#------------------------------------------------------------------------------
#$Date: 2016-03-24 16:31:00 +0100 (jue 24 de mar de 2016) $
#$Revision: 179688 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/10/7001052.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_7001052
loop_
_publ_author_name
'Hoshino, Manabu'
'Uekusa, Hidehiro'
'Sonoda, Shintaro'
'Otsuka, Takuhiro'
'Kaizu, Youkoh'
_publ_section_title
;
 Photocrystallographic analysis of [AuCl(PPh3)2] for elucidation of the
 crystal packing effect on the photophysical properties
;
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              3085
_journal_page_last               3091
_journal_paper_doi               10.1039/b820066a
_journal_year                    2009
_chemical_formula_sum            'C36 H30 Au Cl P2'
_chemical_formula_weight         756.96
_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                113.2433(14)
_cell_angle_beta                 95.5275(12)
_cell_angle_gamma                109.5034(13)
_cell_formula_units_Z            2
_cell_length_a                   10.8219(3)
_cell_length_b                   11.8053(2)
_cell_length_c                   14.1589(3)
_cell_measurement_temperature    177(2)
_cell_volume                     1511.40(7)
_computing_cell_refinement       'HKL Research, Inc. HKL-2000'
_computing_data_collection       'Rigaku RAPID AUTO'
_computing_data_reduction        'HKL Research, Inc. HKL-2000'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2002 (Giacovazzo, 2003)'
_diffrn_ambient_temperature      177(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode Ultrax18'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42794
_diffrn_reflns_theta_full        32.58
_diffrn_reflns_theta_max         32.58
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    5.085
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.068
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         10819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.209
_refine_ls_R_factor_all          0.0164
_refine_ls_R_factor_gt           0.0160
_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)+(0.0053P)²+1.8022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0479
_refine_ls_wR_factor_ref         0.0481
_reflns_number_gt                10623
_reflns_number_total             10819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820066a.txt
_cod_data_source_block           177Kon
_cod_original_cell_volume        1511.40(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7001052
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 0.211461(7) 0.244479(7) 0.275210(5) 0.02086(2) Uani 1 1 d . . .
P1 P 0.30677(5) 0.09581(5) 0.27637(4) 0.01940(8) Uani 1 1 d . . .
C111 C 0.25591(18) 0.00311(18) 0.35181(14) 0.0202(3) Uani 1 1 d . . .
C112 C 0.3412(2) -0.0430(2) 0.39021(17) 0.0262(4) Uani 1 1 d . . .
H112 H 0.430(3) -0.023(3) 0.376(2) 0.031 Uiso 1 1 d . . .
C113 C 0.3001(2) -0.1145(2) 0.44702(19) 0.0303(4) Uani 1 1 d . . .
H113 H 0.356(3) -0.148(3) 0.473(2) 0.036 Uiso 1 1 d . . .
C114 C 0.1740(2) -0.1390(2) 0.46730(17) 0.0292(4) Uani 1 1 d . . .
H114 H 0.144(3) -0.187(3) 0.508(2) 0.035 Uiso 1 1 d . . .
C115 C 0.0882(2) -0.0938(2) 0.42909(18) 0.0287(4) Uani 1 1 d . . .
H115 H 0.002(3) -0.110(3) 0.442(2) 0.034 Uiso 1 1 d . . .
C116 C 0.12895(19) -0.02161(19) 0.37200(16) 0.0239(3) Uani 1 1 d . . .
H116 H 0.069(3) 0.011(3) 0.352(2) 0.029 Uiso 1 1 d . . .
C121 C 0.29043(19) -0.02858(19) 0.14385(15) 0.0237(3) Uani 1 1 d . . .
C122 C 0.2809(3) -0.1568(2) 0.1208(2) 0.0431(6) Uani 1 1 d . . .
H122 H 0.278(3) -0.186(3) 0.175(3) 0.052 Uiso 1 1 d . . .
C123 C 0.2751(4) -0.2453(3) 0.0186(2) 0.0539(8) Uani 1 1 d . . .
H123 H 0.266(4) -0.337(4) 0.005(3) 0.065 Uiso 1 1 d . . .
C124 C 0.2775(3) -0.2067(3) -0.0610(2) 0.0488(7) Uani 1 1 d . . .
H124 H 0.273(4) -0.265(4) -0.127(3) 0.059 Uiso 1 1 d . . .
C125 C 0.2866(4) -0.0803(4) -0.0387(2) 0.0535(8) Uani 1 1 d . . .
H125 H 0.291(4) -0.049(4) -0.089(3) 0.064 Uiso 1 1 d . . .
C126 C 0.2924(3) 0.0089(3) 0.0628(2) 0.0420(6) Uani 1 1 d . . .
H126 H 0.300(3) 0.094(4) 0.079(3) 0.050 Uiso 1 1 d . . .
C131 C 0.48779(18) 0.19008(18) 0.33322(14) 0.0212(3) Uani 1 1 d . . .
C132 C 0.5829(2) 0.1500(2) 0.28610(17) 0.0296(4) Uani 1 1 d . . .
H132 H 0.555(3) 0.070(3) 0.223(2) 0.036 Uiso 1 1 d . . .
C133 C 0.7201(2) 0.2288(3) 0.33284(19) 0.0343(5) Uani 1 1 d . . .
H133 H 0.786(3) 0.202(3) 0.301(3) 0.041 Uiso 1 1 d . . .
C134 C 0.7628(2) 0.3473(2) 0.42580(19) 0.0331(4) Uani 1 1 d . . .
H134 H 0.856(3) 0.400(3) 0.460(2) 0.040 Uiso 1 1 d . . .
C135 C 0.6688(2) 0.3876(2) 0.47336(18) 0.0325(4) Uani 1 1 d . . .
H135 H 0.692(3) 0.470(3) 0.532(2) 0.039 Uiso 1 1 d . . .
C136 C 0.5316(2) 0.3091(2) 0.42708(16) 0.0279(4) Uani 1 1 d . . .
H136 H 0.466(3) 0.338(3) 0.457(2) 0.033 Uiso 1 1 d . . .
P2 P 0.23161(5) 0.38878(5) 0.19997(4) 0.02108(8) Uani 1 1 d . . .
C211 C 0.39871(19) 0.5266(2) 0.26005(15) 0.0240(3) Uani 1 1 d . . .
C212 C 0.5057(2) 0.5015(3) 0.2942(2) 0.0360(5) Uani 1 1 d . . .
H212 H 0.492(3) 0.420(3) 0.282(3) 0.043 Uiso 1 1 d . . .
C213 C 0.6340(2) 0.6051(3) 0.3461(2) 0.0422(6) Uani 1 1 d . . .
H213 H 0.706(3) 0.587(3) 0.374(3) 0.051 Uiso 1 1 d . . .
C214 C 0.6560(2) 0.7336(3) 0.3623(2) 0.0394(5) Uani 1 1 d . . .
H214 H 0.742(3) 0.804(3) 0.397(3) 0.047 Uiso 1 1 d . . .
C215 C 0.5513(2) 0.7596(2) 0.3273(2) 0.0387(5) Uani 1 1 d . . .
H215 H 0.566(3) 0.849(3) 0.338(3) 0.046 Uiso 1 1 d . . .
C216 C 0.4226(2) 0.6570(2) 0.27729(19) 0.0320(4) Uani 1 1 d . . .
H216 H 0.351(3) 0.678(3) 0.256(2) 0.038 Uiso 1 1 d . . .
C221 C 0.11226(19) 0.46672(19) 0.20617(15) 0.0232(3) Uani 1 1 d . . .
C222 C 0.0945(2) 0.5229(2) 0.13912(18) 0.0311(4) Uani 1 1 d . . .
H222 H 0.144(3) 0.517(3) 0.088(2) 0.037 Uiso 1 1 d . . .
C223 C 0.0063(3) 0.5865(2) 0.1493(2) 0.0354(5) Uani 1 1 d . . .
H223 H -0.002(3) 0.628(3) 0.105(3) 0.042 Uiso 1 1 d . . .
C224 C -0.0656(2) 0.5931(2) 0.2256(2) 0.0351(5) Uani 1 1 d . . .
H224 H -0.127(3) 0.637(3) 0.229(3) 0.042 Uiso 1 1 d . . .
C225 C -0.0490(2) 0.5369(2) 0.2920(2) 0.0341(4) Uani 1 1 d . . .
H225 H -0.099(3) 0.541(3) 0.346(3) 0.041 Uiso 1 1 d . . .
C226 C 0.0397(2) 0.4737(2) 0.28259(17) 0.0275(4) Uani 1 1 d . . .
H226 H 0.051(3) 0.434(3) 0.327(2) 0.033 Uiso 1 1 d . . .
C231 C 0.2212(2) 0.3049(2) 0.05901(16) 0.0261(3) Uani 1 1 d . . .
C232 C 0.3242(3) 0.3466(3) 0.0145(2) 0.0546(9) Uani 1 1 d . . .
H232 H 0.394(4) 0.412(4) 0.049(3) 0.065 Uiso 1 1 d . . .
C233 C 0.3131(4) 0.2738(4) -0.0924(3) 0.0725(13) Uani 1 1 d . . .
H233 H 0.380(5) 0.301(5) -0.122(4) 0.087 Uiso 1 1 d . . .
C234 C 0.1999(3) 0.1583(4) -0.1556(2) 0.0527(7) Uani 1 1 d . . .
H234 H 0.194(4) 0.108(4) -0.229(3) 0.063 Uiso 1 1 d . . .
C235 C 0.0968(3) 0.1167(3) -0.1117(2) 0.0480(6) Uani 1 1 d . . .
H235 H 0.017(4) 0.038(4) -0.155(3) 0.058 Uiso 1 1 d . . .
C236 C 0.1067(3) 0.1896(3) -0.0051(2) 0.0400(5) Uani 1 1 d . . .
H236 H 0.036(3) 0.156(3) 0.026(3) 0.048 Uiso 1 1 d . . .
Cl1 Cl 0.06759(6) 0.26546(6) 0.40740(5) 0.03307(10) 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'
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
_geom_angle_publ_flag
P2 Au1 P1 136.642(16) . . ?
P2 Au1 Cl1 114.189(17) . . ?
P1 Au1 Cl1 108.802(16) . . ?
P2 Au1 Au1 79.889(12) . 2 ?
P1 Au1 Au1 89.970(12) . 2 ?
Cl1 Au1 Au1 111.281(15) . 2 ?
C131 P1 C111 104.11(8) . . ?
C131 P1 C121 104.25(9) . . ?
C111 P1 C121 106.02(9) . . ?
C131 P1 Au1 108.29(6) . . ?
C111 P1 Au1 119.52(6) . . ?
C121 P1 Au1 113.27(7) . . ?
C112 C111 C116 119.40(17) . . ?
C112 C111 P1 121.34(14) . . ?
C116 C111 P1 119.25(14) . . ?
C113 C112 C111 120.47(18) . . ?
C113 C112 H112 121.5(17) . . ?
C111 C112 H112 118.0(17) . . ?
C114 C113 C112 120.21(19) . . ?
C114 C113 H113 118.1(18) . . ?
C112 C113 H113 121.7(18) . . ?
C115 C114 C113 119.69(18) . . ?
C115 C114 H114 118.6(18) . . ?
C113 C114 H114 121.7(18) . . ?
C114 C115 C116 120.43(18) . . ?
C114 C115 H115 120.7(19) . . ?
C116 C115 H115 118.8(19) . . ?
C111 C116 C115 119.78(18) . . ?
C111 C116 H116 123.5(17) . . ?
C115 C116 H116 116.6(17) . . ?
C122 C121 C126 118.5(2) . . ?
C122 C121 P1 123.38(16) . . ?
C126 C121 P1 118.11(17) . . ?
C121 C122 C123 120.6(2) . . ?
C121 C122 H122 120(2) . . ?
C123 C122 H122 119(2) . . ?
C124 C123 C122 120.4(3) . . ?
C124 C123 H123 121(2) . . ?
C122 C123 H123 118(2) . . ?
C125 C124 C123 119.3(2) . . ?
C125 C124 H124 121(2) . . ?
C123 C124 H124 120(2) . . ?
C124 C125 C126 120.9(3) . . ?
C124 C125 H125 122(2) . . ?
C126 C125 H125 117(2) . . ?
C121 C126 C125 120.3(2) . . ?
C121 C126 H126 118(2) . . ?
C125 C126 H126 122(2) . . ?
C136 C131 C132 119.61(18) . . ?
C136 C131 P1 117.34(15) . . ?
C132 C131 P1 123.03(15) . . ?
C133 C132 C131 119.9(2) . . ?
C133 C132 H132 119.5(18) . . ?
C131 C132 H132 120.6(18) . . ?
C134 C133 C132 120.1(2) . . ?
C134 C133 H133 119.4(19) . . ?
C132 C133 H133 120.5(19) . . ?
C133 C134 C135 120.3(2) . . ?
C133 C134 H134 120.7(19) . . ?
C135 C134 H134 118.9(19) . . ?
C136 C135 C134 119.8(2) . . ?
C136 C135 H135 116.4(19) . . ?
C134 C135 H135 123.5(19) . . ?
C135 C136 C131 120.3(2) . . ?
C135 C136 H136 120.4(18) . . ?
C131 C136 H136 119.2(18) . . ?
C221 P2 C211 105.80(9) . . ?
C221 P2 C231 104.47(9) . . ?
C211 P2 C231 105.55(9) . . ?
C221 P2 Au1 119.49(6) . . ?
C211 P2 Au1 109.45(7) . . ?
C231 P2 Au1 111.09(7) . . ?
C212 C211 C216 118.55(19) . . ?
C212 C211 P2 118.32(16) . . ?
C216 C211 P2 123.07(16) . . ?
C211 C212 C213 120.6(2) . . ?
C211 C212 H212 119(2) . . ?
C213 C212 H212 121(2) . . ?
C214 C213 C212 120.1(2) . . ?
C214 C213 H213 120(2) . . ?
C212 C213 H213 119(2) . . ?
C215 C214 C213 120.0(2) . . ?
C215 C214 H214 119(2) . . ?
C213 C214 H214 121(2) . . ?
C214 C215 C216 120.0(2) . . ?
C214 C215 H215 120(2) . . ?
C216 C215 H215 120(2) . . ?
C215 C216 C211 120.7(2) . . ?
C215 C216 H216 118.8(18) . . ?
C211 C216 H216 120.5(18) . . ?
C222 C221 C226 119.40(19) . . ?
C222 C221 P2 121.89(16) . . ?
C226 C221 P2 118.69(15) . . ?
C223 C222 C221 120.1(2) . . ?
C223 C222 H222 121.7(19) . . ?
C221 C222 H222 118.2(19) . . ?
C222 C223 C224 120.2(2) . . ?
C222 C223 H223 119(2) . . ?
C224 C223 H223 120.7(19) . . ?
C225 C224 C223 120.0(2) . . ?
C225 C224 H224 122.4(19) . . ?
C223 C224 H224 117.6(19) . . ?
C224 C225 C226 120.1(2) . . ?
C224 C225 H225 120.6(19) . . ?
C226 C225 H225 119.3(19) . . ?
C225 C226 C221 120.2(2) . . ?
C225 C226 H226 121.0(18) . . ?
C221 C226 H226 118.8(18) . . ?
C236 C231 C232 118.7(2) . . ?
C236 C231 P2 117.75(17) . . ?
C232 C231 P2 123.50(17) . . ?
C231 C232 C233 120.7(3) . . ?
C231 C232 H232 122(3) . . ?
C233 C232 H232 117(3) . . ?
C234 C233 C232 120.5(3) . . ?
C234 C233 H233 118(3) . . ?
C232 C233 H233 121(3) . . ?
C233 C234 C235 119.0(3) . . ?
C233 C234 H234 120(2) . . ?
C235 C234 H234 121(2) . . ?
C234 C235 C236 120.8(3) . . ?
C234 C235 H235 120(2) . . ?
C236 C235 H235 119(2) . . ?
C231 C236 C235 120.3(2) . . ?
C231 C236 H236 120(2) . . ?
C235 C236 H236 120(2) . . ?
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 P2 2.3051(5) . ?
Au1 P1 2.3179(5) . ?
Au1 Cl1 2.5380(5) . ?
Au1 Au1 7.4152(3) 2 ?
P1 C131 1.8048(18) . ?
P1 C111 1.8098(18) . ?
P1 C121 1.8156(19) . ?
C111 C112 1.384(3) . ?
C111 C116 1.389(2) . ?
C112 C113 1.383(3) . ?
C112 H112 0.97(3) . ?
C113 C114 1.381(3) . ?
C113 H113 0.94(3) . ?
C114 C115 1.379(3) . ?
C114 H114 0.96(3) . ?
C115 C116 1.391(3) . ?
C115 H115 0.93(3) . ?
C116 H116 0.93(3) . ?
C121 C122 1.382(3) . ?
C121 C126 1.383(3) . ?
C122 C123 1.390(3) . ?
C122 H122 0.95(4) . ?
C123 C124 1.371(4) . ?
C123 H123 0.99(4) . ?
C124 C125 1.364(5) . ?
C124 H124 0.90(4) . ?
C125 C126 1.387(4) . ?
C125 H125 0.92(4) . ?
C126 H126 0.91(3) . ?
C131 C136 1.387(3) . ?
C131 C132 1.392(3) . ?
C132 C133 1.382(3) . ?
C132 H132 0.94(3) . ?
C133 C134 1.379(3) . ?
C133 H133 0.95(3) . ?
C134 C135 1.384(3) . ?
C134 H134 0.95(3) . ?
C135 C136 1.381(3) . ?
C135 H135 0.93(3) . ?
C136 H136 0.96(3) . ?
P2 C221 1.809(2) . ?
P2 C211 1.813(2) . ?
P2 C231 1.816(2) . ?
C211 C212 1.377(3) . ?
C211 C216 1.387(3) . ?
C212 C213 1.386(3) . ?
C212 H212 0.86(3) . ?
C213 C214 1.373(4) . ?
C213 H213 0.96(4) . ?
C214 C215 1.367(4) . ?
C214 H214 0.93(3) . ?
C215 C216 1.384(3) . ?
C215 H215 0.96(3) . ?
C216 H216 0.94(3) . ?
C221 C222 1.388(3) . ?
C221 C226 1.390(3) . ?
C222 C223 1.384(3) . ?
C222 H222 0.93(3) . ?
C223 C224 1.384(4) . ?
C223 H223 0.94(3) . ?
C224 C225 1.377(3) . ?
C224 H224 0.96(3) . ?
C225 C226 1.386(3) . ?
C225 H225 0.97(3) . ?
C226 H226 0.93(3) . ?
C231 C236 1.376(3) . ?
C231 C232 1.377(3) . ?
C232 C233 1.383(4) . ?
C232 H232 0.80(4) . ?
C233 C234 1.368(5) . ?
C233 H233 0.90(5) . ?
C234 C235 1.372(4) . ?
C234 H234 0.96(4) . ?
C235 C236 1.383(4) . ?
C235 H235 0.94(4) . ?
C236 H236 0.96(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C114 H114 Cl1 0.96(3) 2.74(3) 3.548(2) 142(2) 2_556
C116 H116 Cl1 0.93(3) 2.80(3) 3.522(2) 136(2) .
C226 H226 Cl1 0.93(3) 2.71(3) 3.616(2) 166(2) .
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
_geom_torsion_publ_flag
P2 Au1 P1 C131 60.63(7) . . . . ?
Cl1 Au1 P1 C131 -111.68(6) . . . . ?
Au1 Au1 P1 C131 135.78(6) 2 . . . ?
P2 Au1 P1 C111 179.46(7) . . . . ?
Cl1 Au1 P1 C111 7.14(7) . . . . ?
Au1 Au1 P1 C111 -105.39(7) 2 . . . ?
P2 Au1 P1 C121 -54.47(7) . . . . ?
Cl1 Au1 P1 C121 133.21(7) . . . . ?
Au1 Au1 P1 C121 20.68(7) 2 . . . ?
C131 P1 C111 C112 -33.25(18) . . . . ?
C121 P1 C111 C112 76.40(18) . . . . ?
Au1 P1 C111 C112 -154.18(14) . . . . ?
C131 P1 C111 C116 146.41(15) . . . . ?
C121 P1 C111 C116 -103.95(16) . . . . ?
Au1 P1 C111 C116 25.47(17) . . . . ?
C116 C111 C112 C113 0.8(3) . . . . ?
P1 C111 C112 C113 -179.52(17) . . . . ?
C111 C112 C113 C114 -0.9(3) . . . . ?
C112 C113 C114 C115 1.1(3) . . . . ?
C113 C114 C115 C116 -1.2(3) . . . . ?
C112 C111 C116 C115 -0.9(3) . . . . ?
P1 C111 C116 C115 179.43(16) . . . . ?
C114 C115 C116 C111 1.1(3) . . . . ?
C131 P1 C121 C122 92.5(2) . . . . ?
C111 P1 C121 C122 -17.0(2) . . . . ?
Au1 P1 C121 C122 -150.0(2) . . . . ?
C131 P1 C121 C126 -85.1(2) . . . . ?
C111 P1 C121 C126 165.31(19) . . . . ?
Au1 P1 C121 C126 32.4(2) . . . . ?
C126 C121 C122 C123 0.8(4) . . . . ?
P1 C121 C122 C123 -176.9(3) . . . . ?
C121 C122 C123 C124 -0.6(5) . . . . ?
C122 C123 C124 C125 0.4(6) . . . . ?
C123 C124 C125 C126 -0.5(6) . . . . ?
C122 C121 C126 C125 -0.8(4) . . . . ?
P1 C121 C126 C125 177.0(3) . . . . ?
C124 C125 C126 C121 0.6(5) . . . . ?
C111 P1 C131 C136 -81.03(17) . . . . ?
C121 P1 C131 C136 168.03(15) . . . . ?
Au1 P1 C131 C136 47.15(16) . . . . ?
C111 P1 C131 C132 100.33(18) . . . . ?
C121 P1 C131 C132 -10.62(19) . . . . ?
Au1 P1 C131 C132 -131.50(16) . . . . ?
C136 C131 C132 C133 -0.1(3) . . . . ?
P1 C131 C132 C133 178.53(18) . . . . ?
C131 C132 C133 C134 -0.3(4) . . . . ?
C132 C133 C134 C135 0.5(4) . . . . ?
C133 C134 C135 C136 -0.4(3) . . . . ?
C134 C135 C136 C131 0.0(3) . . . . ?
C132 C131 C136 C135 0.2(3) . . . . ?
P1 C131 C136 C135 -178.46(17) . . . . ?
P1 Au1 P2 C221 170.20(7) . . . . ?
Cl1 Au1 P2 C221 -17.77(8) . . . . ?
Au1 Au1 P2 C221 91.13(7) 2 . . . ?
P1 Au1 P2 C211 -67.69(7) . . . . ?
Cl1 Au1 P2 C211 104.33(7) . . . . ?
Au1 Au1 P2 C211 -146.76(7) 2 . . . ?
P1 Au1 P2 C231 48.48(8) . . . . ?
Cl1 Au1 P2 C231 -139.50(7) . . . . ?
Au1 Au1 P2 C231 -30.59(7) 2 . . . ?
C221 P2 C211 C212 161.52(18) . . . . ?
C231 P2 C211 C212 -88.10(19) . . . . ?
Au1 P2 C211 C212 31.53(19) . . . . ?
C221 P2 C211 C216 -15.6(2) . . . . ?
C231 P2 C211 C216 94.76(19) . . . . ?
Au1 P2 C211 C216 -145.61(17) . . . . ?
C216 C211 C212 C213 0.9(4) . . . . ?
P2 C211 C212 C213 -176.4(2) . . . . ?
C211 C212 C213 C214 -1.1(4) . . . . ?
C212 C213 C214 C215 0.0(4) . . . . ?
C213 C214 C215 C216 1.3(4) . . . . ?
C214 C215 C216 C211 -1.4(4) . . . . ?
C212 C211 C216 C215 0.3(3) . . . . ?
P2 C211 C216 C215 177.46(19) . . . . ?
C211 P2 C221 C222 74.27(19) . . . . ?
C231 P2 C221 C222 -36.9(2) . . . . ?
Au1 P2 C221 C222 -161.83(15) . . . . ?
C211 P2 C221 C226 -103.77(17) . . . . ?
C231 P2 C221 C226 145.08(16) . . . . ?
Au1 P2 C221 C226 20.13(19) . . . . ?
C226 C221 C222 C223 0.7(3) . . . . ?
P2 C221 C222 C223 -177.32(18) . . . . ?
C221 C222 C223 C224 -0.7(4) . . . . ?
C222 C223 C224 C225 0.3(4) . . . . ?
C223 C224 C225 C226 0.0(4) . . . . ?
C224 C225 C226 C221 0.0(4) . . . . ?
C222 C221 C226 C225 -0.4(3) . . . . ?
P2 C221 C226 C225 177.73(18) . . . . ?
C221 P2 C231 C236 -72.9(2) . . . . ?
C211 P2 C231 C236 175.7(2) . . . . ?
Au1 P2 C231 C236 57.2(2) . . . . ?
C221 P2 C231 C232 110.5(3) . . . . ?
C211 P2 C231 C232 -0.8(3) . . . . ?
Au1 P2 C231 C232 -119.4(3) . . . . ?
C236 C231 C232 C233 -0.2(5) . . . . ?
P2 C231 C232 C233 176.3(3) . . . . ?
C231 C232 C233 C234 -0.6(7) . . . . ?
C232 C233 C234 C235 0.8(7) . . . . ?
C233 C234 C235 C236 -0.2(6) . . . . ?
C232 C231 C236 C235 0.8(4) . . . . ?
P2 C231 C236 C235 -175.9(2) . . . . ?
C234 C235 C236 C231 -0.6(5) . . . . ?
