
C50 C 0.5109(4) 1.0210(9) 0.0714(6) 0.080(2) Uani 1 1 d . U
C51 C 0.5228(4) 1.0790(8) 0.0197(6) 0.079(2) Uani 1 1 d . U
C52 C 0.5214(5) 1.0422(12) 0.1474(7) 0.119(5) Uani 1 1 d . .
H52A H 0.5106 0.9943 0.1747 0.143 Uiso 1 1 calc R U
H52B H 0.5520 1.0465 0.1588 0.143 Uiso 1 1 calc R U
H52C H 0.5084 1.0994 0.1577 0.143 Uiso 1 1 calc R U
C53 C 0.5486(5) 1.1643(10) 0.0394(8) 0.110(5) Uani 1 1 d . .
H53A H 0.5540 1.1961 -0.0024 0.131 Uiso 1 1 calc R U
H53B H 0.5329 1.2034 0.0673 0.131 Uiso 1 1 calc R U
H53C H 0.5755 1.1476 0.0659 0.131 Uiso 1 1 calc R U
C54 C 0.2250(4) 0.5094(9) 0.0598(6) 0.084(2) Uani 1 1 d . U
C55 C 0.2324(4) 0.4321(9) 0.0419(6) 0.0815(19) Uani 1 1 d . U
C56 C 0.2415(4) 0.3398(8) 0.0201(6) 0.0794(19) Uani 1 1 d . U
C57 C 0.2750(4) 0.2879(8) 0.0579(6) 0.0788(19) Uani 1 1 d . U
C58 C 0.2829(4) 0.1978(8) 0.0384(6) 0.078(2) Uani 1 1 d . U
C59 C 0.3019(5) 0.3274(10) 0.1222(7) 0.107(5) Uani 1 1 d . .
H59A H 0.2931 0.3893 0.1294 0.128 Uiso 1 1 calc R U
H59B H 0.2980 0.2912 0.1626 0.128 Uiso 1 1 calc R U
H59C H 0.3317 0.3266 0.1151 0.128 Uiso 1 1 calc R U
C60 C 0.3168(4) 0.1424(9) 0.0790(7) 0.097(4) Uani 1 1 d . .
H60A H 0.3177 0.0827 0.0582 0.117 Uiso 1 1 calc R U
H60B H 0.3441 0.1720 0.0786 0.117 Uiso 1 1 calc R U
H60C H 0.3105 0.1365 0.1265 0.117 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
_geom_angle_site_symmetry_3
C47 Au1 P3 175.7(4) . .
C54 Au2 P4 178.7(4) . .
C5 P3 C17 102.5(2) . .
C5 P3 C11 105.8(2) . .
C17 P3 C11 103.5(2) . .
C5 P3 Au1 116.21(19) . .
C17 P3 Au1 112.37(17) . .
C11 P3 Au1 114.98(19) . .
C29 P4 C35 107.6(2) . .
C29 P4 C23 107.2(3) . .
C35 P4 C23 104.4(2) . .
C29 P4 Au2 111.1(2) . .
C35 P4 Au2 113.1(2) . .
C23 P4 Au2 112.9(2) . .
C10 C5 C6 120.0 . .
C10 C5 P3 122.69(14) . .
C6 C5 P3 117.13(14) . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 120.0 . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
F41 C8 C7 121.6(6) . .
F41 C8 C9 118.4(6) . .
C7 C8 C9 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C5 C10 C9 120.0 . .
C5 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C16 C11 C12 120.0 . .
C16 C11 P3 121.79(14) . .
C12 C11 P3 118.09(14) . .
C11 C12 C13 120.0 . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
F42 C14 C15 119.3(5) . .
F42 C14 C13 120.7(5) . .
C15 C14 C13 120.0 . .
C14 C15 C16 120.0 . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C11 C16 C15 120.0 . .
C11 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C22 C17 C18 120.0 . .
C22 C17 P3 117.74(14) . .
C18 C17 P3 122.24(14) . .
C19 C18 C17 120.0 . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
F43 C20 C21 119.2(4) . .
F43 C20 C19 120.8(4) . .
C21 C20 C19 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 . .
C24 C23 C28 120.0 . .
C24 C23 P4 117.50(16) . .
C28 C23 P4 122.36(15) . .
C25 C24 C23 120.0 . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
F44 C26 C27 117.6(5) . .
F44 C26 C25 122.4(5) . .
C27 C26 C25 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 118.27(14) . .
C30 C29 P4 121.74(14) . .
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 119.7(4) . .
F46 C32 C31 120.4(4) . .
C33 C32 C31 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C29 120.0 . .
C33 C34 H34 120.0 . .
C29 C34 H34 120.0 . .
C40 C35 C36 120.0 . .
C40 C35 P4 119.79(15) . .
C36 C35 P4 119.90(15) . .
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 . .
F45 C38 C37 120.7(5) . .
F45 C38 C39 119.2(5) . .
C37 C38 C39 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C35 C40 C39 120.0 . .
C35 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C48 C47 Au1 174.8(12) . .
C47 C48 C49 174.4(14) . .
C51 C49 C50 119.7(10) 5_675 .
C51 C49 C48 122.0(12) 5_675 .
C50 C49 C48 118.3(11) . .
C51 C50 C49 118.7(11) . .
C51 C50 C52 121.8(12) . .
C49 C50 C52 119.5(11) . .
C50 C51 C49 121.5(11) . 5_675
C50 C51 C53 120.4(12) . .
C49 C51 C53 118.0(11) 5_675 .
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 177.8(12) . .
C54 C55 C56 179.5(15) . .
C58 C56 C55 119.4(12) 7 .
C58 C56 C57 120.1(11) 7 .
C55 C56 C57 120.5(11) . .
C58 C57 C56 120.7(11) . .
C58 C57 C59 118.3(12) . .
C56 C57 C59 120.9(12) . .
C57 C58 C56 119.2(12) . 7
C57 C58 C60 120.9(11) . .
C56 C58 C60 119.9(12) 7 .
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 1.996(11) .
Au1 P3 2.274(3) .
Au2 C54 1.923(13) .
Au2 P4 2.264(3) .
P3 C5 1.793(5) .
P3 C17 1.795(4) .
P3 C11 1.807(4) .
P4 C29 1.790(5) .
P4 C35 1.797(5) .
P4 C23 1.792(4) .
F41 C8 1.319(9) .
F42 C14 1.314(9) .
F43 C20 1.323(8) .
F44 C26 1.300(8) .
F45 C38 1.313(9) .
F46 C32 1.325(9) .
C5 C10 1.3898 .
C5 C6 1.3899 .
C6 C7 1.3901 .
C6 H6 0.9300 .
C7 C8 1.3898 .
C7 H7 0.9300 .
C8 C9 1.3900 .
C9 C10 1.3901 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C16 1.3901 .
C11 C12 1.3901 .
C12 C13 1.3901 .
C12 H12 0.9300 .
C13 C14 1.3902 .
C13 H13 0.9300 .
C14 C15 1.3901 .
C15 C16 1.3901 .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C22 1.3898 .
C17 C18 1.3901 .
C18 C19 1.3899 .
C18 H18 0.9300 .
C19 C20 1.3901 .
C19 H19 0.9300 .
C20 C21 1.3898 .
C21 C22 1.3902 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3899 .
C24 H24 0.9300 .
C25 C26 1.3901 .
C25 H25 0.9300 .
C26 C27 1.3901 .
C27 C28 1.3899 .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C34 1.3902 .
C29 C30 1.3902 .
C30 C31 1.3896 .
C30 H30 0.9300 .
C31 C32 1.3902 .
C31 H31 0.9300 .
C32 C33 1.3898 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C40 1.3900 .
C35 C36 1.3900 .
C36 C37 1.3905 .
C36 H36 0.9300 .
C37 C38 1.3898 .
C37 H37 0.9300 .
C38 C39 1.3899 .
C39 C40 1.3901 .
C39 H39 0.9300 .
C40 H40 0.9300 .
C47 C48 1.185(15) .
C48 C49 1.435(15) .
C49 C51 1.383(16) 5_675
C49 C50 1.416(16) .
C50 C51 1.390(15) .
C50 C52 1.488(17) .
C51 C49 1.383(16) 5_675
C51 C53 1.508(18) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 C55 1.210(16) .
C55 C56 1.450(16) .
C56 C58 1.392(16) 7
C56 C57 1.420(17) .
C57 C58 1.398(16) .
C57 C59 1.522(17) .
C58 C56 1.392(16) 7
C58 C60 1.479(16) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
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 103.89(17) . .
C11 P3 C5 C10 -4.2(3) . .
Au1 P3 C5 C10 -133.14(11) . .
C17 P3 C5 C6 -71.5(2) . .
C11 P3 C5 C6 -179.58(11) . .
Au1 P3 C5 C6 51.5(2) . .
C10 C5 C6 C7 0.0 . .
P3 C5 C6 C7 175.48(15) . .
C5 C6 C7 C8 0.0 . .
C6 C7 C8 F41 -178.0(6) . .
C6 C7 C8 C9 0.0 . .
F41 C8 C9 C10 178.1(5) . .
C7 C8 C9 C10 0.0 . .
C6 C5 C10 C9 0.0 . .
P3 C5 C10 C9 -175.24(16) . .
C8 C9 C10 C5 0.0 . .
C5 P3 C11 C16 73.6(2) . .
C17 P3 C11 C16 -33.8(3) . .
Au1 P3 C11 C16 -156.74(11) . .
C5 P3 C11 C12 -110.30(17) . .
C17 P3 C11 C12 142.26(13) . .
Au1 P3 C11 C12 19.3(2) . .
C16 C11 C12 C13 0.0 . .
P3 C11 C12 C13 -176.15(16) . .
C11 C12 C13 C14 0.0 . .
C12 C13 C14 F42 -179.5(6) . .
C12 C13 C14 C15 0.0 . .
F42 C14 C15 C16 179.5(6) . .
C13 C14 C15 C16 0.0 . .
C12 C11 C16 C15 0.0 . .
P3 C11 C16 C15 176.00(17) . .
C14 C15 C16 C11 0.0 . .
C5 P3 C17 C22 161.43(10) . .
C11 P3 C17 C22 -88.71(19) . .
Au1 P3 C17 C22 35.9(2) . .
C5 P3 C17 C18 -17.1(3) . .
C11 P3 C17 C18 92.8(2) . .
Au1 P3 C17 C18 -142.62(11) . .
C22 C17 C18 C19 0.0 . .
P3 C17 C18 C19 178.50(16) . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 F43 -177.7(5) . .
C18 C19 C20 C21 0.0 . .
F43 C20 C21 C22 177.7(5) . .
C19 C20 C21 C22 0.0 . .
C18 C17 C22 C21 0.0 . .
P3 C17 C22 C21 -178.57(16) . .
C20 C21 C22 C17 0.0 . .
C29 P4 C23 C24 160.38(13) . .
C35 P4 C23 C24 -85.6(2) . .
Au2 P4 C23 C24 37.7(2) . .
C29 P4 C23 C28 -24.0(3) . .
C35 P4 C23 C28 90.0(2) . .
Au2 P4 C23 C28 -146.72(13) . .
C28 C23 C24 C25 0.0 . .
P4 C23 C24 C25 175.73(17) . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 F44 179.2(6) . .
C24 C25 C26 C27 0.0 . .
F44 C26 C27 C28 -179.3(6) . .
C25 C26 C27 C28 0.0 . .
C26 C27 C28 C23 0.0 . .
C24 C23 C28 C27 0.0 . .
P4 C23 C28 C27 -175.53(18) . .
C35 P4 C29 C34 -173.99(12) . .
C23 P4 C29 C34 -62.2(2) . .
Au2 P4 C29 C34 61.67(19) . .
C35 P4 C29 C30 6.7(3) . .
C23 P4 C29 C30 118.53(17) . .
Au2 P4 C29 C30 -117.63(14) . .
C34 C29 C30 C31 0.0 . .
P4 C29 C30 C31 179.31(17) . .
C29 C30 C31 C32 0.0 . .
C30 C31 C32 F46 -180.0(5) . .
C30 C31 C32 C33 0.0 . .
F46 C32 C33 C34 180.0(5) . .
C31 C32 C33 C34 0.0 . .
C32 C33 C34 C29 0.0 . .
C30 C29 C34 C33 0.0 . .
P4 C29 C34 C33 -179.32(17) . .
C29 P4 C35 C40 -117.91(18) . .
C23 P4 C35 C40 128.35(16) . .
Au2 P4 C35 C40 5.2(2) . .
C29 P4 C35 C36 68.4(2) . .
C23 P4 C35 C36 -45.3(3) . .
Au2 P4 C35 C36 -168.45(9) . .
C40 C35 C36 C37 0.0 . .
P4 C35 C36 C37 173.65(17) . .
C35 C36 C37 C38 0.1 . .
C36 C37 C38 F45 -178.8(6) . .
C36 C37 C38 C39 -0.1 . .
F45 C38 C39 C40 178.8(6) . .
C37 C38 C39 C40 0.0 . .
C36 C35 C40 C39 0.0 . .
P4 C35 C40 C39 -173.68(16) . .
C38 C39 C40 C35 0.0 . .
C51 C49 C50 C51 3(2) 5_675 .
C48 C49 C50 C51 -178.4(11) . .
C51 C49 C50 C52 -179.5(13) 5_675 .
C48 C49 C50 C52 -0.6(19) . .
C49 C50 C51 C49 -3(2) . 5_675
C52 C50 C51 C49 179.5(13) . 5_675
C49 C50 C51 C53 -179.6(12) . .
C52 C50 C51 C53 3(2) . .
C58 C56 C57 C58 -2.1(19) 7 .
C55 C56 C57 C58 177.8(11) . .
C58 C56 C57 C59 -179.6(12) 7 .
C55 C56 C57 C59 0.3(18) . .
C56 C57 C58 C56 2.0(19) . 7
C59 C57 C58 C56 179.6(12) . 7
C56 C57 C58 C60 -177.9(12) . .
C59 C57 C58 C60 -0.3(18) . .
