#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:01:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179521 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/18/4341861.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_4341861
loop_
_publ_author_name
'Dau, Thuy Minh'
'Chen, Yi-An'
'Karttunen, Antti J.'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Lin, Ke-Ting'
'Hung, Wen-Yi'
'Chou, Pi-Tai'
'Pakkanen, Tapani A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State
 Luminescence.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141201154356007
_journal_paper_doi               10.1021/ic501470v
_journal_year                    2014
_chemical_formula_moiety         'C104 H84 Au4 P6, 2(F6 P), 3(C3 H6 O)'
_chemical_formula_sum            'C112 H99 Au4 F12 O3 P8'
_chemical_formula_weight         2756.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.708(2)
_cell_angle_beta                 74.309(2)
_cell_angle_gamma                61.969(2)
_cell_formula_units_Z            1
_cell_length_a                   12.5960(4)
_cell_length_b                   13.2134(4)
_cell_length_c                   18.6224(6)
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.21
_cell_measurement_theta_min      2.39
_cell_volume                     2625.03(15)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            64454
_diffrn_reflns_theta_full        31.89
_diffrn_reflns_theta_max         31.89
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    5.765
_exptl_absorpt_correction_T_max  0.8022
_exptl_absorpt_correction_T_min  0.3051
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1339
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.631
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         17923
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0234P)²+0.1300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                12988
_reflns_number_total             17923
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501470v_si_002.cif
_cod_data_source_block           3
_cod_original_cell_volume        2625.03(14)
_cod_database_code               4341861
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.6252(3) 0.1300(3) 0.46123(18) 0.0205(7) Uani 1 1 d .
C2 C 0.6922(3) 0.1534(3) 0.41162(18) 0.0193(7) Uani 1 1 d .
C3 C 0.7706(3) 0.1789(3) 0.34900(17) 0.0191(7) Uani 1 1 d .
C4 C 0.8930(3) 0.0944(3) 0.31457(18) 0.0222(7) Uani 1 1 d .
H4 H 0.9242 0.0197 0.3320 0.027 Uiso 1 1 calc R
C5 C 0.9686(3) 0.1188(3) 0.25558(18) 0.0203(7) Uani 1 1 d .
H5 H 1.0510 0.0602 0.2325 0.024 Uiso 1 1 calc R
C6 C 0.9267(3) 0.2278(3) 0.22907(17) 0.0183(6) Uani 1 1 d .
C7 C 0.8026(3) 0.3101(3) 0.26167(19) 0.0260(8) Uani 1 1 d .
H7 H 0.7704 0.3841 0.2432 0.031 Uiso 1 1 calc R
C8 C 0.7267(3) 0.2854(3) 0.32018(19) 0.0271(8) Uani 1 1 d .
H8 H 0.6426 0.3425 0.3411 0.033 Uiso 1 1 calc R
C9 C 1.0140(3) 0.2578(3) 0.17317(17) 0.0190(6) Uani 1 1 d .
C10 C 1.1387(3) 0.2084(3) 0.17351(19) 0.0244(7) Uani 1 1 d .
H10 H 1.1691 0.1489 0.2053 0.029 Uiso 1 1 calc R
C11 C 1.2191(3) 0.2446(3) 0.12826(19) 0.0266(8) Uani 1 1 d .
H11 H 1.3038 0.2094 0.1296 0.032 Uiso 1 1 calc R
C12 C 1.1790(3) 0.3312(3) 0.08091(18) 0.0206(7) Uani 1 1 d .
C13 C 1.0559(3) 0.3784(3) 0.07891(19) 0.0265(8) Uani 1 1 d .
H13 H 1.0263 0.4369 0.0463 0.032 Uiso 1 1 calc R
C14 C 0.9746(3) 0.3417(3) 0.12387(19) 0.0253(7) Uani 1 1 d .
H14 H 0.8910 0.3746 0.1208 0.030 Uiso 1 1 calc R
C15 C 1.2655(3) 0.3739(3) 0.03635(18) 0.0223(7) Uani 1 1 d .
C16 C 1.3929(3) 0.2978(3) 0.00674(19) 0.0306(8) Uani 1 1 d .
H16 H 1.4238 0.2182 0.0139 0.037 Uiso 1 1 calc R
C17 C 1.4745(4) 0.3370(4) -0.0329(2) 0.0378(10) Uani 1 1 d .
H17 H 1.5609 0.2847 -0.0527 0.045 Uiso 1 1 calc R
C18 C 1.4294(4) 0.4528(4) -0.0435(2) 0.0389(10) Uani 1 1 d .
H18 H 1.4850 0.4798 -0.0711 0.047 Uiso 1 1 calc R
C19 C 1.3041(4) 0.5295(3) -0.0142(2) 0.0368(10) Uani 1 1 d .
H19 H 1.2738 0.6090 -0.0214 0.044 Uiso 1 1 calc R
C20 C 1.2230(4) 0.4899(3) 0.02579(19) 0.0281(8) Uani 1 1 d .
H20 H 1.1370 0.5428 0.0463 0.034 Uiso 1 1 calc R
C21 C 0.4094(3) -0.0344(2) 0.69326(17) 0.0153(6) Uani 1 1 d .
H21A H 0.3716 -0.0207 0.7481 0.018 Uiso 1 1 calc R
H21B H 0.3763 -0.0778 0.6730 0.018 Uiso 1 1 calc R
C22 C 0.2103(3) 0.1370(3) 0.64270(16) 0.0144(6) Uani 1 1 d .
H22A H 0.2099 0.0639 0.6343 0.017 Uiso 1 1 calc R
H22B H 0.1465 0.1765 0.6904 0.017 Uiso 1 1 calc R
C23 C 0.6031(3) -0.2500(3) 0.72002(18) 0.0198(7) Uani 1 1 d .
C24 C 0.5055(4) -0.2720(4) 0.7558(3) 0.0577(14) Uani 1 1 d .
H24 H 0.4220 -0.2174 0.7571 0.069 Uiso 1 1 calc R
C25 C 0.5294(5) -0.3735(4) 0.7899(3) 0.0749(18) Uani 1 1 d .
H25 H 0.4622 -0.3891 0.8132 0.090 Uiso 1 1 calc R
C26 C 0.6487(4) -0.4514(3) 0.7901(2) 0.0445(11) Uani 1 1 d .
H26 H 0.6648 -0.5213 0.8130 0.053 Uiso 1 1 calc R
C27 C 0.7429(4) -0.4279(3) 0.7577(2) 0.0347(9) Uani 1 1 d .
H27 H 0.8256 -0.4806 0.7591 0.042 Uiso 1 1 calc R
C28 C 0.7209(3) -0.3279(3) 0.7220(2) 0.0350(9) Uani 1 1 d .
H28 H 0.7889 -0.3134 0.6987 0.042 Uiso 1 1 calc R
C29 C 0.6208(3) -0.0367(3) 0.72265(17) 0.0169(6) Uani 1 1 d .
C30 C 0.7022(3) 0.0042(3) 0.68428(18) 0.0210(7) Uani 1 1 d .
H30 H 0.7416 -0.0174 0.6323 0.025 Uiso 1 1 calc R
C31 C 0.7265(3) 0.0761(3) 0.7207(2) 0.0262(8) Uani 1 1 d .
H31 H 0.7832 0.1025 0.6941 0.031 Uiso 1 1 calc R
C32 C 0.6678(3) 0.1093(3) 0.7963(2) 0.0286(8) Uani 1 1 d .
H32 H 0.6835 0.1593 0.8214 0.034 Uiso 1 1 calc R
C33 C 0.5863(3) 0.0695(3) 0.8348(2) 0.0275(8) Uani 1 1 d .
H33 H 0.5464 0.0922 0.8867 0.033 Uiso 1 1 calc R
C34 C 0.5618(3) -0.0032(3) 0.79900(18) 0.0214(7) Uani 1 1 d .
H34 H 0.5055 -0.0299 0.8260 0.026 Uiso 1 1 calc R
C35 C 0.3377(3) 0.2053(3) 0.72456(17) 0.0167(6) Uani 1 1 d .
C36 C 0.3989(3) 0.2721(3) 0.70948(19) 0.0229(7) Uani 1 1 d .
H36 H 0.4533 0.2649 0.6612 0.028 Uiso 1 1 calc R
C37 C 0.3804(3) 0.3494(3) 0.7651(2) 0.0281(8) Uani 1 1 d .
H37 H 0.4232 0.3939 0.7552 0.034 Uiso 1 1 calc R
C38 C 0.2996(3) 0.3611(3) 0.8348(2) 0.0303(8) Uani 1 1 d .
H38 H 0.2864 0.4144 0.8726 0.036 Uiso 1 1 calc R
C39 C 0.2376(3) 0.2961(3) 0.8501(2) 0.0284(8) Uani 1 1 d .
H39 H 0.1816 0.3051 0.8981 0.034 Uiso 1 1 calc R
C40 C 0.2574(3) 0.2173(3) 0.79494(18) 0.0217(7) Uani 1 1 d .
H40 H 0.2158 0.1718 0.8056 0.026 Uiso 1 1 calc R
C41 C 0.1270(3) 0.3711(3) 0.59563(17) 0.0169(6) Uani 1 1 d .
C42 C 0.1313(3) 0.4452(3) 0.54024(19) 0.0266(8) Uani 1 1 d .
H42 H 0.1571 0.4186 0.4890 0.032 Uiso 1 1 calc R
C43 C 0.0980(4) 0.5579(3) 0.5596(2) 0.0342(9) Uani 1 1 d .
H43 H 0.0989 0.6092 0.5218 0.041 Uiso 1 1 calc R
C44 C 0.0635(4) 0.5958(3) 0.6338(2) 0.0334(9) Uani 1 1 d .
H44 H 0.0414 0.6729 0.6470 0.040 Uiso 1 1 calc R
C45 C 0.0609(3) 0.5220(3) 0.6890(2) 0.0295(8) Uani 1 1 d .
H45 H 0.0378 0.5485 0.7400 0.035 Uiso 1 1 calc R
C46 C 0.0916(3) 0.4103(3) 0.67058(18) 0.0213(7) Uani 1 1 d .
H46 H 0.0885 0.3601 0.7088 0.026 Uiso 1 1 calc R
C47 C 0.0198(3) 0.2295(3) 0.56729(17) 0.0166(6) Uani 1 1 d .
C48 C -0.0930(3) 0.3042(3) 0.61770(18) 0.0245(7) Uani 1 1 d .
H48 H -0.0945 0.3536 0.6535 0.029 Uiso 1 1 calc R
C49 C -0.2025(3) 0.3060(3) 0.6153(2) 0.0314(8) Uani 1 1 d .
H49 H -0.2793 0.3566 0.6499 0.038 Uiso 1 1 calc R
C50 C -0.2019(3) 0.2351(3) 0.5632(2) 0.0278(8) Uani 1 1 d .
H50 H -0.2778 0.2382 0.5611 0.033 Uiso 1 1 calc R
C51 C -0.0896(3) 0.1599(3) 0.5143(2) 0.0296(8) Uani 1 1 d .
H51 H -0.0882 0.1097 0.4790 0.036 Uiso 1 1 calc R
C52 C 0.0210(3) 0.1568(3) 0.5162(2) 0.0254(8) Uani 1 1 d .
H52 H 0.0978 0.1047 0.4823 0.030 Uiso 1 1 calc R
C53 C 0.1664(4) 0.8999(4) 0.9253(3) 0.0551(12) Uani 1 1 d .
H53A H 0.2114 0.8451 0.8808 0.083 Uiso 1 1 calc R
H53B H 0.0807 0.9517 0.9232 0.083 Uiso 1 1 calc R
H53C H 0.1642 0.8579 0.9703 0.083 Uiso 1 1 calc R
C54 C 0.2327(4) 0.9695(4) 0.9277(3) 0.0475(11) Uani 1 1 d .
C55 C 0.1824(5) 1.0562(4) 0.9900(3) 0.0691(15) Uani 1 1 d .
H55A H 0.2353 1.0934 0.9840 0.104 Uiso 1 1 calc R
H55B H 0.1810 1.0193 1.0372 0.104 Uiso 1 1 calc R
H55C H 0.0971 1.1140 0.9907 0.104 Uiso 1 1 calc R
F3 F 0.22817(18) 0.70604(17) 0.13478(12) 0.0372(5) Uani 1 1 d .
F1 F 0.0654(2) 0.76731(18) 0.08484(11) 0.0380(5) Uani 1 1 d .
F2 F 0.11530(19) 0.89513(17) 0.12261(11) 0.0324(5) Uani 1 1 d .
F6 F -0.06186(18) 0.88968(17) 0.18711(12) 0.0335(5) Uani 1 1 d .
F5 F 0.05066(19) 0.70051(17) 0.19963(12) 0.0342(5) Uani 1 1 d .
F4 F 0.0994(2) 0.82888(18) 0.23751(11) 0.0349(5) Uani 1 1 d .
P1 P 0.57815(7) -0.11977(7) 0.67363(4) 0.01536(16) Uani 1 1 d .
P2 P 0.36437(7) 0.10364(7) 0.65229(4) 0.01432(16) Uani 1 1 d .
P3 P 0.16577(7) 0.22629(7) 0.56738(4) 0.01498(16) Uani 1 1 d .
P4 P 0.08358(8) 0.79745(7) 0.16056(5) 0.02138(18) Uani 1 1 d .
Au1 Au 0.686702(11) -0.158022(10) 0.547856(6) 0.01626(3) Uani 1 1 d .
Au2 Au 0.504368(10) 0.104987(10) 0.544830(6) 0.01548(3) Uani 1 1 d .
O1 O 0.3227(3) 0.9523(3) 0.87672(18) 0.0680(10) Uani 1 1 d .
O2 O 0.4919(7) 0.5600(6) 0.3935(5) 0.0890(15) Uani 0.50 1 d PDU
C57 C 0.4307(5) 0.4584(5) 0.4988(3) 0.0890(15) Uani 0.50 1 d PDU
H20A H 0.3843 0.4468 0.4683 0.133 Uiso 0.50 1 calc PR
H20B H 0.3722 0.5034 0.5458 0.133 Uiso 0.50 1 calc PR
H20C H 0.4919 0.3836 0.5098 0.133 Uiso 0.50 1 calc PR
C56 C 0.4990(9) 0.5235(9) 0.4557(6) 0.0890(15) Uani 0.50 1 d PDU
C58 C 0.4307(5) 0.4584(5) 0.4988(3) 0.0890(15) Uani 0.50 1 d PD
H20D H 0.3566 0.4564 0.5319 0.133 Uiso 0.50 1 calc PR
H20E H 0.4843 0.3853 0.4680 0.133 Uiso 0.50 1 calc PR
H20F H 0.4045 0.5215 0.4664 0.133 Uiso 0.50 1 calc PR
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'
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'
O O 0.0106 0.0060 '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
C2 C1 Au2 175.3(3) . .
C1 C2 C3 176.7(3) . .
C8 C3 C4 118.2(3) . .
C8 C3 C2 121.4(3) . .
C4 C3 C2 120.4(3) . .
C5 C4 C3 120.5(3) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 121.3(3) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C5 C6 C7 117.7(3) . .
C5 C6 C9 120.7(3) . .
C7 C6 C9 121.3(3) . .
C8 C7 C6 120.9(3) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C3 121.2(3) . .
C7 C8 H8 119.4 . .
C3 C8 H8 119.4 . .
C14 C9 C10 117.5(3) . .
C14 C9 C6 122.7(3) . .
C10 C9 C6 119.5(3) . .
C11 C10 C9 121.0(3) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 121.6(3) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C11 117.6(3) . .
C13 C12 C15 121.9(3) . .
C11 C12 C15 120.4(3) . .
C12 C13 C14 121.2(3) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C9 C14 C13 121.1(3) . .
C9 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C20 C15 C16 118.5(3) . .
C20 C15 C12 121.1(3) . .
C16 C15 C12 120.4(3) . .
C17 C16 C15 120.9(4) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C18 C17 C16 119.5(4) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C19 C18 C17 120.6(3) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C20 119.7(4) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C20 C15 120.9(4) . .
C19 C20 H20 119.5 . .
C15 C20 H20 119.5 . .
P1 C21 P2 111.85(15) . .
P1 C21 H21A 109.2 . .
P2 C21 H21A 109.2 . .
P1 C21 H21B 109.2 . .
P2 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
P3 C22 P2 114.58(15) . .
P3 C22 H22A 108.6 . .
P2 C22 H22A 108.6 . .
P3 C22 H22B 108.6 . .
P2 C22 H22B 108.6 . .
H22A C22 H22B 107.6 . .
C28 C23 C24 118.3(3) . .
C28 C23 P1 119.5(3) . .
C24 C23 P1 122.2(3) . .
C23 C24 C25 120.1(4) . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C26 C25 C24 120.6(4) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C27 C26 C25 119.3(4) . .
C27 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
C26 C27 C28 120.8(3) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C23 C28 C27 120.9(3) . .
C23 C28 H28 119.6 . .
C27 C28 H28 119.6 . .
C30 C29 C34 119.2(3) . .
C30 C29 P1 120.9(2) . .
C34 C29 P1 119.6(2) . .
C31 C30 C29 120.9(3) . .
C31 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C30 C31 C32 119.8(3) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C33 C32 C31 119.7(3) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C32 C33 C34 121.0(3) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
C33 C34 C29 119.4(3) . .
C33 C34 H34 120.3 . .
C29 C34 H34 120.3 . .
C40 C35 C36 119.6(3) . .
C40 C35 P2 120.7(2) . .
C36 C35 P2 119.7(2) . .
C37 C36 C35 120.1(3) . .
C37 C36 H36 119.9 . .
C35 C36 H36 120.0 . .
C38 C37 C36 119.7(3) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C37 C38 C39 120.6(3) . .
C37 C38 H38 119.7 . .
C39 C38 H38 119.7 . .
C38 C39 C40 119.8(3) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C35 C40 C39 120.1(3) . .
C35 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C42 C41 C46 119.6(3) . .
C42 C41 P3 118.2(2) . .
C46 C41 P3 122.2(2) . .
C43 C42 C41 120.0(3) . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C44 C43 C42 119.9(3) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C45 120.2(3) . .
C43 C44 H44 119.9 . .
C45 C44 H44 119.9 . .
C44 C45 C46 120.4(3) . .
C44 C45 H45 119.8 . .
C46 C45 H45 119.8 . .
C45 C46 C41 119.7(3) . .
C45 C46 H46 120.1 . .
C41 C46 H46 120.1 . .
C52 C47 C48 119.6(3) . .
C52 C47 P3 119.4(2) . .
C48 C47 P3 121.0(2) . .
C49 C48 C47 119.6(3) . .
C49 C48 H48 120.2 . .
C47 C48 H48 120.2 . .
C48 C49 C50 120.9(3) . .
C48 C49 H49 119.6 . .
C50 C49 H49 119.6 . .
C51 C50 C49 119.2(3) . .
C51 C50 H50 120.4 . .
C49 C50 H50 120.4 . .
C50 C51 C52 120.5(3) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
C47 C52 C51 120.1(3) . .
C47 C52 H52 119.9 . .
C51 C52 H52 119.9 . .
C54 C53 H53A 109.5 . .
C54 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C54 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
O1 C54 C55 123.3(4) . .
O1 C54 C53 117.7(4) . .
C55 C54 C53 118.9(4) . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C29 P1 C23 108.50(15) . .
C29 P1 C21 103.59(14) . .
C23 P1 C21 105.05(14) . .
C29 P1 Au1 111.86(10) . .
C23 P1 Au1 112.11(11) . .
C21 P1 Au1 115.09(10) . .
C35 P2 C21 106.07(14) . .
C35 P2 C22 106.83(14) . .
C21 P2 C22 101.22(13) . .
C35 P2 Au2 110.97(10) . .
C21 P2 Au2 115.51(10) . .
C22 P2 Au2 115.30(10) . .
C41 P3 C22 107.82(14) . .
C41 P3 C47 106.68(14) . .
C22 P3 C47 103.12(13) . .
C41 P3 Au1 112.44(10) . 2_656
C22 P3 Au1 114.17(10) . 2_656
C47 P3 Au1 111.93(10) . 2_656
F1 P4 F3 90.60(12) . .
F1 P4 F2 90.44(11) . .
F3 P4 F2 90.01(11) . .
F1 P4 F4 179.02(12) . .
F3 P4 F4 90.35(12) . .
F2 P4 F4 89.82(11) . .
F1 P4 F6 89.84(12) . .
F3 P4 F6 179.56(13) . .
F2 P4 F6 90.00(11) . .
F4 P4 F6 89.22(12) . .
F1 P4 F5 90.12(11) . .
F3 P4 F5 90.48(11) . .
F2 P4 F5 179.25(13) . .
F4 P4 F5 89.61(11) . .
F6 P4 F5 89.50(11) . .
P3 Au1 P1 166.49(3) 2_656 .
P3 Au1 Au2 83.94(2) 2_656 2_656
P1 Au1 Au2 108.19(2) . 2_656
P3 Au1 Au2 109.18(2) 2_656 .
P1 Au1 Au2 81.97(2) . .
Au2 Au1 Au2 65.158(5) 2_656 .
C1 Au2 P2 169.41(9) . .
C1 Au2 Au1 93.76(9) . 2_656
P2 Au2 Au1 91.44(2) . 2_656
C1 Au2 Au1 94.60(9) . .
P2 Au2 Au1 91.57(2) . .
Au1 Au2 Au1 114.842(5) 2_656 .
C1 Au2 Au2 97.78(9) . 2_656
P2 Au2 Au2 92.80(2) . 2_656
Au1 Au2 Au2 57.684(4) 2_656 2_656
Au1 Au2 Au2 57.158(5) . 2_656
C56 C57 H20A 109.5 . .
C56 C57 H20B 109.5 . .
H20A C57 H20B 109.5 . .
C56 C57 H20C 109.5 . .
H20A C57 H20C 109.5 . .
H20B C57 H20C 109.5 . .
O2 C56 C58 124.8(7) . 2_666
O2 C56 C57 125.1(7) . .
C58 C56 C57 110.0(8) 2_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.205(4) .
C1 Au2 1.995(3) .
C2 C3 1.447(4) .
C3 C8 1.385(5) .
C3 C4 1.402(4) .
C4 C5 1.379(4) .
C4 H4 0.9500 .
C5 C6 1.392(4) .
C5 H5 0.9500 .
C6 C7 1.399(4) .
C6 C9 1.481(4) .
C7 C8 1.378(4) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C14 1.389(4) .
C9 C10 1.392(4) .
C10 C11 1.383(4) .
C10 H10 0.9500 .
C11 C12 1.387(5) .
C11 H11 0.9500 .
C12 C13 1.383(5) .
C12 C15 1.493(4) .
C13 C14 1.393(4) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C20 1.388(5) .
C15 C16 1.399(5) .
C16 C17 1.384(5) .
C16 H16 0.9500 .
C17 C18 1.383(6) .
C17 H17 0.9500 .
C18 C19 1.382(6) .
C18 H18 0.9500 .
C19 C20 1.386(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 P1 1.816(3) .
C21 P2 1.825(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 P3 1.813(3) .
C22 P2 1.834(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C28 1.361(5) .
C23 C24 1.382(5) .
C23 P1 1.810(3) .
C24 C25 1.385(6) .
C24 H24 0.9500 .
C25 C26 1.366(6) .
C25 H25 0.9500 .
C26 C27 1.345(5) .
C26 H26 0.9500 .
C27 C28 1.385(5) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.391(4) .
C29 C34 1.401(4) .
C29 P1 1.806(3) .
C30 C31 1.384(4) .
C30 H30 0.9500 .
C31 C32 1.386(5) .
C31 H31 0.9500 .
C32 C33 1.383(5) .
C32 H32 0.9500 .
C33 C34 1.388(5) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C40 1.387(4) .
C35 C36 1.395(4) .
C35 P2 1.808(3) .
C36 C37 1.392(5) .
C36 H36 0.9500 .
C37 C38 1.380(5) .
C37 H37 0.9500 .
C38 C39 1.383(5) .
C38 H38 0.9500 .
C39 C40 1.393(4) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.389(4) .
C41 C46 1.394(4) .
C41 P3 1.809(3) .
C42 C43 1.385(5) .
C42 H42 0.9500 .
C43 C44 1.378(5) .
C43 H43 0.9500 .
C44 C45 1.379(5) .
C44 H44 0.9500 .
C45 C46 1.377(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.383(4) .
C47 C48 1.393(4) .
C47 P3 1.820(3) .
C48 C49 1.381(5) .
C48 H48 0.9500 .
C49 C50 1.383(5) .
C49 H49 0.9500 .
C50 C51 1.380(5) .
C50 H50 0.9500 .
C51 C52 1.385(5) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C54 1.514(6) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 O1 1.200(5) .
C54 C55 1.460(6) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
F3 P4 1.591(2) .
F1 P4 1.589(2) .
F2 P4 1.598(2) .
F6 P4 1.602(2) .
F5 P4 1.603(2) .
F4 P4 1.602(2) .
P1 Au1 2.3163(8) .
P2 Au2 2.2872(8) .
P3 Au1 2.3156(8) 2_656
Au1 P3 2.3156(8) 2_656
Au1 Au2 3.12815(19) 2_656
Au1 Au2 3.1466(2) .
Au2 Au1 3.12815(18) 2_656
Au2 Au2 3.3787(2) 2_656
O2 C56 1.238(12) .
C57 C56 1.539(6) .
C57 H20A 0.9800 .
C57 H20B 0.9800 .
C57 H20C 0.9800 .
C56 C58 1.479(6) 2_666
