#------------------------------------------------------------------------------
#$Date: 2019-11-25 22:23:22 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/18/4131822.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_4131822
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                 96.824(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   31.414(3)
_cell_length_b                   14.5653(13)
_cell_length_c                   19.2042(17)
_cell_measurement_reflns_used    25689
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.06
_cell_volume                     8724.7(14)
_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      298
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1332
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_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            66790
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.994
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.875
_exptl_absorpt_correction_T_max  0.618
_exptl_absorpt_correction_T_min  0.213
_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          0.206
_exptl_crystal_size_mid          0.195
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.53
_refine_diff_density_min         -1.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9979
_refine_ls_number_restraints     404
_refine_ls_R_factor_all          0.1603
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0995P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1608
_refine_ls_wR_factor_ref         0.2038
_reflns_number_gt                4452
_reflns_number_total             9979
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja7b11316_si_002.cif
_cod_data_source_block           2-298K
_cod_original_cell_volume        8724.8(14)
_cod_database_code               4131822
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 0.05526(2) 0.28201(3) 0.26256(2) 0.0796(2) Uani 1 1 d . .
Au2 Au 0.28793(2) 0.13250(4) 0.41504(3) 0.0925(2) Uani 1 1 d . .
P3 P 0.08052(11) 0.2166(2) 0.16835(15) 0.0731(8) Uani 1 1 d . .
P4 P 0.30206(13) 0.2778(2) 0.38350(17) 0.0862(10) Uani 1 1 d . .
F41 F -0.0091(3) -0.1259(6) 0.0775(6) 0.157(3) Uani 1 1 d . U
F42 F 0.0947(3) 0.4517(7) -0.0769(5) 0.153(3) Uani 1 1 d . U
F43 F 0.2609(3) 0.1089(7) 0.2387(5) 0.132(2) Uani 1 1 d . U
F44 F 0.4367(3) 0.2921(7) 0.1959(5) 0.151(3) Uani 1 1 d . U
F45 F 0.3864(3) 0.4980(7) 0.6157(4) 0.139(3) Uani 1 1 d . U
F46 F 0.1422(3) 0.4629(6) 0.2655(5) 0.132(2) Uani 1 1 d . U
C5 C 0.05285(10) 0.1128(3) 0.1359(2) 0.112(2) Uani 1 1 d G U
C6 C 0.07310(12) 0.0469(3) 0.0991(2) 0.115(2) Uani 1 1 d G U
H6 H 0.1005 0.0578 0.0870 0.138 Uiso 1 1 calc R U
C7 C 0.05243(14) -0.0354(3) 0.0803(3) 0.123(2) Uani 1 1 d G U
H7 H 0.0660 -0.0795 0.0556 0.148 Uiso 1 1 calc R U
C8 C 0.01153(14) -0.0518(3) 0.0982(3) 0.128(2) Uani 1 1 d G U
C9 C -0.00870(13) 0.0142(4) 0.1350(3) 0.125(2) Uani 1 1 d G U
H9 H -0.0361 0.0032 0.1471 0.150 Uiso 1 1 calc R U
C10 C 0.01197(11) 0.0964(3) 0.1538(2) 0.118(2) Uani 1 1 d G U
H10 H -0.0016 0.1405 0.1785 0.141 Uiso 1 1 calc R U
C11 C 0.08123(10) 0.2884(3) 0.09210(19) 0.122(2) Uani 1 1 d G U
C12 C 0.06631(11) 0.2609(3) 0.02428(19) 0.124(2) Uani 1 1 d G U
H12 H 0.0533 0.2038 0.0166 0.149 Uiso 1 1 calc R U
C13 C 0.07087(13) 0.3185(4) -0.03203(19) 0.129(2) Uani 1 1 d G U
H13 H 0.0609 0.3001 -0.0774 0.155 Uiso 1 1 calc R U
C14 C 0.09036(14) 0.4037(3) -0.0205(2) 0.133(2) Uani 1 1 d G U
C15 C 0.10527(13) 0.4313(3) 0.0473(2) 0.132(2) Uani 1 1 d G U
H15 H 0.1183 0.4883 0.0550 0.158 Uiso 1 1 calc R U
C16 C 0.10071(11) 0.3736(2) 0.1036(2) 0.127(2) Uani 1 1 d G U
H16 H 0.1107 0.3920 0.1490 0.152 Uiso 1 1 calc R U
C17 C 0.13507(9) 0.1818(2) 0.18653(16) 0.0932(19) Uani 1 1 d G U
C18 C 0.16365(10) 0.1889(2) 0.13683(15) 0.0951(19) Uani 1 1 d G U
H18 H 0.1543 0.2111 0.0922 0.114 Uiso 1 1 calc R U
C19 C 0.20618(10) 0.1628(2) 0.15381(15) 0.1008(19) Uani 1 1 d G U
H19 H 0.2253 0.1676 0.1205 0.121 Uiso 1 1 calc R U
C20 C 0.22013(10) 0.1296(2) 0.22049(16) 0.1050(18) Uani 1 1 d G U
C21 C 0.19153(11) 0.12254(19) 0.27020(16) 0.1036(19) Uani 1 1 d G U
H21 H 0.2009 0.1003 0.3148 0.124 Uiso 1 1 calc R U
C22 C 0.14901(10) 0.1486(2) 0.25321(16) 0.0979(19) Uani 1 1 d G U
H22 H 0.1299 0.1439 0.2865 0.118 Uiso 1 1 calc R U
C23 C 0.25485(9) 0.3359(2) 0.34685(14) 0.108(2) Uani 1 1 d G U
C24 C 0.22200(10) 0.3479(2) 0.38853(15) 0.111(2) Uani 1 1 d G U
H24 H 0.2254 0.3275 0.4348 0.133 Uiso 1 1 calc R U
C25 C 0.18401(10) 0.3901(2) 0.36110(18) 0.115(2) Uani 1 1 d G U
H25 H 0.1620 0.3981 0.3890 0.137 Uiso 1 1 calc R U
C26 C 0.17886(10) 0.4205(2) 0.29198(19) 0.116(2) Uani 1 1 d G U
C27 C 0.21171(10) 0.40856(19) 0.25031(17) 0.115(2) Uani 1 1 d G U
H27 H 0.2083 0.4289 0.2041 0.138 Uiso 1 1 calc R U
C28 C 0.24971(9) 0.3663(2) 0.27775(15) 0.111(2) Uani 1 1 d G U
H28 H 0.2717 0.3583 0.2499 0.133 Uiso 1 1 calc R U
C29 C 0.32520(11) 0.3453(3) 0.45650(15) 0.101(2) Uani 1 1 d G U
C30 C 0.31665(12) 0.4385(3) 0.46163(18) 0.103(2) Uani 1 1 d G U
H30 H 0.2965 0.4664 0.4289 0.124 Uiso 1 1 calc R U
C31 C 0.33817(13) 0.4901(3) 0.5157(2) 0.108(2) Uani 1 1 d G U
H31 H 0.3325 0.5525 0.5191 0.129 Uiso 1 1 calc R U
C32 C 0.36824(13) 0.4484(4) 0.56460(19) 0.111(2) Uani 1 1 d G U
C33 C 0.37679(13) 0.3552(4) 0.55949(17) 0.109(2) Uani 1 1 d G U
H33 H 0.3969 0.3273 0.5922 0.130 Uiso 1 1 calc R U
C34 C 0.35527(12) 0.3036(3) 0.50544(16) 0.104(2) Uani 1 1 d G U
H34 H 0.3610 0.2412 0.5020 0.125 Uiso 1 1 calc R U
C35 C 0.34023(9) 0.2833(3) 0.32231(16) 0.113(2) Uani 1 1 d G U
C36 C 0.35451(9) 0.2028(3) 0.29387(19) 0.114(2) Uani 1 1 d G U
H36 H 0.3425 0.1468 0.3041 0.137 Uiso 1 1 calc R U
C37 C 0.38669(9) 0.2062(4) 0.2501(2) 0.120(2) Uani 1 1 d G U
H37 H 0.3962 0.1523 0.2311 0.144 Uiso 1 1 calc R U
C38 C 0.40458(9) 0.2900(4) 0.2348(2) 0.125(2) Uani 1 1 d G U
C39 C 0.39030(9) 0.3705(4) 0.26326(19) 0.122(2) Uani 1 1 d G U
H39 H 0.4023 0.4265 0.2530 0.146 Uiso 1 1 calc R U
C40 C 0.35813(9) 0.3671(3) 0.30701(17) 0.116(2) Uani 1 1 d G U
H40 H 0.3486 0.4210 0.3260 0.140 Uiso 1 1 calc R U
C47 C 0.0371(4) 0.3418(9) 0.3465(6) 0.086(2) Uani 1 1 d . U
C48 C 0.0263(4) 0.3853(9) 0.3948(6) 0.084(2) Uani 1 1 d . U
C49 C 0.0128(4) 0.4420(9) 0.4495(6) 0.0824(19) Uani 1 1 d . U
C50 C 0.0226(4) 0.4197(8) 0.5191(6) 0.082(2) Uani 1 1 d . U
C51 C 0.0109(4) 0.4790(9) 0.5712(6) 0.082(2) Uani 1 1 d . U
C52 C 0.0212(6) 0.4565(11) 0.6477(7) 0.123(5) Uani 1 1 d . .
H52A H 0.0108 0.5046 0.6753 0.148 Uiso 1 1 calc R U
H52B H 0.0077 0.3996 0.6576 0.148 Uiso 1 1 calc R U
H52C H 0.0517 0.4508 0.6590 0.148 Uiso 1 1 calc R U
C53 C 0.0490(5) 0.3349(10) 0.5393(8) 0.115(5) Uani 1 1 d . .
H53A H 0.0530 0.3290 0.5895 0.138 Uiso 1 1 calc R U
H53B H 0.0342 0.2817 0.5191 0.138 Uiso 1 1 calc R U
H53C H 0.0764 0.3401 0.5222 0.138 Uiso 1 1 calc R U
C54 C 0.2746(4) 0.0084(9) 0.4393(7) 0.090(2) Uani 1 1 d . U
C55 C 0.2676(4) -0.0670(9) 0.4586(6) 0.088(2) Uani 1 1 d . U
C56 C 0.2582(4) -0.1610(9) 0.4792(6) 0.085(2) Uani 1 1 d . U
C57 C 0.2833(4) -0.1984(8) 0.5381(6) 0.083(2) Uani 1 1 d . U
C58 C 0.2752(4) -0.2880(8) 0.5585(6) 0.082(2) Uani 1 1 d . U
C59 C 0.3161(5) -0.1416(9) 0.5778(8) 0.107(5) Uani 1 1 d . .
H59A H 0.3170 -0.0826 0.5558 0.128 Uiso 1 1 calc R U
H59B H 0.3092 -0.1341 0.6248 0.128 Uiso 1 1 calc R U
H59C H 0.3435 -0.1709 0.5788 0.128 Uiso 1 1 calc R U
C60 C 0.3018(5) -0.3269(11) 0.6225(7) 0.117(5) Uani 1 1 d . .
H60A H 0.2928 -0.3886 0.6304 0.140 Uiso 1 1 calc R U
H60B H 0.3315 -0.3269 0.6150 0.140 Uiso 1 1 calc R U
H60C H 0.2981 -0.2898 0.6626 0.140 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 176.3(4) . .
C54 Au2 P4 178.2(4) . .
C17 P3 C11 102.7(2) . .
C17 P3 C5 103.9(2) . .
C11 P3 C5 104.8(2) . .
C17 P3 Au1 112.48(18) . .
C11 P3 Au1 116.34(19) . .
C5 P3 Au1 115.1(2) . .
C23 P4 C35 108.3(2) . .
C23 P4 C29 106.9(3) . .
C35 P4 C29 104.4(2) . .
C23 P4 Au2 111.8(2) . .
C35 P4 Au2 112.9(2) . .
C29 P4 Au2 112.2(2) . .
C10 C5 C6 120.0 . .
C10 C5 P3 118.40(14) . .
C6 C5 P3 121.36(14) . .
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 120.6(6) . .
F41 C8 C9 119.3(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 123.98(14) . .
C16 C11 P3 115.88(14) . .
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 C13 115.6(6) . .
F42 C14 C15 124.4(6) . .
C13 C14 C15 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 . .
C18 C17 C22 120.0 . .
C18 C17 P3 121.96(15) . .
C22 C17 P3 118.02(15) . .
C17 C18 C19 120.0 . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C20 C19 C18 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
F43 C20 C19 120.8(4) . .
F43 C20 C21 119.1(4) . .
C19 C20 C21 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C17 120.0 . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C24 C23 C28 120.0 . .
C24 C23 P4 118.22(14) . .
C28 C23 P4 121.73(14) . .
C23 C24 C25 120.0 . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
F46 C26 C27 119.8(4) . .
F46 C26 C25 120.2(4) . .
C27 C26 C25 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C23 C28 C27 120.0 . .
C23 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C34 C29 C30 120.0 . .
C34 C29 P4 117.98(16) . .
C30 C29 P4 121.78(16) . .
C31 C30 C29 120.0 . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C32 C31 C30 120.0 . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
F45 C32 C31 118.1(5) . .
F45 C32 C33 121.8(5) . .
C31 C32 C33 120.0 . .
C34 C33 C32 120.0 . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C29 120.0 . .
C33 C34 H34 120.0 . .
C29 C34 H34 120.0 . .
C36 C35 C40 120.0 . .
C36 C35 P4 119.77(16) . .
C40 C35 P4 120.06(16) . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
F44 C38 C37 119.6(6) . .
F44 C38 C39 120.3(6) . .
C37 C38 C39 120.0 . .
C40 C39 C38 120.0 . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C39 C40 C35 120.0 . .
C39 C40 H40 120.0 . .
C35 C40 H40 120.0 . .
C48 C47 Au1 174.4(12) . .
C47 C48 C49 176.4(15) . .
C50 C49 C51 121.3(11) . 5_566
C50 C49 C48 121.6(12) . .
C51 C49 C48 117.2(11) 5_566 .
C49 C50 C51 120.1(12) . .
C49 C50 C53 119.7(11) . .
C51 C50 C53 120.1(12) . .
C50 C51 C49 118.6(11) . 5_566
C50 C51 C52 121.3(12) . .
C49 C51 C52 120.1(11) 5_566 .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C50 C53 H53A 109.5 . .
C50 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C50 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C55 C54 Au2 175.7(12) . .
C54 C55 C56 177.5(15) . .
C58 C56 C57 121.3(12) 7_546 .
C58 C56 C55 121.0(12) 7_546 .
C57 C56 C55 117.7(12) . .
C58 C57 C56 118.8(12) . .
C58 C57 C59 121.6(12) . .
C56 C57 C59 119.5(12) . .
C57 C58 C56 119.9(12) . 7_546
C57 C58 C60 118.4(13) . .
C56 C58 C60 121.7(12) 7_546 .
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 1.976(11) .
Au1 P3 2.270(3) .
Au2 C54 1.925(13) .
Au2 P4 2.260(3) .
P3 C17 1.781(5) .
P3 C11 1.802(5) .
P3 C5 1.817(5) .
P4 C23 1.778(5) .
P4 C35 1.778(5) .
P4 C29 1.794(4) .
F41 C8 1.298(9) .
F42 C14 1.309(9) .
F43 C20 1.321(8) .
F44 C38 1.325(10) .
F45 C32 1.294(8) .
F46 C26 1.351(9) .
C5 C10 1.3897 .
C5 C6 1.3902 .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 C8 1.3900 .
C7 H7 0.9300 .
C8 C9 1.3900 .
C9 C10 1.3899 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.3899 .
C11 C16 1.3901 .
C12 C13 1.3901 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 C15 1.3900 .
C15 C16 1.3899 .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.3896 .
C17 C22 1.3900 .
C18 C19 1.3902 .
C18 H18 0.9300 .
C19 C20 1.3901 .
C19 H19 0.9300 .
C20 C21 1.3902 .
C21 C22 1.3899 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.3899 .
C23 C28 1.3899 .
C24 C25 1.3899 .
C24 H24 0.9300 .
C25 C26 1.3901 .
C25 H25 0.9300 .
C26 C27 1.3899 .
C27 C28 1.3901 .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C34 1.3900 .
C29 C30 1.3901 .
C30 C31 1.3899 .
C30 H30 0.9300 .
C31 C32 1.3899 .
C31 H31 0.9300 .
C32 C33 1.3901 .
C33 C34 1.3899 .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.3899 .
C35 C40 1.3900 .
C36 C37 1.3898 .
C36 H36 0.9300 .
C37 C38 1.3899 .
C37 H37 0.9300 .
C38 C39 1.3901 .
C39 C40 1.3896 .
C39 H39 0.9300 .
C40 H40 0.9300 .
C47 C48 1.205(15) .
C48 C49 1.438(15) .
C49 C50 1.375(16) .
C49 C51 1.404(17) 5_566
C50 C51 1.403(15) .
C50 C53 1.512(18) .
C51 C49 1.404(17) 5_566
C51 C52 1.502(17) .
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 1.188(16) .
C55 C56 1.466(17) .
C56 C58 1.410(17) 7_546
C56 C57 1.410(17) .
C57 C58 1.395(16) .
C57 C59 1.462(17) .
C58 C56 1.410(17) 7_546
C58 C60 1.514(17) .
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 143.28(13) . .
C11 P3 C5 C10 -109.30(17) . .
Au1 P3 C5 C10 19.8(2) . .
C17 P3 C5 C6 -31.1(3) . .
C11 P3 C5 C6 76.3(2) . .
Au1 P3 C5 C6 -154.61(12) . .
C10 C5 C6 C7 0.0 . .
P3 C5 C6 C7 174.34(18) . .
C5 C6 C7 C8 0.0 . .
C6 C7 C8 F41 175.9(7) . .
C6 C7 C8 C9 0.0 . .
F41 C8 C9 C10 -176.0(7) . .
C7 C8 C9 C10 0.0 . .
C6 C5 C10 C9 0.0 . .
P3 C5 C10 C9 -174.51(17) . .
C8 C9 C10 C5 0.0 . .
C17 P3 C11 C12 103.46(18) . .
C5 P3 C11 C12 -4.9(3) . .
Au1 P3 C11 C12 -133.25(12) . .
C17 P3 C11 C16 -72.2(2) . .
C5 P3 C11 C16 179.49(11) . .
Au1 P3 C11 C16 51.1(2) . .
C16 C11 C12 C13 0.0 . .
P3 C11 C12 C13 -175.48(17) . .
C11 C12 C13 C14 0.0 . .
C12 C13 C14 F42 177.4(5) . .
C12 C13 C14 C15 0.0 . .
F42 C14 C15 C16 -177.2(6) . .
C13 C14 C15 C16 0.0 . .
C14 C15 C16 C11 0.0 . .
C12 C11 C16 C15 0.0 . .
P3 C11 C16 C15 175.85(16) . .
C11 P3 C17 C18 -17.6(3) . .
C5 P3 C17 C18 91.4(2) . .
Au1 P3 C17 C18 -143.41(12) . .
C11 P3 C17 C22 161.06(11) . .
C5 P3 C17 C22 -90.0(2) . .
Au1 P3 C17 C22 35.2(2) . .
C22 C17 C18 C19 0.0 . .
P3 C17 C18 C19 178.60(17) . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 F43 -176.6(5) . .
C18 C19 C20 C21 0.0 . .
F43 C20 C21 C22 176.6(5) . .
C19 C20 C21 C22 0.0 . .
C20 C21 C22 C17 0.0 . .
C18 C17 C22 C21 0.0 . .
P3 C17 C22 C21 -178.65(17) . .
C35 P4 C23 C24 -173.99(13) . .
C29 P4 C23 C24 -62.0(3) . .
Au2 P4 C23 C24 61.09(19) . .
C35 P4 C23 C28 8.2(3) . .
C29 P4 C23 C28 120.24(17) . .
Au2 P4 C23 C28 -116.67(15) . .
C28 C23 C24 C25 0.0 . .
P4 C23 C24 C25 -177.81(17) . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 F46 -178.9(5) . .
C24 C25 C26 C27 0.0 . .
F46 C26 C27 C28 178.9(5) . .
C25 C26 C27 C28 0.0 . .
C24 C23 C28 C27 0.0 . .
P4 C23 C28 C27 177.72(18) . .
C26 C27 C28 C23 0.0 . .
C23 P4 C29 C34 162.66(13) . .
C35 P4 C29 C34 -82.7(2) . .
Au2 P4 C29 C34 39.8(2) . .
C23 P4 C29 C30 -23.0(3) . .
C35 P4 C29 C30 91.6(2) . .
Au2 P4 C29 C30 -145.84(13) . .
C34 C29 C30 C31 0.0 . .
P4 C29 C30 C31 -174.20(18) . .
C29 C30 C31 C32 0.0 . .
C30 C31 C32 F45 -177.3(6) . .
C30 C31 C32 C33 0.0 . .
F45 C32 C33 C34 177.2(6) . .
C31 C32 C33 C34 0.0 . .
C32 C33 C34 C29 0.0 . .
C30 C29 C34 C33 0.0 . .
P4 C29 C34 C33 174.42(17) . .
C23 P4 C35 C36 -117.71(19) . .
C29 P4 C35 C36 128.68(16) . .
Au2 P4 C35 C36 6.6(2) . .
C23 P4 C35 C40 67.1(3) . .
C29 P4 C35 C40 -46.5(3) . .
Au2 P4 C35 C40 -168.61(9) . .
C40 C35 C36 C37 0.0 . .
P4 C35 C36 C37 -175.16(17) . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 F44 176.6(6) . .
C36 C37 C38 C39 0.0 . .
F44 C38 C39 C40 -176.6(6) . .
C37 C38 C39 C40 0.0 . .
C38 C39 C40 C35 0.0 . .
C36 C35 C40 C39 0.0 . .
P4 C35 C40 C39 175.16(17) . .
C51 C49 C50 C51 -4(2) 5_566 .
C48 C49 C50 C51 176.8(11) . .
C51 C49 C50 C53 -179.0(12) 5_566 .
C48 C49 C50 C53 1(2) . .
C49 C50 C51 C49 3(2) . 5_566
C53 C50 C51 C49 178.8(12) . 5_566
C49 C50 C51 C52 180.0(13) . .
C53 C50 C51 C52 -5(2) . .
C58 C56 C57 C58 1(2) 7_546 .
C55 C56 C57 C58 -179.6(11) . .
C58 C56 C57 C59 -176.9(12) 7_546 .
C55 C56 C57 C59 2.7(18) . .
C56 C57 C58 C56 -1(2) . 7_546
C59 C57 C58 C56 176.8(12) . 7_546
C56 C57 C58 C60 -179.0(12) . .
C59 C57 C58 C60 -1.4(18) . .
