#------------------------------------------------------------------------------
#$Date: 2019-11-14 12:43:35 +0200 (Thu, 14 Nov 2019) $
#$Revision: 227776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/50/7235067.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_7235067
loop_
_publ_author_name
'Csaba Jobbagy'
'Peter Baranyai'
'Gabor Marsi'
'Barbara Racz'
'Liang Li'
'Pance Naumov'
'Andrea Deak'
_publ_section_title
;
 Novel gold(i) diphosphine-based dimers with aurophilicity triggered
 multistimuli light-emitting properties
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10253
_journal_page_last               10264
_journal_paper_doi               10.1039/C6TC01427E
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C72 H56 Au2 O2 P4, 2(F6 P), C H2 Cl2'
_chemical_formula_sum            'C73 H58 Au2 Cl2 F12 O2 P6'
_chemical_formula_weight         1845.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 105.7400(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.2139(17)
_cell_length_b                   16.1798(12)
_cell_length_c                   19.9656(15)
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.264
_cell_measurement_theta_min      2.289
_cell_volume                     6906.9(9)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            81807
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.318
_diffrn_reflns_theta_min         0.952
_exptl_absorpt_coefficient_mu    4.539
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014) was used for absorption correction.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_description       block
_exptl_crystal_F_000             3608
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.227
_refine_diff_density_min         -1.546
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         17176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0256P)²+15.5385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0613
_refine_ls_wR_factor_ref         0.0685
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13469
_reflns_number_total             17176
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7235067
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.549
_shelx_estimated_absorpt_t_max   0.635
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.78499(2) 0.35109(2) 0.70184(2) 0.01374(4) Uani 1 1 d . . . . .
Au2 Au 0.73684(2) 0.45154(2) 0.84660(2) 0.01406(4) Uani 1 1 d . . . . .
P1 P 0.75534(4) 0.46221(6) 0.62521(5) 0.01328(19) Uani 1 1 d . . . . .
P2 P 0.62942(5) 0.44050(6) 0.80523(5) 0.0149(2) Uani 1 1 d . . . . .
P3 P 0.81303(5) 0.22220(6) 0.75403(5) 0.01263(19) Uani 1 1 d . . . . .
P4 P 0.84046(4) 0.47406(6) 0.90538(5) 0.01305(19) Uani 1 1 d . . . . .
C1 C 0.76259(17) 0.5665(2) 0.66044(19) 0.0140(7) Uani 1 1 d . . . . .
C2 C 0.80760(18) 0.6217(2) 0.6504(2) 0.0172(8) Uani 1 1 d . . . . .
H2 H 0.8328 0.6068 0.6207 0.021 Uiso 1 1 calc R U . . .
C3 C 0.81605(19) 0.6979(3) 0.6834(2) 0.0231(9) Uani 1 1 d . . . . .
H3 H 0.8458 0.7358 0.6750 0.028 Uiso 1 1 calc R U . . .
C4 C 0.7809(2) 0.7185(3) 0.7287(2) 0.0247(9) Uani 1 1 d . . . . .
H4 H 0.7885 0.7692 0.7535 0.030 Uiso 1 1 calc R U . . .
C5 C 0.73495(18) 0.6662(3) 0.7380(2) 0.0207(9) Uani 1 1 d . . . . .
H5 H 0.7104 0.6810 0.7683 0.025 Uiso 1 1 calc R U . . .
C6 C 0.72502(17) 0.5914(2) 0.70244(19) 0.0152(8) Uani 1 1 d . . . . .
C7 C 0.62250(18) 0.5706(2) 0.7143(2) 0.0162(8) Uani 1 1 d . . . . .
C8 C 0.59436(18) 0.5332(2) 0.76057(19) 0.0159(8) Uani 1 1 d . . . . .
C9 C 0.53671(19) 0.5642(3) 0.7654(2) 0.0228(9) Uani 1 1 d . . . . .
H9 H 0.5168 0.5401 0.7972 0.027 Uiso 1 1 calc R U . . .
C10 C 0.50879(19) 0.6296(3) 0.7243(2) 0.0248(10) Uani 1 1 d . . . . .
H10 H 0.4697 0.6503 0.7276 0.030 Uiso 1 1 calc R U . . .
C11 C 0.5376(2) 0.6652(3) 0.6783(2) 0.0284(10) Uani 1 1 d . . . . .
H11 H 0.5180 0.7102 0.6501 0.034 Uiso 1 1 calc R U . . .
C12 C 0.59476(19) 0.6363(3) 0.6724(2) 0.0218(9) Uani 1 1 d . . . . .
H12 H 0.6144 0.6608 0.6406 0.026 Uiso 1 1 calc R U . . .
O1 O 0.67852(12) 0.53658(16) 0.70837(14) 0.0176(6) Uani 1 1 d . . . . .
C13 C 0.76956(17) 0.1911(2) 0.81513(19) 0.0137(8) Uani 1 1 d . . . . .
C14 C 0.72415(18) 0.1293(2) 0.8001(2) 0.0174(8) Uani 1 1 d . . . . .
H14 H 0.7191 0.0971 0.7592 0.021 Uiso 1 1 calc R U . . .
C15 C 0.68603(19) 0.1138(3) 0.8438(2) 0.0219(9) Uani 1 1 d . . . . .
H15 H 0.6557 0.0710 0.8331 0.026 Uiso 1 1 calc R U . . .
C16 C 0.69270(19) 0.1613(3) 0.9027(2) 0.0224(9) Uani 1 1 d . . . . .
H16 H 0.6659 0.1519 0.9318 0.027 Uiso 1 1 calc R U . . .
C17 C 0.73812(19) 0.2225(2) 0.9201(2) 0.0196(8) Uani 1 1 d . . . . .
H17 H 0.7428 0.2546 0.9610 0.024 Uiso 1 1 calc R U . . .
C18 C 0.77643(17) 0.2361(2) 0.87678(19) 0.0148(8) Uani 1 1 d . . . . .
C19 C 0.85414(18) 0.3153(2) 0.95800(19) 0.0158(8) Uani 1 1 d . . . . .
C20 C 0.86763(17) 0.3986(2) 0.97369(19) 0.0144(8) Uani 1 1 d . . . . .
C21 C 0.90355(18) 0.4192(3) 1.04044(19) 0.0175(8) Uani 1 1 d . . . . .
H21 H 0.9125 0.4756 1.0526 0.021 Uiso 1 1 calc R U . . .
C22 C 0.9262(2) 0.3574(3) 1.0891(2) 0.0228(9) Uani 1 1 d . . . . .
H22 H 0.9507 0.3717 1.1345 0.027 Uiso 1 1 calc R U . . .
C23 C 0.9132(2) 0.2750(3) 1.0718(2) 0.0245(9) Uani 1 1 d . . . . .
H23 H 0.9293 0.2331 1.1052 0.029 Uiso 1 1 calc R U . . .
C24 C 0.87690(19) 0.2535(3) 1.0062(2) 0.0208(8) Uani 1 1 d . . . . .
H24 H 0.8677 0.1972 0.9943 0.025 Uiso 1 1 calc R U . . .
O2 O 0.82185(12) 0.29757(16) 0.88918(13) 0.0161(6) Uani 1 1 d . . . . .
C1A C 0.80688(17) 0.4645(2) 0.56822(19) 0.0141(8) Uani 1 1 d . . . . .
C2A C 0.87019(18) 0.4481(2) 0.5970(2) 0.0176(8) Uani 1 1 d . . . . .
H2A H 0.8843 0.4277 0.6432 0.021 Uiso 1 1 calc R U . . .
C3A C 0.91287(19) 0.4615(2) 0.5584(2) 0.0219(9) Uani 1 1 d . . . . .
H3A H 0.9561 0.4513 0.5785 0.026 Uiso 1 1 calc R U . . .
C4A C 0.8920(2) 0.4898(3) 0.4905(2) 0.0248(10) Uani 1 1 d . . . . .
H4A H 0.9211 0.4994 0.4642 0.030 Uiso 1 1 calc R U . . .
C5A C 0.8288(2) 0.5041(3) 0.4608(2) 0.0261(10) Uani 1 1 d . . . . .
H5A H 0.8147 0.5220 0.4138 0.031 Uiso 1 1 calc R U . . .
C6A C 0.7863(2) 0.4922(3) 0.4995(2) 0.0224(9) Uani 1 1 d . . . . .
H6A H 0.7431 0.5030 0.4793 0.027 Uiso 1 1 calc R U . . .
C1B C 0.67593(18) 0.4533(3) 0.5700(2) 0.0183(8) Uani 1 1 d . . . . .
C2B C 0.6471(2) 0.5207(3) 0.5298(2) 0.0251(9) Uani 1 1 d . . . . .
H2B H 0.6681 0.5723 0.5334 0.030 Uiso 1 1 calc R U . . .
C3B C 0.5879(2) 0.5117(3) 0.4847(2) 0.0301(11) Uani 1 1 d . . . . .
H3B H 0.5686 0.5569 0.4566 0.036 Uiso 1 1 calc R U . . .
C4B C 0.5566(2) 0.4372(3) 0.4806(2) 0.0302(11) Uani 1 1 d . . . . .
H4B H 0.5163 0.4312 0.4492 0.036 Uiso 1 1 calc R U . . .
C5B C 0.5837(2) 0.3716(3) 0.5219(2) 0.0297(11) Uani 1 1 d . . . . .
H5B H 0.5615 0.3211 0.5200 0.036 Uiso 1 1 calc R U . . .
C6B C 0.64359(19) 0.3795(3) 0.5663(2) 0.0204(9) Uani 1 1 d . . . . .
H6B H 0.6624 0.3340 0.5944 0.025 Uiso 1 1 calc R U . . .
C1C C 0.59611(18) 0.4281(2) 0.8784(2) 0.0175(8) Uani 1 1 d . . . . .
C2C C 0.5627(2) 0.3584(3) 0.8865(2) 0.0263(10) Uani 1 1 d . . . . .
H2C H 0.5557 0.3154 0.8527 0.032 Uiso 1 1 calc R U . . .
C3C C 0.5394(2) 0.3515(3) 0.9444(2) 0.0299(10) Uani 1 1 d . . . . .
H3C H 0.5162 0.3040 0.9501 0.036 Uiso 1 1 calc R U . . .
C4C C 0.5500(2) 0.4134(3) 0.9934(2) 0.0267(10) Uani 1 1 d . . . . .
H4C H 0.5340 0.4085 1.0327 0.032 Uiso 1 1 calc R U . . .
C5C C 0.5838(2) 0.4827(3) 0.9857(2) 0.0254(9) Uani 1 1 d . . . . .
H5C H 0.5910 0.5252 1.0198 0.030 Uiso 1 1 calc R U . . .
C6C C 0.6074(2) 0.4905(3) 0.9284(2) 0.0221(9) Uani 1 1 d . . . . .
H6C H 0.6309 0.5379 0.9233 0.027 Uiso 1 1 calc R U . . .
C1D C 0.59686(18) 0.3596(2) 0.7438(2) 0.0172(8) Uani 1 1 d . . . . .
C2D C 0.63437(19) 0.2957(2) 0.7330(2) 0.0193(8) Uani 1 1 d . . . . .
H2D H 0.6772 0.2939 0.7585 0.023 Uiso 1 1 calc R U . . .
C3D C 0.6099(2) 0.2338(3) 0.6848(2) 0.0239(9) Uani 1 1 d . . . . .
H3D H 0.6359 0.1903 0.6770 0.029 Uiso 1 1 calc R U . . .
C4D C 0.5474(2) 0.2361(3) 0.6485(2) 0.0275(10) Uani 1 1 d . . . . .
H4D H 0.5305 0.1941 0.6154 0.033 Uiso 1 1 calc R U . . .
C5D C 0.5091(2) 0.2989(3) 0.6597(2) 0.0316(11) Uani 1 1 d . . . . .
H5D H 0.4660 0.2991 0.6351 0.038 Uiso 1 1 calc R U . . .
C6D C 0.5334(2) 0.3615(3) 0.7067(2) 0.0273(10) Uani 1 1 d . . . . .
H6D H 0.5072 0.4053 0.7138 0.033 Uiso 1 1 calc R U . . .
C1E C 0.89534(17) 0.2077(2) 0.79818(19) 0.0128(7) Uani 1 1 d . . . . .
C2E C 0.91434(18) 0.1604(2) 0.8587(2) 0.0186(8) Uani 1 1 d . . . . .
H2E H 0.8841 0.1375 0.8791 0.022 Uiso 1 1 calc R U . . .
C3E C 0.97753(19) 0.1471(3) 0.8891(2) 0.0217(9) Uani 1 1 d . . . . .
H3E H 0.9908 0.1162 0.9310 0.026 Uiso 1 1 calc R U . . .
C4E C 1.02112(19) 0.1791(3) 0.8580(2) 0.0216(9) Uani 1 1 d . . . . .
H4E H 1.0644 0.1693 0.8783 0.026 Uiso 1 1 calc R U . . .
C5E C 1.00205(19) 0.2252(3) 0.7975(2) 0.0222(9) Uani 1 1 d . . . . .
H5E H 1.0323 0.2467 0.7763 0.027 Uiso 1 1 calc R U . . .
C6E C 0.93940(18) 0.2400(3) 0.7678(2) 0.0188(8) Uani 1 1 d . . . . .
H6E H 0.9264 0.2723 0.7267 0.023 Uiso 1 1 calc R U . . .
C1F C 0.79429(17) 0.1430(2) 0.68675(19) 0.0153(8) Uani 1 1 d . . . . .
C2F C 0.81738(19) 0.0627(2) 0.7009(2) 0.0199(8) Uani 1 1 d . . . . .
H2F H 0.8455 0.0500 0.7448 0.024 Uiso 1 1 calc R U . . .
C3F C 0.7991(2) 0.0017(3) 0.6509(2) 0.0263(10) Uani 1 1 d . . . . .
H3F H 0.8150 -0.0528 0.6603 0.032 Uiso 1 1 calc R U . . .
C4F C 0.7576(2) 0.0200(3) 0.5870(2) 0.0277(10) Uani 1 1 d . . . . .
H4F H 0.7441 -0.0225 0.5534 0.033 Uiso 1 1 calc R U . . .
C5F C 0.7358(2) 0.0991(3) 0.5721(2) 0.0261(10) Uani 1 1 d . . . . .
H5F H 0.7084 0.1116 0.5278 0.031 Uiso 1 1 calc R U . . .
C6F C 0.75387(19) 0.1610(3) 0.6218(2) 0.0201(8) Uani 1 1 d . . . . .
H6F H 0.7386 0.2156 0.6115 0.024 Uiso 1 1 calc R U . . .
C1G C 0.89798(17) 0.4712(2) 0.85592(19) 0.0148(8) Uani 1 1 d . . . . .
C2G C 0.9501(2) 0.4203(3) 0.8734(2) 0.0221(9) Uani 1 1 d . . . . .
H2G H 0.9543 0.3800 0.9090 0.027 Uiso 1 1 calc R U . . .
C3G C 0.9963(2) 0.4282(3) 0.8386(2) 0.0260(10) Uani 1 1 d . . . . .
H3G H 1.0322 0.3935 0.8506 0.031 Uiso 1 1 calc R U . . .
C4G C 0.9900(2) 0.4867(3) 0.7864(2) 0.0257(10) Uani 1 1 d . . . . .
H4G H 1.0217 0.4924 0.7628 0.031 Uiso 1 1 calc R U . . .
C5G C 0.9381(2) 0.5361(3) 0.7688(2) 0.0273(10) Uani 1 1 d . . . . .
H5G H 0.9337 0.5755 0.7326 0.033 Uiso 1 1 calc R U . . .
C6G C 0.8919(2) 0.5298(3) 0.8030(2) 0.0232(9) Uani 1 1 d . . . . .
H6G H 0.8562 0.5648 0.7905 0.028 Uiso 1 1 calc R U . . .
C1H C 0.85139(18) 0.5761(2) 0.94428(19) 0.0151(8) Uani 1 1 d . . . . .
C2H C 0.7996(2) 0.6209(3) 0.9513(2) 0.0237(9) Uani 1 1 d . . . . .
H2H H 0.7595 0.5957 0.9400 0.028 Uiso 1 1 calc R U . . .
C3H C 0.8067(2) 0.7017(3) 0.9748(3) 0.0322(11) Uani 1 1 d . . . . .
H3H H 0.7715 0.7319 0.9798 0.039 Uiso 1 1 calc R U . . .
C4H C 0.8655(2) 0.7385(3) 0.9910(2) 0.0278(10) Uani 1 1 d . . . . .
H4H H 0.8702 0.7945 1.0059 0.033 Uiso 1 1 calc R U . . .
C5H C 0.9173(2) 0.6940(3) 0.9855(2) 0.0219(9) Uani 1 1 d . . . . .
H5H H 0.9574 0.7190 0.9975 0.026 Uiso 1 1 calc R U . . .
C6H C 0.91037(19) 0.6132(3) 0.9625(2) 0.0203(9) Uani 1 1 d . . . . .
H6H H 0.9459 0.5826 0.9591 0.024 Uiso 1 1 calc R U . . .
P5 P 0.92123(5) 0.86152(7) 0.83340(5) 0.0188(2) Uani 1 1 d . . . . .
F1 F 0.89309(11) 0.86565(15) 0.74982(12) 0.0254(5) Uani 1 1 d . . . . .
F2 F 0.99092(11) 0.85898(14) 0.82355(12) 0.0220(5) Uani 1 1 d . . . . .
F3 F 0.94989(12) 0.85882(15) 0.91633(12) 0.0274(6) Uani 1 1 d . . . . .
F4 F 0.85179(12) 0.86541(17) 0.84236(14) 0.0342(6) Uani 1 1 d . . . . .
F5 F 0.92482(11) 0.96116(14) 0.83586(13) 0.0259(5) Uani 1 1 d . . . . .
F6 F 0.91833(12) 0.76304(15) 0.83031(13) 0.0288(6) Uani 1 1 d . . . . .
P6 P 0.37311(5) 0.22523(7) 0.48924(6) 0.0219(2) Uani 1 1 d . . . . .
F7 F 0.32229(13) 0.27640(18) 0.43360(16) 0.0451(8) Uani 1 1 d . . . . .
F8 F 0.39065(14) 0.1746(2) 0.42844(16) 0.0516(9) Uani 1 1 d . . . . .
F9 F 0.42526(13) 0.17411(16) 0.54467(15) 0.0386(7) Uani 1 1 d . . . . .
F10 F 0.35710(14) 0.2757(2) 0.55053(16) 0.0487(8) Uani 1 1 d . . . . .
F11 F 0.42541(12) 0.29266(17) 0.48643(15) 0.0388(7) Uani 1 1 d . . . . .
F12 F 0.32222(12) 0.15676(16) 0.49184(15) 0.0380(7) Uani 1 1 d . . . . .
C25 C 0.3392(6) 0.0984(6) 0.2798(4) 0.119(4) Uani 1 1 d . . . . .
H25A H 0.3492 0.1439 0.3142 0.143 Uiso 1 1 calc R U . . .
H25B H 0.2955 0.0813 0.2756 0.143 Uiso 1 1 calc R U . . .
Cl1 Cl 0.34279(14) 0.13853(16) 0.19720(13) 0.1125(9) Uani 1 1 d . . . . .
Cl2 Cl 0.38712(10) 0.01680(14) 0.31244(11) 0.0830(6) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Au1 P3 166.26(3) . .
P2 Au2 P4 169.52(3) . .
C1B P1 C1 106.16(18) . .
C1B P1 C1A 107.12(18) . .
C1 P1 C1A 102.58(17) . .
C1B P1 Au1 113.06(14) . .
C1 P1 Au1 118.74(12) . .
C1A P1 Au1 108.17(12) . .
C1D P2 C8 103.10(18) . .
C1D P2 C1C 106.88(18) . .
C8 P2 C1C 105.81(18) . .
C1D P2 Au2 118.91(13) . .
C8 P2 Au2 112.14(13) . .
C1C P2 Au2 109.09(13) . .
C1E P3 C13 106.63(17) . .
C1E P3 C1F 105.40(17) . .
C13 P3 C1F 104.09(17) . .
C1E P3 Au1 116.29(13) . .
C13 P3 Au1 114.79(12) . .
C1F P3 Au1 108.58(13) . .
C20 P4 C1H 108.26(18) . .
C20 P4 C1G 104.67(18) . .
C1H P4 C1G 102.93(18) . .
C20 P4 Au2 111.06(13) . .
C1H P4 Au2 111.12(13) . .
C1G P4 Au2 118.09(13) . .
C6 C1 C2 118.1(3) . .
C6 C1 P1 119.8(3) . .
C2 C1 P1 122.0(3) . .
C3 C2 C1 120.8(4) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C2 C3 C4 119.7(4) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 120.6(4) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 119.2(4) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C5 C6 O1 122.0(3) . .
C5 C6 C1 121.4(4) . .
O1 C6 C1 116.5(3) . .
C8 C7 C12 121.9(4) . .
C8 C7 O1 117.2(3) . .
C12 C7 O1 120.8(3) . .
C7 C8 C9 118.3(4) . .
C7 C8 P2 118.6(3) . .
C9 C8 P2 122.8(3) . .
C10 C9 C8 120.3(4) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 120.1(4) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 121.1(4) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C11 C12 C7 118.3(4) . .
C11 C12 H12 120.8 . .
C7 C12 H12 120.8 . .
C6 O1 C7 117.1(3) . .
C14 C13 C18 117.5(3) . .
C14 C13 P3 122.6(3) . .
C18 C13 P3 119.6(3) . .
C15 C14 C13 121.4(4) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C16 C15 C14 119.4(4) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C15 C16 C17 120.8(4) . .
C15 C16 H16 119.6 . .
C17 C16 H16 119.6 . .
C18 C17 C16 119.0(4) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
C17 C18 O2 122.8(3) . .
C17 C18 C13 121.7(4) . .
O2 C18 C13 115.4(3) . .
C24 C19 O2 122.0(3) . .
C24 C19 C20 121.7(4) . .
O2 C19 C20 116.1(3) . .
C21 C20 C19 118.5(3) . .
C21 C20 P4 123.1(3) . .
C19 C20 P4 118.3(3) . .
C22 C21 C20 120.0(4) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.4(4) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C24 C23 C22 120.3(4) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C19 C24 C23 119.1(4) . .
C19 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
C18 O2 C19 118.4(3) . .
C2A C1A C6A 119.4(4) . .
C2A C1A P1 118.3(3) . .
C6A C1A P1 121.8(3) . .
C3A C2A C1A 120.3(4) . .
C3A C2A H2A 119.8 . .
C1A C2A H2A 119.8 . .
C4A C3A C2A 119.7(4) . .
C4A C3A H3A 120.1 . .
C2A C3A H3A 120.1 . .
C3A C4A C5A 120.4(4) . .
C3A C4A H4A 119.8 . .
C5A C4A H4A 119.8 . .
C4A C5A C6A 120.1(4) . .
C4A C5A H5A 120.0 . .
C6A C5A H5A 120.0 . .
C5A C6A C1A 120.1(4) . .
C5A C6A H6A 120.0 . .
C1A C6A H6A 120.0 . .
C6B C1B C2B 119.4(4) . .
C6B C1B P1 120.3(3) . .
C2B C1B P1 120.3(3) . .
C3B C2B C1B 119.7(4) . .
C3B C2B H2B 120.1 . .
C1B C2B H2B 120.1 . .
C4B C3B C2B 120.2(4) . .
C4B C3B H3B 119.9 . .
C2B C3B H3B 119.9 . .
C5B C4B C3B 120.4(4) . .
C5B C4B H4B 119.8 . .
C3B C4B H4B 119.8 . .
C4B C5B C6B 119.9(4) . .
C4B C5B H5B 120.1 . .
C6B C5B H5B 120.1 . .
C1B C6B C5B 120.3(4) . .
C1B C6B H6B 119.8 . .
C5B C6B H6B 119.8 . .
C2C C1C C6C 120.3(4) . .
C2C C1C P2 122.1(3) . .
C6C C1C P2 117.6(3) . .
C1C C2C C3C 119.5(4) . .
C1C C2C H2C 120.2 . .
C3C C2C H2C 120.2 . .
C4C C3C C2C 120.1(4) . .
C4C C3C H3C 119.9 . .
C2C C3C H3C 119.9 . .
C3C C4C C5C 120.4(4) . .
C3C C4C H4C 119.8 . .
C5C C4C H4C 119.8 . .
C4C C5C C6C 120.2(4) . .
C4C C5C H5C 119.9 . .
C6C C5C H5C 119.9 . .
C5C C6C C1C 119.4(4) . .
C5C C6C H6C 120.3 . .
C1C C6C H6C 120.3 . .
C2D C1D C6D 119.7(4) . .
C2D C1D P2 120.1(3) . .
C6D C1D P2 120.2(3) . .
C1D C2D C3D 120.5(4) . .
C1D C2D H2D 119.8 . .
C3D C2D H2D 119.8 . .
C4D C3D C2D 119.5(4) . .
C4D C3D H3D 120.3 . .
C2D C3D H3D 120.3 . .
C5D C4D C3D 120.7(4) . .
C5D C4D H4D 119.7 . .
C3D C4D H4D 119.7 . .
C4D C5D C6D 120.2(4) . .
C4D C5D H5D 119.9 . .
C6D C5D H5D 119.9 . .
C5D C6D C1D 119.4(4) . .
C5D C6D H6D 120.3 . .
C1D C6D H6D 120.3 . .
C6E C1E C2E 120.1(3) . .
C6E C1E P3 118.4(3) . .
C2E C1E P3 121.3(3) . .
C3E C2E C1E 119.7(4) . .
C3E C2E H2E 120.1 . .
C1E C2E H2E 120.1 . .
C4E C3E C2E 119.6(4) . .
C4E C3E H3E 120.2 . .
C2E C3E H3E 120.2 . .
C3E C4E C5E 120.5(4) . .
C3E C4E H4E 119.8 . .
C5E C4E H4E 119.8 . .
C6E C5E C4E 120.2(4) . .
C6E C5E H5E 119.9 . .
C4E C5E H5E 119.9 . .
C5E C6E C1E 119.8(4) . .
C5E C6E H6E 120.1 . .
C1E C6E H6E 120.1 . .
C6F C1F C2F 119.4(4) . .
C6F C1F P3 120.1(3) . .
C2F C1F P3 120.4(3) . .
C3F C2F C1F 119.8(4) . .
C3F C2F H2F 120.1 . .
C1F C2F H2F 120.1 . .
C2F C3F C4F 120.2(4) . .
C2F C3F H3F 119.9 . .
C4F C3F H3F 119.9 . .
C5F C4F C3F 120.3(4) . .
C5F C4F H4F 119.8 . .
C3F C4F H4F 119.8 . .
C4F C5F C6F 120.0(4) . .
C4F C5F H5F 120.0 . .
C6F C5F H5F 120.0 . .
C5F C6F C1F 120.2(4) . .
C5F C6F H6F 119.9 . .
C1F C6F H6F 119.9 . .
C2G C1G C6G 119.7(4) . .
C2G C1G P4 122.8(3) . .
C6G C1G P4 117.1(3) . .
C1G C2G C3G 119.9(4) . .
C1G C2G H2G 120.1 . .
C3G C2G H2G 120.1 . .
C4G C3G C2G 120.0(4) . .
C4G C3G H3G 120.0 . .
C2G C3G H3G 120.0 . .
C5G C4G C3G 119.8(4) . .
C5G C4G H4G 120.1 . .
C3G C4G H4G 120.1 . .
C4G C5G C6G 121.2(4) . .
C4G C5G H5G 119.4 . .
C6G C5G H5G 119.4 . .
C5G C6G C1G 119.4(4) . .
C5G C6G H6G 120.3 . .
C1G C6G H6G 120.3 . .
C6H C1H C2H 119.4(4) . .
C6H C1H P4 120.7(3) . .
C2H C1H P4 119.8(3) . .
C3H C2H C1H 120.2(4) . .
C3H C2H H2H 119.9 . .
C1H C2H H2H 119.9 . .
C2H C3H C4H 119.8(4) . .
C2H C3H H3H 120.1 . .
C4H C3H H3H 120.1 . .
C5H C4H C3H 120.4(4) . .
C5H C4H H4H 119.8 . .
C3H C4H H4H 119.8 . .
C6H C5H C4H 119.9(4) . .
C6H C5H H5H 120.0 . .
C4H C5H H5H 120.0 . .
C5H C6H C1H 120.3(4) . .
C5H C6H H6H 119.8 . .
C1H C6H H6H 119.8 . .
F6 P5 F4 90.77(14) . .
F6 P5 F3 90.76(14) . .
F4 P5 F3 90.58(14) . .
F6 P5 F2 90.00(13) . .
F4 P5 F2 179.03(16) . .
F3 P5 F2 89.99(13) . .
F6 P5 F5 179.21(15) . .
F4 P5 F5 89.92(14) . .
F3 P5 F5 89.61(13) . .
F2 P5 F5 89.31(13) . .
F6 P5 F1 90.07(13) . .
F4 P5 F1 89.96(14) . .
F3 P5 F1 179.00(15) . .
F2 P5 F1 89.46(13) . .
F5 P5 F1 89.55(13) . .
F7 P6 F10 90.32(18) . .
F7 P6 F12 90.53(15) . .
F10 P6 F12 91.32(17) . .
F7 P6 F8 90.53(18) . .
F10 P6 F8 178.86(18) . .
F12 P6 F8 89.43(17) . .
F7 P6 F9 179.00(18) . .
F10 P6 F9 90.24(17) . .
F12 P6 F9 90.29(15) . .
F8 P6 F9 88.89(17) . .
F7 P6 F11 90.30(15) . .
F10 P6 F11 89.60(17) . .
F12 P6 F11 178.76(17) . .
F8 P6 F11 89.64(17) . .
F9 P6 F11 88.88(15) . .
Cl2 C25 Cl1 116.8(6) . .
Cl2 C25 H25A 108.1 . .
Cl1 C25 H25A 108.1 . .
Cl2 C25 H25B 108.1 . .
Cl1 C25 H25B 108.1 . .
H25A C25 H25B 107.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.3367(10) .
Au1 P3 2.3390(10) .
Au2 P2 2.3105(10) .
Au2 P4 2.3115(10) .
P1 C1B 1.815(4) .
P1 C1 1.818(4) .
P1 C1A 1.820(4) .
P2 C1D 1.805(4) .
P2 C8 1.809(4) .
P2 C1C 1.819(4) .
P3 C1E 1.817(4) .
P3 C13 1.820(4) .
P3 C1F 1.820(4) .
P4 C20 1.808(4) .
P4 C1H 1.813(4) .
P4 C1G 1.815(4) .
C1 C6 1.394(5) .
C1 C2 1.395(5) .
C2 C3 1.386(6) .
C2 H2 0.9500 .
C3 C4 1.388(6) .
C3 H3 0.9500 .
C4 C5 1.376(6) .
C4 H4 0.9500 .
C5 C6 1.390(5) .
C5 H5 0.9500 .
C6 O1 1.391(4) .
C7 C8 1.388(5) .
C7 C12 1.388(5) .
C7 O1 1.394(4) .
C8 C9 1.403(5) .
C9 C10 1.381(6) .
C9 H9 0.9500 .
C10 C11 1.379(6) .
C10 H10 0.9500 .
C11 C12 1.387(6) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.394(5) .
C13 C18 1.402(5) .
C14 C15 1.394(5) .
C14 H14 0.9500 .
C15 C16 1.379(6) .
C15 H15 0.9500 .
C16 C17 1.389(6) .
C16 H16 0.9500 .
C17 C18 1.385(5) .
C17 H17 0.9500 .
C18 O2 1.390(5) .
C19 C24 1.384(5) .
C19 O2 1.396(4) .
C19 C20 1.398(5) .
C20 C21 1.396(5) .
C21 C22 1.390(6) .
C21 H21 0.9500 .
C22 C23 1.389(6) .
C22 H22 0.9500 .
C23 C24 1.384(6) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C1A C2A 1.393(5) .
C1A C6A 1.397(5) .
C2A C3A 1.392(5) .
C2A H2A 0.9500 .
C3A C4A 1.385(6) .
C3A H3A 0.9500 .
C4A C5A 1.387(6) .
C4A H4A 0.9500 .
C5A C6A 1.387(6) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C1B C6B 1.386(6) .
C1B C2B 1.401(6) .
C2B C3B 1.386(6) .
C2B H2B 0.9500 .
C3B C4B 1.383(7) .
C3B H3B 0.9500 .
C4B C5B 1.378(7) .
C4B H4B 0.9500 .
C5B C6B 1.390(6) .
C5B H5B 0.9500 .
C6B H6B 0.9500 .
C1C C2C 1.384(6) .
C1C C6C 1.393(6) .
C2C C3C 1.394(6) .
C2C H2C 0.9500 .
C3C C4C 1.374(6) .
C3C H3C 0.9500 .
C4C C5C 1.381(6) .
C4C H4C 0.9500 .
C5C C6C 1.387(6) .
C5C H5C 0.9500 .
C6C H6C 0.9500 .
C1D C2D 1.382(5) .
C1D C6D 1.405(6) .
C2D C3D 1.393(6) .
C2D H2D 0.9500 .
C3D C4D 1.382(6) .
C3D H3D 0.9500 .
C4D C5D 1.381(6) .
C4D H4D 0.9500 .
C5D C6D 1.387(6) .
C5D H5D 0.9500 .
C6D H6D 0.9500 .
C1E C6E 1.386(5) .
C1E C2E 1.396(5) .
C2E C3E 1.387(6) .
C2E H2E 0.9500 .
C3E C4E 1.385(6) .
C3E H3E 0.9500 .
C4E C5E 1.386(6) .
C4E H4E 0.9500 .
C5E C6E 1.378(6) .
C5E H5E 0.9500 .
C6E H6E 0.9500 .
C1F C6F 1.393(5) .
C1F C2F 1.397(5) .
C2F C3F 1.386(6) .
C2F H2F 0.9500 .
C3F C4F 1.388(6) .
C3F H3F 0.9500 .
C4F C5F 1.372(6) .
C4F H4F 0.9500 .
C5F C6F 1.390(6) .
C5F H5F 0.9500 .
C6F H6F 0.9500 .
C1G C2G 1.387(6) .
C1G C6G 1.398(5) .
C2G C3G 1.393(6) .
C2G H2G 0.9500 .
C3G C4G 1.387(6) .
C3G H3G 0.9500 .
C4G C5G 1.370(6) .
C4G H4G 0.9500 .
C5G C6G 1.381(6) .
C5G H5G 0.9500 .
C6G H6G 0.9500 .
C1H C6H 1.396(5) .
C1H C2H 1.398(5) .
C2H C3H 1.383(6) .
C2H H2H 0.9500 .
C3H C4H 1.392(6) .
C3H H3H 0.9500 .
C4H C5H 1.387(6) .
C4H H4H 0.9500 .
C5H C6H 1.380(6) .
C5H H5H 0.9500 .
C6H H6H 0.9500 .
P5 F6 1.595(3) .
P5 F4 1.602(3) .
P5 F3 1.605(3) .
P5 F2 1.613(2) .
P5 F5 1.614(3) .
P5 F1 1.617(3) .
P6 F7 1.585(3) .
P6 F10 1.590(3) .
P6 F12 1.594(3) .
P6 F8 1.597(3) .
P6 F9 1.598(3) .
P6 F11 1.606(3) .
C25 Cl2 1.711(10) .
C25 Cl1 1.794(8) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1B P1 C1 C6 62.0(3) . . . .
C1A P1 C1 C6 174.2(3) . . . .
Au1 P1 C1 C6 -66.6(3) . . . .
C1B P1 C1 C2 -122.1(3) . . . .
C1A P1 C1 C2 -9.8(4) . . . .
Au1 P1 C1 C2 109.3(3) . . . .
C6 C1 C2 C3 2.2(6) . . . .
P1 C1 C2 C3 -173.8(3) . . . .
C1 C2 C3 C4 2.2(6) . . . .
C2 C3 C4 C5 -4.0(6) . . . .
C3 C4 C5 C6 1.3(6) . . . .
C4 C5 C6 O1 -178.6(4) . . . .
C4 C5 C6 C1 3.3(6) . . . .
C2 C1 C6 C5 -5.0(6) . . . .
P1 C1 C6 C5 171.1(3) . . . .
C2 C1 C6 O1 176.8(3) . . . .
P1 C1 C6 O1 -7.1(5) . . . .
C12 C7 C8 C9 -1.1(6) . . . .
O1 C7 C8 C9 -177.5(3) . . . .
C12 C7 C8 P2 172.7(3) . . . .
O1 C7 C8 P2 -3.7(5) . . . .
C1D P2 C8 C7 -85.0(3) . . . .
C1C P2 C8 C7 162.9(3) . . . .
Au2 P2 C8 C7 44.1(3) . . . .
C1D P2 C8 C9 88.5(4) . . . .
C1C P2 C8 C9 -23.6(4) . . . .
Au2 P2 C8 C9 -142.4(3) . . . .
C7 C8 C9 C10 0.8(6) . . . .
P2 C8 C9 C10 -172.7(3) . . . .
C8 C9 C10 C11 -0.3(7) . . . .
C9 C10 C11 C12 0.0(7) . . . .
C10 C11 C12 C7 -0.2(7) . . . .
C8 C7 C12 C11 0.8(6) . . . .
O1 C7 C12 C11 177.1(4) . . . .
C5 C6 O1 C7 36.4(5) . . . .
C1 C6 O1 C7 -145.4(3) . . . .
C8 C7 O1 C6 -139.9(4) . . . .
C12 C7 O1 C6 43.6(5) . . . .
C1E P3 C13 C14 -122.3(3) . . . .
C1F P3 C13 C14 -11.2(4) . . . .
Au1 P3 C13 C14 107.3(3) . . . .
C1E P3 C13 C18 64.7(3) . . . .
C1F P3 C13 C18 175.9(3) . . . .
Au1 P3 C13 C18 -65.6(3) . . . .
C18 C13 C14 C15 1.3(6) . . . .
P3 C13 C14 C15 -171.7(3) . . . .
C13 C14 C15 C16 0.9(6) . . . .
C14 C15 C16 C17 -1.9(6) . . . .
C15 C16 C17 C18 0.7(6) . . . .
C16 C17 C18 O2 178.2(3) . . . .
C16 C17 C18 C13 1.6(6) . . . .
C14 C13 C18 C17 -2.6(6) . . . .
P3 C13 C18 C17 170.7(3) . . . .
C14 C13 C18 O2 -179.4(3) . . . .
P3 C13 C18 O2 -6.1(4) . . . .
C24 C19 C20 C21 -1.8(6) . . . .
O2 C19 C20 C21 -175.7(3) . . . .
C24 C19 C20 P4 175.6(3) . . . .
O2 C19 C20 P4 1.8(5) . . . .
C1H P4 C20 C21 -13.4(4) . . . .
C1G P4 C20 C21 95.9(3) . . . .
Au2 P4 C20 C21 -135.6(3) . . . .
C1H P4 C20 C19 169.3(3) . . . .
C1G P4 C20 C19 -81.4(3) . . . .
Au2 P4 C20 C19 47.0(3) . . . .
C19 C20 C21 C22 1.4(6) . . . .
P4 C20 C21 C22 -175.9(3) . . . .
C20 C21 C22 C23 -0.1(6) . . . .
C21 C22 C23 C24 -0.8(7) . . . .
O2 C19 C24 C23 174.4(4) . . . .
C20 C19 C24 C23 0.9(6) . . . .
C22 C23 C24 C19 0.4(6) . . . .
C17 C18 O2 C19 35.6(5) . . . .
C13 C18 O2 C19 -147.6(3) . . . .
C24 C19 O2 C18 44.3(5) . . . .
C20 C19 O2 C18 -141.9(3) . . . .
C1B P1 C1A C2A -162.4(3) . . . .
C1 P1 C1A C2A 86.0(3) . . . .
Au1 P1 C1A C2A -40.3(3) . . . .
C1B P1 C1A C6A 25.8(4) . . . .
C1 P1 C1A C6A -85.8(3) . . . .
Au1 P1 C1A C6A 148.0(3) . . . .
C6A C1A C2A C3A 1.9(6) . . . .
P1 C1A C2A C3A -170.1(3) . . . .
C1A C2A C3A C4A -1.2(6) . . . .
C2A C3A C4A C5A -0.6(6) . . . .
C3A C4A C5A C6A 1.7(7) . . . .
C4A C5A C6A C1A -1.0(7) . . . .
C2A C1A C6A C5A -0.7(6) . . . .
P1 C1A C6A C5A 170.9(3) . . . .
C1 P1 C1B C6B -143.9(3) . . . .
C1A P1 C1B C6B 107.0(3) . . . .
Au1 P1 C1B C6B -12.0(4) . . . .
C1 P1 C1B C2B 37.1(4) . . . .
C1A P1 C1B C2B -72.0(4) . . . .
Au1 P1 C1B C2B 169.0(3) . . . .
C6B C1B C2B C3B -2.8(6) . . . .
P1 C1B C2B C3B 176.2(3) . . . .
C1B C2B C3B C4B 1.5(7) . . . .
C2B C3B C4B C5B 0.9(7) . . . .
C3B C4B C5B C6B -2.0(7) . . . .
C2B C1B C6B C5B 1.6(6) . . . .
P1 C1B C6B C5B -177.4(3) . . . .
C4B C5B C6B C1B 0.8(6) . . . .
C1D P2 C1C C2C 11.3(4) . . . .
C8 P2 C1C C2C 120.7(4) . . . .
Au2 P2 C1C C2C -118.5(3) . . . .
C1D P2 C1C C6C -171.2(3) . . . .
C8 P2 C1C C6C -61.8(4) . . . .
Au2 P2 C1C C6C 59.1(3) . . . .
C6C C1C C2C C3C 1.1(6) . . . .
P2 C1C C2C C3C 178.6(3) . . . .
C1C C2C C3C C4C -0.5(7) . . . .
C2C C3C C4C C5C -0.1(7) . . . .
C3C C4C C5C C6C 0.1(7) . . . .
C4C C5C C6C C1C 0.5(7) . . . .
C2C C1C C6C C5C -1.1(6) . . . .
P2 C1C C6C C5C -178.8(3) . . . .
C8 P2 C1D C2D 138.1(3) . . . .
C1C P2 C1D C2D -110.6(3) . . . .
Au2 P2 C1D C2D 13.3(4) . . . .
C8 P2 C1D C6D -41.7(4) . . . .
C1C P2 C1D C6D 69.5(4) . . . .
Au2 P2 C1D C6D -166.5(3) . . . .
C6D C1D C2D C3D 0.9(6) . . . .
P2 C1D C2D C3D -178.9(3) . . . .
C1D C2D C3D C4D -0.8(6) . . . .
C2D C3D C4D C5D -0.3(7) . . . .
C3D C4D C5D C6D 1.4(7) . . . .
C4D C5D C6D C1D -1.3(7) . . . .
C2D C1D C6D C5D 0.1(7) . . . .
P2 C1D C6D C5D 179.9(4) . . . .
C13 P3 C1E C6E -169.0(3) . . . .
C1F P3 C1E C6E 80.8(3) . . . .
Au1 P3 C1E C6E -39.5(3) . . . .
C13 P3 C1E C2E 15.3(4) . . . .
C1F P3 C1E C2E -94.9(3) . . . .
Au1 P3 C1E C2E 144.8(3) . . . .
C6E C1E C2E C3E 1.1(6) . . . .
P3 C1E C2E C3E 176.7(3) . . . .
C1E C2E C3E C4E -1.6(6) . . . .
C2E C3E C4E C5E 1.0(6) . . . .
C3E C4E C5E C6E 0.3(6) . . . .
C4E C5E C6E C1E -0.9(6) . . . .
C2E C1E C6E C5E 0.2(6) . . . .
P3 C1E C6E C5E -175.5(3) . . . .
C1E P3 C1F C6F -141.8(3) . . . .
C13 P3 C1F C6F 106.2(3) . . . .
Au1 P3 C1F C6F -16.5(3) . . . .
C1E P3 C1F C2F 41.9(4) . . . .
C13 P3 C1F C2F -70.2(3) . . . .
Au1 P3 C1F C2F 167.1(3) . . . .
C6F C1F C2F C3F -1.1(6) . . . .
P3 C1F C2F C3F 175.3(3) . . . .
C1F C2F C3F C4F -0.5(6) . . . .
C2F C3F C4F C5F 2.0(7) . . . .
C3F C4F C5F C6F -1.9(7) . . . .
C4F C5F C6F C1F 0.4(6) . . . .
C2F C1F C6F C5F 1.2(6) . . . .
P3 C1F C6F C5F -175.2(3) . . . .
C20 P4 C1G C2G -1.1(4) . . . .
C1H P4 C1G C2G 112.0(3) . . . .
Au2 P4 C1G C2G -125.2(3) . . . .
C20 P4 C1G C6G -174.1(3) . . . .
C1H P4 C1G C6G -61.0(3) . . . .
Au2 P4 C1G C6G 61.8(3) . . . .
C6G C1G C2G C3G 0.7(6) . . . .
P4 C1G C2G C3G -172.2(3) . . . .
C1G C2G C3G C4G -0.3(6) . . . .
C2G C3G C4G C5G -0.5(6) . . . .
C3G C4G C5G C6G 0.9(7) . . . .
C4G C5G C6G C1G -0.6(7) . . . .
C2G C1G C6G C5G -0.2(6) . . . .
P4 C1G C6G C5G 173.0(3) . . . .
C20 P4 C1H C6H 78.4(4) . . . .
C1G P4 C1H C6H -32.0(4) . . . .
Au2 P4 C1H C6H -159.4(3) . . . .
C20 P4 C1H C2H -106.5(3) . . . .
C1G P4 C1H C2H 143.1(3) . . . .
Au2 P4 C1H C2H 15.8(4) . . . .
C6H C1H C2H C3H 1.3(6) . . . .
P4 C1H C2H C3H -173.9(4) . . . .
C1H C2H C3H C4H 0.4(7) . . . .
C2H C3H C4H C5H -1.7(7) . . . .
C3H C4H C5H C6H 1.3(7) . . . .
C4H C5H C6H C1H 0.5(6) . . . .
C2H C1H C6H C5H -1.8(6) . . . .
P4 C1H C6H C5H 173.4(3) . . . .
