#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:09:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179882 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/78/7017820.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_7017820
loop_
_publ_author_name
'Koshevoy, Igor O.'
'Lin, Chia-Li'
'Hsieh, Cheng-Chih'
'Karttunen, Antti J.'
'Haukka, Matti'
'Pakkanen, Tapani A.'
'Chou, Pi-Tai'
_publ_section_title
;
 Synthesis, characterization and photophysical properties of
 PPh2-C2-(C6H4)n-C2-PPh2 based bimetallic Au(I) complexes.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              937
_journal_page_last               945
_journal_paper_doi               10.1039/c1dt11494h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C120 H108 Au4 O4 P4, C6 H14, 4(C H2 Cl2)'
_chemical_formula_sum            'C130 H130 Au4 Cl8 O4 P4'
_chemical_formula_weight         2951.69
_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                97.135(3)
_cell_angle_beta                 103.103(2)
_cell_angle_gamma                93.052(2)
_cell_formula_units_Z            1
_cell_length_a                   11.6702(9)
_cell_length_b                   13.6745(11)
_cell_length_c                   21.1659(17)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      2.33
_cell_volume                     3252.7(4)
_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    'SIR97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32989
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    4.758
_exptl_absorpt_correction_T_max  0.6713
_exptl_absorpt_correction_T_min  0.3401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1454
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.335
_refine_diff_density_min         -1.948
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     708
_refine_ls_number_reflns         12098
_refine_ls_number_restraints     212
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0569
_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)+(0.0492P)²+60.4343P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1331
_refine_ls_wR_factor_ref         0.1558
_reflns_number_gt                8869
_reflns_number_total             12098
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11494h.txt
_cod_data_source_block           6
_cod_database_code               7017820
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.93738(3) 0.26738(3) 0.889555(19) 0.02925(12) Uani 1 1 d . . .
Au2 Au 1.10190(3) 0.25002(3) 0.79145(2) 0.03089(13) Uani 1 1 d . . .
P1 P 0.8117(2) 0.3398(2) 0.81390(12) 0.0276(6) Uani 1 1 d . . .
P2 P 1.2399(2) 0.3773(2) 0.83612(13) 0.0271(6) Uani 1 1 d . . .
O1 O 1.2532(9) 0.0937(8) 1.0579(6) 0.093(4) Uani 1 1 d U . .
O2 O 0.9163(13) -0.1094(11) 0.7077(9) 0.119(5) Uani 1 1 d U . .
C1 C 0.7612(9) 0.4553(8) 0.8426(5) 0.029(2) Uani 1 1 d . . .
C2 C 0.7721(10) 0.4828(9) 0.9085(6) 0.042(3) Uani 1 1 d . . .
H2 H 0.8049 0.4399 0.9386 0.050 Uiso 1 1 calc R . .
C3 C 0.7358(11) 0.5723(9) 0.9314(6) 0.046(3) Uani 1 1 d . . .
H3 H 0.7401 0.5887 0.9768 0.056 Uiso 1 1 calc R . .
C4 C 0.6940(12) 0.6376(9) 0.8894(6) 0.046(3) Uani 1 1 d . . .
H4 H 0.6742 0.7008 0.9057 0.056 Uiso 1 1 calc R . .
C5 C 0.6809(13) 0.6097(9) 0.8225(6) 0.053(3) Uani 1 1 d . . .
H5 H 0.6482 0.6529 0.7926 0.064 Uiso 1 1 calc R . .
C6 C 0.7149(10) 0.5201(8) 0.7993(5) 0.039(3) Uani 1 1 d . . .
H6 H 0.7068 0.5022 0.7536 0.047 Uiso 1 1 calc R . .
C7 C 0.6822(9) 0.2562(8) 0.7766(5) 0.029(2) Uani 1 1 d . . .
C8 C 0.5885(9) 0.2532(8) 0.8064(5) 0.033(2) Uani 1 1 d . . .
H8 H 0.5897 0.2992 0.8441 0.040 Uiso 1 1 calc R . .
C9 C 0.4931(10) 0.1840(8) 0.7820(6) 0.041(3) Uani 1 1 d . . .
H9 H 0.4286 0.1836 0.8025 0.049 Uiso 1 1 calc R . .
C10 C 0.4913(11) 0.1160(9) 0.7285(6) 0.047(3) Uani 1 1 d . . .
H10 H 0.4259 0.0681 0.7119 0.056 Uiso 1 1 calc R . .
C11 C 0.5844(12) 0.1175(9) 0.6991(6) 0.049(3) Uani 1 1 d . . .
H11 H 0.5826 0.0701 0.6620 0.059 Uiso 1 1 calc R . .
C12 C 0.6811(10) 0.1861(8) 0.7220(6) 0.037(3) Uani 1 1 d . . .
H12 H 0.7452 0.1859 0.7012 0.045 Uiso 1 1 calc R . .
C13 C 0.8696(9) 0.3690(8) 0.7480(5) 0.033(2) Uani 1 1 d . . .
C14 C 0.9265(9) 0.3901(8) 0.7104(5) 0.036(3) Uani 1 1 d . . .
C15 C 0.9968(9) 0.4098(10) 0.6654(5) 0.040(3) Uani 1 1 d . . .
C16 C 1.0259(11) 0.3323(10) 0.6257(6) 0.049(3) Uani 1 1 d . . .
H16 H 1.0000 0.2665 0.6291 0.059 Uiso 1 1 calc R . .
C17 C 1.0923(11) 0.3485(10) 0.5808(6) 0.046(3) Uani 1 1 d . . .
H17 H 1.1107 0.2944 0.5531 0.055 Uiso 1 1 calc R . .
C18 C 1.1321(9) 0.4452(10) 0.5765(5) 0.040(3) Uani 1 1 d . . .
C19 C 1.1032(10) 0.5226(10) 0.6172(6) 0.047(3) Uani 1 1 d . . .
H19 H 1.1296 0.5887 0.6148 0.056 Uiso 1 1 calc R . .
C20 C 1.0359(11) 0.5046(10) 0.6616(6) 0.046(3) Uani 1 1 d . . .
H20 H 1.0170 0.5582 0.6894 0.056 Uiso 1 1 calc R . .
C21 C 1.2039(9) 0.4644(9) 0.5289(5) 0.037(3) Uani 1 1 d . . .
C22 C 1.1898(10) 0.5457(9) 0.4948(5) 0.041(3) Uani 1 1 d . . .
H22 H 1.1326 0.5900 0.5022 0.049 Uiso 1 1 calc R . .
C23 C 1.7431(9) 0.4362(9) 0.5494(5) 0.037(3) Uani 1 1 d . . .
H23 H 1.7567 0.3816 0.5730 0.045 Uiso 1 1 calc R . .
C24 C 1.6556(9) 0.4981(9) 0.5595(5) 0.034(2) Uani 1 1 d . . .
C25 C 1.6417(9) 0.5783(9) 0.5252(5) 0.039(3) Uani 1 1 d . . .
H25 H 1.5830 0.6216 0.5315 0.047 Uiso 1 1 calc R . .
C26 C 1.2893(9) 0.4025(10) 0.5179(5) 0.039(3) Uani 1 1 d . . .
H26 H 1.3009 0.3463 0.5402 0.047 Uiso 1 1 calc R . .
C27 C 1.5814(9) 0.4787(9) 0.6053(5) 0.033(2) Uani 1 1 d . . .
C28 C 1.5637(9) 0.3838(8) 0.6218(5) 0.030(2) Uani 1 1 d . . .
H28 H 1.6009 0.3310 0.6035 0.037 Uiso 1 1 calc R . .
C29 C 1.4937(9) 0.3653(9) 0.6639(5) 0.034(2) Uani 1 1 d . . .
H29 H 1.4833 0.3003 0.6742 0.040 Uiso 1 1 calc R . .
C30 C 1.4382(9) 0.4408(8) 0.6912(5) 0.033(2) Uani 1 1 d . . .
C31 C 1.4526(10) 0.5355(9) 0.6748(5) 0.037(3) Uani 1 1 d . . .
H31 H 1.4137 0.5876 0.6926 0.045 Uiso 1 1 calc R . .
C32 C 1.5227(10) 0.5538(9) 0.6329(5) 0.038(3) Uani 1 1 d . . .
H32 H 1.5318 0.6188 0.6223 0.045 Uiso 1 1 calc R . .
C33 C 1.3697(9) 0.4230(8) 0.7379(5) 0.034(2) Uani 1 1 d . . .
C34 C 1.3182(9) 0.4074(8) 0.7788(5) 0.033(2) Uani 1 1 d . . .
C35 C 1.1914(9) 0.4942(8) 0.8654(5) 0.029(2) Uani 1 1 d . . .
C36 C 1.2310(10) 0.5825(8) 0.8500(6) 0.042(3) Uani 1 1 d . . .
H36 H 1.2857 0.5832 0.8229 0.050 Uiso 1 1 calc R . .
C37 C 1.1912(12) 0.6719(9) 0.8740(6) 0.049(3) Uani 1 1 d . . .
H37 H 1.2177 0.7326 0.8625 0.059 Uiso 1 1 calc R . .
C38 C 1.1133(10) 0.6709(8) 0.9143(5) 0.036(3) Uani 1 1 d . . .
H38 H 1.0858 0.7310 0.9304 0.043 Uiso 1 1 calc R . .
C39 C 1.0762(9) 0.5841(9) 0.9309(5) 0.037(3) Uani 1 1 d . . .
H39 H 1.0228 0.5837 0.9588 0.044 Uiso 1 1 calc R . .
C40 C 1.1156(10) 0.4959(9) 0.9076(5) 0.038(3) Uani 1 1 d . . .
H40 H 1.0904 0.4358 0.9206 0.045 Uiso 1 1 calc R . .
C41 C 1.3518(9) 0.3450(8) 0.9029(5) 0.032(2) Uani 1 1 d . . .
C42 C 1.3280(11) 0.2597(8) 0.9292(5) 0.039(3) Uani 1 1 d . . .
H42 H 1.2545 0.2215 0.9126 0.047 Uiso 1 1 calc R . .
C43 C 1.4116(12) 0.2310(10) 0.9794(6) 0.048(3) Uani 1 1 d . . .
H43 H 1.3949 0.1736 0.9980 0.057 Uiso 1 1 calc R . .
C44 C 1.5202(12) 0.2859(11) 1.0029(6) 0.054(4) Uani 1 1 d . . .
H44 H 1.5782 0.2650 1.0366 0.064 Uiso 1 1 calc R . .
C45 C 1.5441(10) 0.3716(10) 0.9770(5) 0.043(3) Uani 1 1 d . . .
H45 H 1.6175 0.4099 0.9938 0.052 Uiso 1 1 calc R . .
C46 C 1.4605(10) 0.4008(9) 0.9267(5) 0.041(3) Uani 1 1 d . . .
H46 H 1.4769 0.4585 0.9084 0.049 Uiso 1 1 calc R . .
C47 C 1.0332(9) 0.1988(9) 0.9587(5) 0.036(3) Uani 1 1 d . . .
C48 C 1.0835(10) 0.1534(9) 0.9998(5) 0.038(3) Uani 1 1 d . . .
C49 C 1.1341(12) 0.0924(12) 1.0502(6) 0.059(4) Uani 1 1 d . . .
H49A H 1.1159 0.1182 1.0923 0.071 Uiso 1 1 calc R . .
H49B H 1.0982 0.0235 1.0371 0.071 Uiso 1 1 calc R . .
C50 C 1.3047(14) 0.0354(13) 1.1135(9) 0.097(6) Uani 1 1 d DU . .
C51 C 1.4084(18) 0.0947(16) 1.1506(11) 0.129(8) Uani 1 1 d DU . .
H51A H 1.3859 0.1489 1.1789 0.193 Uiso 1 1 calc R . .
H51B H 1.4506 0.1219 1.1208 0.193 Uiso 1 1 calc R . .
H51C H 1.4599 0.0538 1.1777 0.193 Uiso 1 1 calc R . .
C52 C 1.235(2) 0.0028(18) 1.1575(11) 0.145(10) Uani 1 1 d DU . .
H52A H 1.2244 0.0597 1.1879 0.218 Uiso 1 1 calc R . .
H52B H 1.2770 -0.0459 1.1824 0.218 Uiso 1 1 calc R . .
H52C H 1.1582 -0.0275 1.1319 0.218 Uiso 1 1 calc R . .
C53 C 1.324(2) -0.0452(17) 1.0694(11) 0.133(8) Uani 1 1 d DU . .
H53A H 1.2479 -0.0797 1.0454 0.200 Uiso 1 1 calc R . .
H53B H 1.3718 -0.0910 1.0939 0.200 Uiso 1 1 calc R . .
H53C H 1.3655 -0.0208 1.0384 0.200 Uiso 1 1 calc R . .
C54 C 0.9945(11) 0.1310(10) 0.7471(7) 0.053(3) Uani 1 1 d U . .
C55 C 0.9345(13) 0.0577(11) 0.7228(9) 0.072(4) Uani 1 1 d U . .
C56 C 0.8673(19) -0.0399(16) 0.6858(12) 0.110(7) Uani 1 1 d U . .
H56A H 0.7849 -0.0428 0.6909 0.132 Uiso 1 1 calc R . .
H56B H 0.8652 -0.0438 0.6385 0.132 Uiso 1 1 calc R . .
C57 C 0.8753(14) -0.2190(14) 0.6899(7) 0.089(5) Uani 1 1 d DU . .
C58 C 0.9234(17) -0.2462(16) 0.6293(9) 0.114(7) Uani 1 1 d DU . .
H58A H 1.0090 -0.2295 0.6403 0.171 Uiso 1 1 calc R . .
H58B H 0.8858 -0.2092 0.5945 0.171 Uiso 1 1 calc R . .
H58C H 0.9065 -0.3173 0.6142 0.171 Uiso 1 1 calc R . .
C59 C 0.7450(16) -0.2313(17) 0.6769(10) 0.118(7) Uani 1 1 d DU . .
H59A H 0.7107 -0.2029 0.6372 0.177 Uiso 1 1 calc R . .
H59B H 0.7191 -0.1972 0.7141 0.177 Uiso 1 1 calc R . .
H59C H 0.7187 -0.3018 0.6706 0.177 Uiso 1 1 calc R . .
C60 C 0.9354(18) -0.2646(17) 0.7490(9) 0.122(8) Uani 1 1 d DU . .
H60A H 1.0212 -0.2512 0.7567 0.182 Uiso 1 1 calc R . .
H60B H 0.9150 -0.3362 0.7410 0.182 Uiso 1 1 calc R . .
H60C H 0.9091 -0.2359 0.7875 0.182 Uiso 1 1 calc R . .
C62 C 0.586(3) 0.115(3) 0.5255(14) 0.089(4) Uani 0.50 1 d PDU . .
H62A H 0.6185 0.1047 0.5709 0.133 Uiso 0.50 1 calc PR . .
H62B H 0.5510 0.0515 0.4995 0.133 Uiso 0.50 1 calc PR . .
H62C H 0.5246 0.1615 0.5244 0.133 Uiso 0.50 1 calc PR . .
C63 C 0.683(3) 0.156(3) 0.4972(14) 0.089(4) Uani 0.50 1 d PDU . .
H63A H 0.7072 0.2252 0.5183 0.106 Uiso 0.50 1 calc PR . .
H63B H 0.7524 0.1173 0.5082 0.106 Uiso 0.50 1 calc PR . .
C64 C 0.649(3) 0.155(3) 0.4241(12) 0.089(4) Uani 0.50 1 d PDU . .
H64A H 0.6569 0.0845 0.4093 0.106 Uiso 0.50 1 calc PR . .
H64B H 0.5630 0.1593 0.4174 0.106 Uiso 0.50 1 calc PR . .
C65 C 0.670(3) 0.199(3) 0.3679(12) 0.089(4) Uani 0.50 1 d PDU . .
H65A H 0.7520 0.1835 0.3675 0.106 Uiso 0.50 1 calc PR . .
H65B H 0.6766 0.2708 0.3838 0.106 Uiso 0.50 1 calc PR . .
C66 C 0.614(3) 0.195(3) 0.2973(14) 0.089(4) Uani 0.50 1 d PDU . .
H66A H 0.5447 0.2336 0.2930 0.106 Uiso 0.50 1 calc PR . .
H66B H 0.5857 0.1251 0.2794 0.106 Uiso 0.50 1 calc PR . .
C67 C 0.692(3) 0.232(3) 0.2559(12) 0.089(4) Uani 0.50 1 d PDU . .
H67A H 0.6483 0.2217 0.2099 0.133 Uiso 0.50 1 calc PR . .
H67B H 0.7627 0.1955 0.2607 0.133 Uiso 0.50 1 calc PR . .
H67C H 0.7147 0.3025 0.2702 0.133 Uiso 0.50 1 calc PR . .
C61 C 0.8460(16) 0.9923(17) 0.1457(10) 0.115(7) Uani 0.490(9) 1 d PDU A 1
H61A H 0.9257 1.0137 0.1738 0.139 Uiso 0.490(9) 1 calc PR A 1
H61B H 0.8499 0.9263 0.1215 0.139 Uiso 0.490(9) 1 calc PR A 1
Cl1 Cl 0.8130(8) 1.0673(6) 0.0948(3) 0.065(3) Uani 0.490(9) 1 d PDU A 1
Cl2 Cl 0.7414(6) 0.9805(5) 0.1991(4) 0.060(2) Uani 0.490(9) 1 d PDU A 1
C61B C 0.8460(16) 0.9923(17) 0.1457(10) 0.115(7) Uani 0.510(9) 1 d P A 2
H61C H 0.8834 0.9724 0.1886 0.139 Uiso 0.510(9) 1 calc PR A 2
H61D H 0.8509 0.9377 0.1113 0.139 Uiso 0.510(9) 1 calc PR A 2
Cl1B Cl 0.9196(9) 1.0878(6) 0.1358(6) 0.093(3) Uani 0.510(9) 1 d PDU A 2
Cl2B Cl 0.6904(8) 1.0073(7) 0.1431(5) 0.085(3) Uani 0.510(9) 1 d PDU A 2
C68 C 0.9393(15) 0.973(2) 0.3932(16) 0.082 Uani 0.58 1 d PDU B 3
H68A H 0.9342 1.0415 0.4131 0.098 Uiso 0.576(13) 1 calc PR B 3
H68B H 0.9503 0.9734 0.3482 0.098 Uiso 0.576(13) 1 calc PR B 3
Cl3 Cl 1.0607(13) 0.9122(10) 0.4446(7) 0.148(6) Uani 0.576(13) 1 d PDU B 3
Cl4 Cl 0.8074(11) 0.8915(9) 0.3936(7) 0.130(5) Uani 0.576(13) 1 d PDU B 3
C68B C 0.816(2) 0.910(4) 0.3595(16) 0.082 Uani 0.424(13) 1 d PDU B 4
H68C H 0.8280 0.8555 0.3266 0.098 Uiso 0.424(13) 1 calc PR B 4
H68D H 0.7906 0.9679 0.3381 0.098 Uiso 0.424(13) 1 calc PR B 4
Cl3B Cl 0.9478(16) 0.9410(14) 0.4301(9) 0.138(7) Uani 0.424(13) 1 d PDU B 4
Cl4B Cl 0.7160(14) 0.8698(11) 0.4109(7) 0.109(5) Uani 0.424(13) 1 d PDU B 4
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'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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
C47 Au1 P1 174.2(3) . .
C47 Au1 Au2 98.0(3) . .
P1 Au1 Au2 87.02(6) . .
C54 Au2 P2 173.3(4) . .
C54 Au2 Au1 84.9(4) . .
P2 Au2 Au1 101.25(6) . .
C13 P1 C1 102.7(5) . .
C13 P1 C7 104.9(5) . .
C1 P1 C7 107.1(5) . .
C13 P1 Au1 114.6(3) . .
C1 P1 Au1 116.7(3) . .
C7 P1 Au1 109.9(3) . .
C34 P2 C35 103.7(5) . .
C34 P2 C41 104.3(5) . .
C35 P2 C41 106.7(5) . .
C34 P2 Au2 110.4(4) . .
C35 P2 Au2 118.4(3) . .
C41 P2 Au2 112.1(4) . .
C49 O1 C50 109.4(11) . .
C56 O2 C57 127.7(17) . .
C2 C1 C6 118.9(10) . .
C2 C1 P1 120.0(8) . .
C6 C1 P1 121.1(8) . .
C1 C2 C3 120.6(11) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C4 C3 C2 120.9(11) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 118.8(11) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C6 C5 C4 120.5(11) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C1 120.3(10) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
C8 C7 C12 119.2(10) . .
C8 C7 P1 119.7(8) . .
C12 C7 P1 120.6(8) . .
C9 C8 C7 120.7(11) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C10 C9 C8 120.2(11) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 119.5(12) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C10 C11 C12 121.9(12) . .
C10 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C11 C12 C7 118.4(10) . .
C11 C12 H12 120.8 . .
C7 C12 H12 120.8 . .
C14 C13 P1 169.2(10) . .
C13 C14 C15 176.7(12) . .
C20 C15 C16 119.6(10) . .
C20 C15 C14 120.9(11) . .
C16 C15 C14 119.5(11) . .
C15 C16 C17 121.1(12) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C16 C17 C18 119.5(12) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 118.9(10) . .
C19 C18 C21 120.6(11) . .
C17 C18 C21 120.5(11) . .
C18 C19 C20 120.6(12) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C15 C20 C19 120.3(12) . .
C15 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C26 C21 C22 117.6(9) . .
C26 C21 C18 120.5(10) . .
C22 C21 C18 121.9(10) . .
C23 C22 C21 121.9(11) 2_866 .
C23 C22 H22 119.1 2_866 .
C21 C22 H22 119.1 . .
C22 C23 C24 120.3(10) 2_866 .
C22 C23 H23 119.9 2_866 .
C24 C23 H23 119.9 . .
C25 C24 C23 117.5(9) . .
C25 C24 C27 121.5(10) . .
C23 C24 C27 121.0(10) . .
C24 C25 C26 122.1(11) . 2_866
C24 C25 H25 118.9 . .
C26 C25 H25 118.9 2_866 .
C21 C26 C25 120.6(10) . 2_866
C21 C26 H26 119.7 . .
C25 C26 H26 119.7 2_866 .
C28 C27 C32 116.9(9) . .
C28 C27 C24 121.5(10) . .
C32 C27 C24 121.6(10) . .
C29 C28 C27 121.6(10) . .
C29 C28 H28 119.2 . .
C27 C28 H28 119.2 . .
C28 C29 C30 120.4(10) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C29 C30 C31 119.2(9) . .
C29 C30 C33 120.6(10) . .
C31 C30 C33 120.2(10) . .
C32 C31 C30 120.3(11) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C27 121.6(11) . .
C31 C32 H32 119.2 . .
C27 C32 H32 119.2 . .
C34 C33 C30 176.6(11) . .
C33 C34 P2 176.4(11) . .
C36 C35 C40 118.4(10) . .
C36 C35 P2 122.4(8) . .
C40 C35 P2 119.2(8) . .
C35 C36 C37 120.5(10) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C38 C37 C36 119.7(11) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C39 C38 C37 120.0(10) . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C38 C39 C40 120.5(10) . .
C38 C39 H39 119.8 . .
C40 C39 H39 119.8 . .
C39 C40 C35 120.9(10) . .
C39 C40 H40 119.6 . .
C35 C40 H40 119.6 . .
C42 C41 C46 120.2(10) . .
C42 C41 P2 117.6(9) . .
C46 C41 P2 122.1(8) . .
C43 C42 C41 119.8(12) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C42 C43 C44 120.2(12) . .
C42 C43 H43 119.9 . .
C44 C43 H43 119.9 . .
C43 C44 C45 120.1(11) . .
C43 C44 H44 119.9 . .
C45 C44 H44 119.9 . .
C46 C45 C44 119.9(12) . .
C46 C45 H45 120.1 . .
C44 C45 H45 120.1 . .
C45 C46 C41 119.7(11) . .
C45 C46 H46 120.1 . .
C41 C46 H46 120.1 . .
C48 C47 Au1 175.4(10) . .
C47 C48 C49 174.3(13) . .
O1 C49 C48 110.4(11) . .
O1 C49 H49A 109.6 . .
C48 C49 H49A 109.6 . .
O1 C49 H49B 109.6 . .
C48 C49 H49B 109.6 . .
H49A C49 H49B 108.1 . .
C53 C50 C51 115.7(13) . .
C53 C50 C52 111.1(13) . .
C51 C50 C52 109.7(13) . .
C53 C50 O1 92.6(16) . .
C51 C50 O1 104.9(15) . .
C52 C50 O1 122.2(17) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
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 . .
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 176.7(14) . .
C54 C55 C56 173.0(19) . .
O2 C56 C55 109.5(18) . .
O2 C56 H56A 109.8 . .
C55 C56 H56A 109.8 . .
O2 C56 H56B 109.8 . .
C55 C56 H56B 109.8 . .
H56A C56 H56B 108.2 . .
C59 C57 C60 112.9(12) . .
C59 C57 O2 109.2(14) . .
C60 C57 O2 104.2(16) . .
C59 C57 C58 113.8(12) . .
C60 C57 C58 114.1(11) . .
O2 C57 C58 101.4(15) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
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 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C63 C62 H62A 109.5 . .
C63 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C63 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 C63 C62 114(2) . .
C64 C63 H63A 108.7 . .
C62 C63 H63A 108.7 . .
C64 C63 H63B 108.7 . .
C62 C63 H63B 108.7 . .
H63A C63 H63B 107.6 . .
C65 C64 C63 147(3) . .
C65 C64 H64A 100.1 . .
C63 C64 H64A 100.1 . .
C65 C64 H64B 100.1 . .
C63 C64 H64B 100.1 . .
H64A C64 H64B 104.2 . .
C64 C65 C66 138(3) . .
C64 C65 H65A 102.6 . .
C66 C65 H65A 102.6 . .
C64 C65 H65B 102.6 . .
C66 C65 H65B 102.6 . .
H65A C65 H65B 104.9 . .
C65 C66 C67 116(2) . .
C65 C66 H66A 108.3 . .
C67 C66 H66A 108.3 . .
C65 C66 H66B 108.3 . .
C67 C66 H66B 108.3 . .
H66A C66 H66B 107.4 . .
C66 C67 H67A 109.5 . .
C66 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C66 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
Cl1 C61 Cl2 114.5(12) . .
Cl1 C61 H61A 108.6 . .
Cl2 C61 H61A 108.6 . .
Cl1 C61 H61B 108.6 . .
Cl2 C61 H61B 108.6 . .
H61A C61 H61B 107.6 . .
Cl4 C68 Cl3 101.6(15) . .
Cl4 C68 H68A 111.4 . .
Cl3 C68 H68A 111.4 . .
Cl4 C68 H68B 111.4 . .
Cl3 C68 H68B 111.4 . .
H68A C68 H68B 109.3 . .
Cl3B C68B Cl4B 94.5(16) . .
Cl3B C68B H68C 112.8 . .
Cl4B C68B H68C 112.8 . .
Cl3B C68B H68D 112.8 . .
Cl4B C68B H68D 112.8 . .
H68C C68B H68D 110.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C47 1.996(11) . yes
Au1 P1 2.276(2) . yes
Au1 Au2 3.1287(5) . yes
Au2 C54 1.992(14) . yes
Au2 P2 2.262(3) . yes
P1 C13 1.759(10) . ?
P1 C1 1.799(11) . ?
P1 C7 1.807(11) . ?
P2 C34 1.750(10) . ?
P2 C35 1.808(11) . ?
P2 C41 1.811(11) . ?
O1 C49 1.361(16) . ?
O1 C50 1.53(2) . ?
O2 C56 1.22(2) . ?
O2 C57 1.52(2) . ?
C1 C2 1.372(15) . ?
C1 C6 1.394(14) . ?
C2 C3 1.384(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.368(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.392(17) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(16) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.382(14) . ?
C7 C12 1.405(15) . ?
C8 C9 1.381(16) . ?
C8 H8 0.9500 . ?
C9 C10 1.369(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(17) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(17) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.198(14) . ?
C14 C15 1.431(14) . ?
C15 C20 1.370(17) . ?
C15 C16 1.375(17) . ?
C16 C17 1.387(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(17) . ?
C17 H17 0.9500 . ?
C18 C19 1.387(17) . ?
C18 C21 1.487(13) . ?
C19 C20 1.388(14) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.382(16) . ?
C21 C22 1.396(16) . ?
C22 C23 1.385(14) 2_866 ?
C22 H22 0.9500 . ?
C23 C22 1.385(14) 2_866 ?
C23 C24 1.396(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(16) . ?
C24 C27 1.477(13) . ?
C25 C26 1.386(13) 2_866 ?
C25 H25 0.9500 . ?
C26 C25 1.386(13) 2_866 ?
C26 H26 0.9500 . ?
C27 C28 1.402(15) . ?
C27 C32 1.404(15) . ?
C28 C29 1.373(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.383(15) . ?
C29 H29 0.9500 . ?
C30 C31 1.393(15) . ?
C30 C33 1.439(13) . ?
C31 C32 1.371(14) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.195(14) . ?
C35 C36 1.372(15) . ?
C35 C40 1.392(14) . ?
C36 C37 1.408(16) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(16) . ?
C37 H37 0.9500 . ?
C38 C39 1.355(16) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(15) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.393(15) . ?
C41 C46 1.399(16) . ?
C42 C43 1.382(16) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(19) . ?
C43 H43 0.9500 . ?
C44 C45 1.395(19) . ?
C44 H44 0.9500 . ?
C45 C46 1.386(16) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.195(15) . ?
C48 C49 1.473(15) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C53 1.415(18) . ?
C50 C51 1.431(18) . ?
C50 C52 1.460(18) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.181(19) . ?
C55 C56 1.54(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C59 1.480(17) . ?
C57 C60 1.512(17) . ?
C57 C58 1.526(16) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C62 C63 1.51(2) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.51(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.46(2) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.48(2) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.50(2) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C61 Cl1 1.579(19) . ?
C61 Cl2 1.85(2) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C68 Cl4 1.85(2) . ?
C68 Cl3 1.88(2) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68B Cl3B 1.87(2) . ?
C68B Cl4B 1.87(2) . ?
C68B H68C 0.9900 . ?
C68B H68D 0.9900 . ?
