#------------------------------------------------------------------------------
#$Date: 2019-11-24 11:32:24 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237805 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/76/7237614.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_7237614
loop_
_publ_author_name
'Natarajan, Nagarajan'
'Shi, Lin-Xi'
'Xiao, Hui'
'Wang, Jin-Yun'
'Zhang, Li-Yi'
'Zhang, Xu'
'Chen, Zhong-Ning'
_publ_section_title
;
 PtAu3 cluster complexes with narrow-band emissions for solution-processed
 organic light emitting diodes
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2604
_journal_paper_doi               10.1039/C8TC06384B
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C127 H108 Au3 Cl8 N2 O9 P8 Pt'
_chemical_formula_weight         3123.50
_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
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-12-04 deposited with the CCDC.
2019-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.3050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.1619(6)
_cell_length_b                   25.9141(9)
_cell_length_c                   23.8186(10)
_cell_measurement_reflns_used    154804
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.47
_cell_volume                     11731.4(7)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            151555
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.390
_diffrn_reflns_theta_min         2.144
_exptl_absorpt_coefficient_mu    5.280
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_description       block
_exptl_crystal_F_000             6108
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   0.7454
_exptl_transmission_factor_min   0.5279
_refine_diff_density_max         2.232
_refine_diff_density_min         -1.767
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1433
_refine_ls_number_reflns         23878
_refine_ls_number_restraints     283
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0271P)²+87.5080P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0902
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21356
_reflns_number_total             23878
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8tc06384b2.cif
_cod_data_source_block           z
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7237614
_shelx_shelxl_version_number     2016/6
_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   0.227
_shelx_estimated_absorpt_t_max   0.505
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
Pt1 Pt 0.68088(2) 0.59345(2) 0.18619(2) 0.01447(5) Uani 1 1 d . . . . .
Au1 Au 0.71346(2) 0.53225(2) 0.28989(2) 0.01628(5) Uani 1 1 d . . . . .
Au2 Au 0.62054(2) 0.49136(2) 0.37018(2) 0.03106(6) Uani 1 1 d . . . . .
Au3 Au 0.86397(2) 0.50330(2) 0.33008(2) 0.01738(5) Uani 1 1 d . . . . .
Cl1 Cl 0.77517(7) 0.45735(6) 0.40808(6) 0.0283(3) Uani 1 1 d . . . . .
P1 P 0.72737(7) 0.60529(5) 0.34414(6) 0.0184(3) Uani 1 1 d . . . . .
P2 P 0.69112(7) 0.67058(5) 0.23591(6) 0.0170(3) Uani 1 1 d . . . . .
P3 P 0.61663(8) 0.56908(6) 0.41673(7) 0.0278(3) Uani 1 1 d . . . . .
P4 P 0.88191(7) 0.57908(5) 0.38180(6) 0.0185(3) Uani 1 1 d . . . . .
P5 P 0.69753(7) 0.45664(5) 0.23994(6) 0.0154(3) Uani 1 1 d . . . . .
P6 P 0.66654(6) 0.52068(5) 0.12959(6) 0.0150(3) Uani 1 1 d . . . . .
P7 P 0.59117(7) 0.41899(6) 0.31578(6) 0.0214(3) Uani 1 1 d . . . . .
P8 P 0.85159(7) 0.42650(5) 0.27937(6) 0.0155(3) Uani 1 1 d . . . . .
N1 N 0.3237(2) 0.45019(19) 0.1894(2) 0.0247(10) Uani 1 1 d . . . . .
N2 N 1.0903(3) 0.6127(2) 0.1307(3) 0.0395(13) Uani 1 1 d . . . . .
C1 C 0.7463(3) 0.6621(2) 0.3040(2) 0.0213(11) Uani 1 1 d . . . . .
H1A H 0.796114 0.660454 0.296972 0.026 Uiso 1 1 calc R U . . .
H1B H 0.741104 0.692995 0.327556 0.026 Uiso 1 1 calc R U . . .
C2 C 0.6479(3) 0.6211(2) 0.3753(3) 0.0249(12) Uani 1 1 d . . . . .
H2A H 0.657391 0.651765 0.399965 0.030 Uiso 1 1 calc R U . . .
H2B H 0.610242 0.630458 0.344635 0.030 Uiso 1 1 calc R U . . .
C3 C 0.7975(3) 0.5999(2) 0.4031(2) 0.0219(11) Uani 1 1 d . . . . .
H3A H 0.783060 0.574875 0.430847 0.026 Uiso 1 1 calc R U . . .
H3B H 0.804041 0.633793 0.422184 0.026 Uiso 1 1 calc R U . . .
C4 C 0.7090(3) 0.4641(2) 0.1655(2) 0.0178(10) Uani 1 1 d . . . . .
H4A H 0.690444 0.432749 0.144945 0.021 Uiso 1 1 calc R U . . .
H4B H 0.760040 0.465805 0.162629 0.021 Uiso 1 1 calc R U . . .
C5 C 0.6099(3) 0.4299(2) 0.2429(2) 0.0180(10) Uani 1 1 d . . . . .
H5A H 0.605757 0.396730 0.222045 0.022 Uiso 1 1 calc R U . . .
H5B H 0.574351 0.453844 0.223659 0.022 Uiso 1 1 calc R U . . .
C6 C 0.7594(3) 0.40678(19) 0.2685(2) 0.0172(10) Uani 1 1 d . . . . .
H6A H 0.745987 0.395001 0.305145 0.021 Uiso 1 1 calc R U . . .
H6B H 0.754779 0.376913 0.242347 0.021 Uiso 1 1 calc R U . . .
C7 C 0.7382(3) 0.7230(2) 0.2055(3) 0.0227(12) Uani 1 1 d . . . . .
C8 C 0.7682(3) 0.7629(2) 0.2397(3) 0.0274(13) Uani 1 1 d . . . . .
H8A H 0.761593 0.764203 0.278527 0.033 Uiso 1 1 calc R U . . .
C9 C 0.8074(3) 0.8005(2) 0.2172(3) 0.0364(16) Uani 1 1 d . . . . .
H9A H 0.828388 0.827382 0.240702 0.044 Uiso 1 1 calc R U . . .
C10 C 0.8160(3) 0.7992(2) 0.1613(3) 0.0373(16) Uani 1 1 d . . . . .
H10D H 0.843642 0.824975 0.146248 0.045 Uiso 1 1 calc R U . . .
C11 C 0.7847(4) 0.7606(3) 0.1260(3) 0.0415(17) Uani 1 1 d . . . . .
H11A H 0.790039 0.760334 0.086878 0.050 Uiso 1 1 calc R U . . .
C12 C 0.7457(3) 0.7227(2) 0.1485(3) 0.0316(14) Uani 1 1 d . . . . .
H12D H 0.724035 0.696244 0.124667 0.038 Uiso 1 1 calc R U . . .
C13 C 0.6083(3) 0.6987(2) 0.2517(2) 0.0212(11) Uani 1 1 d . . . . .
C14 C 0.6036(3) 0.7268(2) 0.3012(3) 0.0321(14) Uani 1 1 d . . . . .
H14A H 0.644846 0.733667 0.326734 0.039 Uiso 1 1 calc R U . . .
C15 C 0.5388(4) 0.7445(3) 0.3131(3) 0.0412(17) Uani 1 1 d . . . . .
H15A H 0.535494 0.763383 0.346816 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4783(4) 0.7345(3) 0.2755(3) 0.0407(17) Uani 1 1 d . . . . .
H16A H 0.433642 0.745398 0.284299 0.049 Uiso 1 1 calc R U . . .
C17 C 0.4835(3) 0.7091(2) 0.2258(3) 0.0365(16) Uani 1 1 d . . . . .
H17A H 0.442546 0.703790 0.199519 0.044 Uiso 1 1 calc R U . . .
C18 C 0.5482(3) 0.6908(2) 0.2136(3) 0.0275(13) Uani 1 1 d . . . . .
H18A H 0.551155 0.672993 0.179133 0.033 Uiso 1 1 calc R U . . .
C19 C 0.5276(4) 0.5893(3) 0.4260(3) 0.0383(16) Uani 1 1 d . . . . .
C20 C 0.4825(4) 0.5528(4) 0.4408(4) 0.055(2) Uani 1 1 d . . . . .
H20A H 0.497760 0.518090 0.446873 0.066 Uiso 1 1 calc R U . . .
C21 C 0.4135(5) 0.5667(4) 0.4472(5) 0.072(3) Uani 1 1 d . . . . .
H21A H 0.382447 0.541249 0.458652 0.087 Uiso 1 1 calc R U . . .
C22 C 0.3896(5) 0.6156(5) 0.4373(5) 0.074(3) Uani 1 1 d . . . . .
H22A H 0.342544 0.624376 0.442119 0.089 Uiso 1 1 calc R U . . .
C23 C 0.4335(5) 0.6518(4) 0.4206(4) 0.065(3) Uani 1 1 d . . . . .
H23A H 0.417204 0.686053 0.413268 0.078 Uiso 1 1 calc R U . . .
C24 C 0.5025(4) 0.6390(3) 0.4140(4) 0.0481(19) Uani 1 1 d . . . . .
H24A H 0.532696 0.664388 0.401249 0.058 Uiso 1 1 calc R U . . .
C25 C 0.6696(3) 0.5723(2) 0.4851(3) 0.0310(14) Uani 1 1 d . . . . .
C26 C 0.6748(4) 0.6188(3) 0.5156(3) 0.0446(18) Uani 1 1 d . . . . .
H26A H 0.648205 0.648079 0.501715 0.054 Uiso 1 1 calc R U . . .
C27 C 0.7186(5) 0.6212(4) 0.5655(3) 0.061(2) Uani 1 1 d . . . . .
H27A H 0.722905 0.652712 0.586017 0.073 Uiso 1 1 calc R U . . .
C28 C 0.7566(4) 0.5790(4) 0.5867(3) 0.053(2) Uani 1 1 d . . . . .
H28A H 0.787352 0.581532 0.621140 0.064 Uiso 1 1 calc R U . . .
C29 C 0.7500(4) 0.5329(4) 0.5576(3) 0.0489(19) Uani 1 1 d . . . . .
H29A H 0.775311 0.503385 0.572352 0.059 Uiso 1 1 calc R U . . .
C30 C 0.7062(4) 0.5299(3) 0.5066(3) 0.0405(16) Uani 1 1 d . . . . .
H30A H 0.701637 0.498162 0.486514 0.049 Uiso 1 1 calc R U . . .
C31 C 0.9367(3) 0.5736(2) 0.4495(3) 0.0258(12) Uani 1 1 d . . . . .
C32 C 0.9124(4) 0.5459(3) 0.4927(3) 0.0368(15) Uani 1 1 d . . . . .
H32A H 0.868086 0.528976 0.486472 0.044 Uiso 1 1 calc R U . . .
C33 C 0.9532(4) 0.5431(3) 0.5453(3) 0.0447(18) Uani 1 1 d . . . . .
H33A H 0.935913 0.525218 0.575553 0.054 Uiso 1 1 calc R U . . .
C34 C 1.0177(5) 0.5658(3) 0.5535(3) 0.057(2) Uani 1 1 d . . . . .
H34A H 1.044971 0.564113 0.589729 0.068 Uiso 1 1 calc R U . . .
C35 C 1.0442(4) 0.5914(3) 0.5093(4) 0.054(2) Uani 1 1 d . . . . .
H35A H 1.090208 0.605755 0.514850 0.065 Uiso 1 1 calc R U . . .
C36 C 1.0036(4) 0.5958(3) 0.4579(3) 0.0406(17) Uani 1 1 d . . . . .
H36A H 1.020919 0.614029 0.427967 0.049 Uiso 1 1 calc R U . . .
C37 C 0.9136(3) 0.6354(2) 0.3481(3) 0.0242(12) Uani 1 1 d . . . . .
C38 C 0.9127(3) 0.6833(2) 0.3755(3) 0.0302(13) Uani 1 1 d . . . . .
H38A H 0.899453 0.685509 0.412501 0.036 Uiso 1 1 calc R U . . .
C39 C 0.9315(4) 0.7272(2) 0.3478(3) 0.0420(17) Uani 1 1 d . . . . .
H39A H 0.931471 0.759702 0.366378 0.050 Uiso 1 1 calc R U . . .
C40 C 0.9497(6) 0.7247(3) 0.2951(4) 0.064(3) Uani 1 1 d . . . . .
H40A H 0.963466 0.755107 0.277087 0.077 Uiso 1 1 calc R U . . .
C41 C 0.9484(6) 0.6782(3) 0.2672(4) 0.070(3) Uani 1 1 d . . . . .
H41A H 0.958577 0.676762 0.229239 0.085 Uiso 1 1 calc R U . . .
C42 C 0.9323(4) 0.6332(3) 0.2945(3) 0.0419(17) Uani 1 1 d . . . . .
H42A H 0.934259 0.600896 0.276048 0.050 Uiso 1 1 calc R U . . .
C43 C 0.5768(3) 0.5017(2) 0.1040(2) 0.0193(11) Uani 1 1 d . . . . .
C44 C 0.5280(3) 0.5403(2) 0.0861(2) 0.0230(12) Uani 1 1 d . . . . .
H44A H 0.540676 0.575551 0.091173 0.028 Uiso 1 1 calc R U . . .
C45 C 0.4609(3) 0.5271(3) 0.0609(2) 0.0285(13) Uani 1 1 d . . . . .
H45A H 0.427988 0.553515 0.048656 0.034 Uiso 1 1 calc R U . . .
C46 C 0.4418(3) 0.4760(3) 0.0537(2) 0.0304(14) Uani 1 1 d . . . . .
H46A H 0.395763 0.467349 0.036542 0.036 Uiso 1 1 calc R U . . .
C47 C 0.4890(3) 0.4372(2) 0.0713(3) 0.0280(13) Uani 1 1 d . . . . .
H47A H 0.475482 0.402088 0.066353 0.034 Uiso 1 1 calc R U . . .
C48 C 0.5570(3) 0.4500(2) 0.0964(2) 0.0224(11) Uani 1 1 d . . . . .
H48A H 0.589787 0.423412 0.108292 0.027 Uiso 1 1 calc R U . . .
C49 C 0.7075(2) 0.5229(2) 0.0645(2) 0.0172(10) Uani 1 1 d . . . . .
C50 C 0.7217(3) 0.5704(2) 0.0411(2) 0.0224(11) Uani 1 1 d . . . . .
H50A H 0.711511 0.601520 0.059592 0.027 Uiso 1 1 calc R U . . .
C51 C 0.7508(3) 0.5722(2) -0.0093(3) 0.0274(13) Uani 1 1 d . . . . .
H51A H 0.760758 0.604582 -0.025185 0.033 Uiso 1 1 calc R U . . .
C52 C 0.7655(3) 0.5269(2) -0.0365(2) 0.0266(12) Uani 1 1 d . . . . .
H52A H 0.786004 0.528246 -0.070775 0.032 Uiso 1 1 calc R U . . .
C53 C 0.7504(3) 0.4797(2) -0.0138(3) 0.0287(13) Uani 1 1 d . . . . .
H53A H 0.760077 0.448712 -0.032677 0.034 Uiso 1 1 calc R U . . .
C54 C 0.7210(3) 0.4774(2) 0.0366(2) 0.0244(12) Uani 1 1 d . . . . .
H54A H 0.710249 0.444922 0.051912 0.029 Uiso 1 1 calc R U . . .
C55 C 0.6355(3) 0.3594(2) 0.3393(3) 0.0293(14) Uani 1 1 d . . . . .
C56 C 0.6585(4) 0.3536(3) 0.3967(4) 0.055(2) Uani 1 1 d . . . . .
H56A H 0.651550 0.379985 0.423030 0.065 Uiso 1 1 calc R U . . .
C57 C 0.6922(5) 0.3072(5) 0.4142(5) 0.084(4) Uani 1 1 d . . . . .
H57A H 0.709154 0.302192 0.453110 0.100 Uiso 1 1 calc R U . . .
C58 C 0.7009(5) 0.2694(4) 0.3765(7) 0.096(5) Uani 1 1 d . . . . .
H58A H 0.723542 0.238251 0.389553 0.115 Uiso 1 1 calc R U . . .
C59 C 0.6785(4) 0.2749(3) 0.3210(5) 0.064(3) Uani 1 1 d . . . . .
H59A H 0.685598 0.248045 0.295173 0.077 Uiso 1 1 calc R U . . .
C60 C 0.6447(3) 0.3202(2) 0.3017(3) 0.0363(16) Uani 1 1 d . . . . .
H60A H 0.627928 0.324186 0.262614 0.044 Uiso 1 1 calc R U . . .
C61 C 0.4981(3) 0.4036(2) 0.3109(2) 0.0233(12) Uani 1 1 d . . . . .
C62 C 0.4713(3) 0.3589(3) 0.2853(3) 0.0350(15) Uani 1 1 d . . . . .
H62A H 0.500934 0.336362 0.267562 0.042 Uiso 1 1 calc R U . . .
C63 C 0.4000(3) 0.3469(3) 0.2856(3) 0.0387(16) Uani 1 1 d . . . . .
H63A H 0.381339 0.315942 0.268332 0.046 Uiso 1 1 calc R U . . .
C64 C 0.3570(3) 0.3799(3) 0.3109(3) 0.0341(14) Uani 1 1 d . . . . .
H64A H 0.308909 0.371299 0.311333 0.041 Uiso 1 1 calc R U . . .
C65 C 0.3830(3) 0.4249(3) 0.3353(3) 0.0343(14) Uani 1 1 d . . . . .
H65A H 0.352743 0.447616 0.352094 0.041 Uiso 1 1 calc R U . . .
C66 C 0.4539(3) 0.4374(2) 0.3357(3) 0.0279(13) Uani 1 1 d . . . . .
H66A H 0.472036 0.468660 0.352666 0.033 Uiso 1 1 calc R U . . .
C67 C 0.8934(3) 0.3702(2) 0.3154(2) 0.0220(11) Uani 1 1 d . . . . .
C68 C 0.9578(3) 0.3524(2) 0.3017(3) 0.0304(13) Uani 1 1 d . . . . .
H68A H 0.979785 0.369114 0.273087 0.037 Uiso 1 1 calc R U . . .
C69 C 0.9896(3) 0.3101(3) 0.3302(3) 0.0401(16) Uani 1 1 d . . . . .
H69A H 1.033241 0.297699 0.320637 0.048 Uiso 1 1 calc R U . . .
C70 C 0.9587(4) 0.2862(3) 0.3717(4) 0.049(2) Uani 1 1 d . . . . .
H70A H 0.981023 0.257441 0.391088 0.059 Uiso 1 1 calc R U . . .
C71 C 0.8947(4) 0.3038(3) 0.3857(4) 0.048(2) Uani 1 1 d . . . . .
H71A H 0.873243 0.286951 0.414546 0.058 Uiso 1 1 calc R U . . .
C72 C 0.8619(3) 0.3459(2) 0.3578(3) 0.0335(14) Uani 1 1 d . . . . .
H72A H 0.818248 0.358086 0.367506 0.040 Uiso 1 1 calc R U . . .
C73 C 0.8765(3) 0.4267(2) 0.2088(2) 0.0183(11) Uani 1 1 d . . . . .
C74 C 0.8684(3) 0.3816(2) 0.1753(2) 0.0246(12) Uani 1 1 d . . . . .
H74A H 0.857077 0.349783 0.191700 0.030 Uiso 1 1 calc R U . . .
C75 C 0.8771(3) 0.3838(3) 0.1187(3) 0.0324(14) Uani 1 1 d . . . . .
H75A H 0.871582 0.353467 0.096213 0.039 Uiso 1 1 calc R U . . .
C76 C 0.8937(3) 0.4301(3) 0.0946(3) 0.0360(15) Uani 1 1 d . . . . .
H76A H 0.898878 0.431295 0.055447 0.043 Uiso 1 1 calc R U . . .
C77 C 0.9027(3) 0.4745(3) 0.1265(3) 0.0333(14) Uani 1 1 d . . . . .
H77A H 0.915237 0.505918 0.109830 0.040 Uiso 1 1 calc R U . . .
C78 C 0.8934(3) 0.4729(2) 0.1837(2) 0.0241(12) Uani 1 1 d . . . . .
H78A H 0.898646 0.503568 0.205671 0.029 Uiso 1 1 calc R U . . .
C79 C 0.5877(3) 0.5763(2) 0.2119(2) 0.0189(11) Uani 1 1 d . . . . .
C80 C 0.5328(3) 0.5621(2) 0.2268(2) 0.0210(11) Uani 1 1 d . . . . .
C81 C 0.4637(3) 0.5456(2) 0.2369(2) 0.0231(12) Uani 1 1 d . . . . .
C82 C 0.4261(3) 0.5723(2) 0.2751(3) 0.0273(13) Uani 1 1 d . . . . .
H82A H 0.448133 0.600099 0.296423 0.033 Uiso 1 1 calc R U . . .
C83 C 0.3577(3) 0.5587(2) 0.2820(3) 0.0292(13) Uani 1 1 d . . . . .
H83A H 0.333083 0.577196 0.307805 0.035 Uiso 1 1 calc R U . . .
C84 C 0.3252(3) 0.5177(2) 0.2510(2) 0.0236(12) Uani 1 1 d . . . . .
C85 C 0.2570(3) 0.4932(2) 0.2458(3) 0.0267(13) Uani 1 1 d . . . . .
C86 C 0.1942(3) 0.5042(3) 0.2722(3) 0.0307(14) Uani 1 1 d . . . . .
C87 C 0.1920(4) 0.5424(3) 0.3128(3) 0.0409(17) Uani 1 1 d . . . . .
H87A H 0.233375 0.561817 0.324534 0.049 Uiso 1 1 calc R U . . .
C88 C 0.1312(4) 0.5530(3) 0.3369(3) 0.0471(19) Uani 1 1 d . . . . .
H88A H 0.130629 0.579275 0.364670 0.057 Uiso 1 1 calc R U . . .
C89 C 0.0704(3) 0.5238(3) 0.3192(3) 0.0450(18) Uani 1 1 d . . . . .
H89A H 0.028206 0.530854 0.334794 0.054 Uiso 1 1 calc R U . . .
C90 C 0.0711(3) 0.4857(3) 0.2802(3) 0.0357(15) Uani 1 1 d . . . . .
H90A H 0.029545 0.466090 0.269842 0.043 Uiso 1 1 calc R U . . .
C91 C 0.1327(3) 0.4743(2) 0.2544(3) 0.0321(14) Uani 1 1 d . . . . .
C92 C 0.1331(3) 0.4349(2) 0.2103(3) 0.0305(14) Uani 1 1 d . . . . .
C93 C 0.0706(3) 0.4090(3) 0.1882(3) 0.0384(17) Uani 1 1 d . . . . .
H93A H 0.027964 0.417028 0.202714 0.046 Uiso 1 1 calc R U . . .
C94 C 0.0698(3) 0.3724(2) 0.1463(4) 0.0437(19) Uani 1 1 d . . . . .
H94A H 0.027014 0.355766 0.132095 0.052 Uiso 1 1 calc R U . . .
C95 C 0.1328(3) 0.3594(3) 0.1243(3) 0.0410(17) Uani 1 1 d . . . . .
H95A H 0.133889 0.333397 0.096315 0.049 Uiso 1 1 calc R U . . .
C96 C 0.1878(3) 0.3843(3) 0.1436(3) 0.0380(16) Uani 1 1 d . . . . .
H96A H 0.228963 0.376391 0.126950 0.046 Uiso 1 1 calc DR U . . .
C97 C 0.1958(3) 0.4226(2) 0.1873(3) 0.0288(13) Uani 1 1 d . . . . .
C98 C 0.2580(3) 0.4530(2) 0.2076(3) 0.0249(12) Uani 1 1 d . . . . .
C99 C 0.3642(3) 0.4899(2) 0.2147(2) 0.0236(12) Uani 1 1 d . . . . .
C100 C 0.4328(3) 0.5037(2) 0.2070(2) 0.0220(11) Uani 1 1 d . . . . .
H10E H 0.457818 0.484817 0.181806 0.026 Uiso 1 1 calc R U . . .
C101 C 0.3593(3) 0.4098(3) 0.1593(3) 0.0362(15) Uani 1 1 d . . . . .
H10A H 0.324580 0.384154 0.143456 0.054 Uiso 1 1 calc DR U . . .
H10B H 0.381304 0.425643 0.128572 0.054 Uiso 1 1 calc R U . . .
H10C H 0.395371 0.392847 0.185824 0.054 Uiso 1 1 calc R U . . .
C102 C 0.7785(3) 0.6040(2) 0.1649(2) 0.0221(11) Uani 1 1 d . . . . .
C103 C 0.8352(3) 0.6102(2) 0.1494(3) 0.0297(14) Uani 1 1 d . . . . .
C104 C 0.8973(3) 0.6240(3) 0.1229(3) 0.0395(12) Uani 1 1 d . U . . .
C105 C 0.8885(4) 0.6560(3) 0.0741(3) 0.0427(13) Uani 1 1 d . U . . .
H10G H 0.842251 0.666654 0.059836 0.051 Uiso 1 1 calc R U . . .
C106 C 0.9442(4) 0.6726(3) 0.0459(3) 0.0415(12) Uani 1 1 d . U . . .
H10H H 0.936536 0.693845 0.013237 0.050 Uiso 1 1 calc R U . . .
C107 C 1.0107(4) 0.6566(3) 0.0679(3) 0.0394(11) Uani 1 1 d . U . . .
C108 C 1.0827(4) 0.6654(3) 0.0548(3) 0.0377(10) Uani 1 1 d . U . . .
C109 C 1.1091(4) 0.6979(3) 0.0091(3) 0.0381(11) Uani 1 1 d . U . . .
C110 C 1.0672(4) 0.7296(3) -0.0275(3) 0.0481(13) Uani 1 1 d . U . . .
H11B H 1.017894 0.730505 -0.026010 0.058 Uiso 1 1 calc R U . . .
C111 C 1.0950(4) 0.7592(3) -0.0653(4) 0.0533(14) Uani 1 1 d . U . . .
H11C H 1.065043 0.781423 -0.089227 0.064 Uiso 1 1 calc R U . . .
C112 C 1.1697(4) 0.7581(3) -0.0704(4) 0.0507(14) Uani 1 1 d . U . . .
H11D H 1.188826 0.778591 -0.097802 0.061 Uiso 1 1 calc R U . . .
C113 C 1.2116(4) 0.7263(3) -0.0343(3) 0.0366(12) Uani 1 1 d . U . . .
H11E H 1.260720 0.724872 -0.036570 0.044 Uiso 1 1 calc R U . . .
C114 C 1.1827(3) 0.6959(2) 0.0061(3) 0.0312(10) Uani 1 1 d . U . . .
C115 C 1.2269(4) 0.6638(2) 0.0466(3) 0.0322(10) Uani 1 1 d . U . . .
C116 C 1.2993(4) 0.6598(3) 0.0447(3) 0.0389(12) Uani 1 1 d . U . . .
H11F H 1.317381 0.673822 0.012619 0.047 Uiso 1 1 calc R U . . .
C117 C 1.3472(4) 0.6367(3) 0.0865(3) 0.0451(13) Uani 1 1 d . U . . .
H11G H 1.396135 0.636650 0.083337 0.054 Uiso 1 1 calc R U . . .
C118 C 1.3236(4) 0.6152(3) 0.1299(4) 0.0484(13) Uani 1 1 d . U . . .
H11H H 1.355796 0.600089 0.158874 0.058 Uiso 1 1 calc R U . . .
C119 C 1.2586(3) 0.6142(3) 0.1340(3) 0.0429(12) Uani 1 1 d . U . . .
H11I H 1.244649 0.597103 0.166073 0.051 Uiso 1 1 calc DR U . . .
C120 C 1.2008(4) 0.6378(3) 0.0927(3) 0.0379(11) Uani 1 1 d . U . . .
C121 C 1.1279(4) 0.6381(3) 0.0924(3) 0.0393(12) Uani 1 1 d . U . . .
C122 C 1.0223(3) 0.6251(3) 0.1148(3) 0.0359(11) Uani 1 1 d . U . . .
C123 C 0.9630(3) 0.6067(3) 0.1443(3) 0.0405(12) Uani 1 1 d . U . . .
H12E H 0.970160 0.584240 0.176105 0.049 Uiso 1 1 calc R U . . .
C124 C 1.1082(4) 0.5721(3) 0.1730(4) 0.061(2) Uani 1 1 d . . . . .
H12A H 1.159407 0.567943 0.179758 0.091 Uiso 1 1 calc DR U . . .
H12B H 1.090682 0.581821 0.208489 0.091 Uiso 1 1 calc R U . . .
H12C H 1.086452 0.539566 0.159175 0.091 Uiso 1 1 calc R U . . .
Cl2 Cl 0.65328(10) 0.18677(6) 0.63088(8) 0.0422(4) Uani 1 1 d . . . . .
O1 O 0.6471(4) 0.2346(2) 0.6053(4) 0.090(3) Uani 1 1 d . . . . .
O2 O 0.7112(4) 0.1912(3) 0.6791(3) 0.083(2) Uani 1 1 d . . . . .
O3 O 0.5895(3) 0.1701(2) 0.6524(2) 0.0508(14) Uani 1 1 d . . . . .
O4 O 0.6779(3) 0.1479(2) 0.5958(3) 0.0589(16) Uani 1 1 d . . . . .
Cl3 Cl 0.26016(12) 0.24329(7) 0.55396(8) 0.0508(5) Uani 1 1 d . . . . .
O5 O 0.2553(4) 0.2036(3) 0.5163(3) 0.083(2) Uani 1 1 d . . . . .
O7 O 0.2130(6) 0.2837(4) 0.5330(4) 0.131(4) Uani 1 1 d . . . . .
O6 O 0.3312(4) 0.2667(3) 0.5551(3) 0.080(2) Uani 1 1 d . . . . .
O8 O 0.2504(5) 0.2303(4) 0.6094(3) 0.109(3) Uani 1 1 d . . . . .
C01 C 0.1984(4) 0.7253(4) 0.2758(6) 0.150(6) Uani 0.366(7) 1 d D U P A 1
H01A H 0.173163 0.723759 0.309528 0.181 Uiso 0.366(7) 1 calc R U P A 1
H01B H 0.223964 0.758504 0.276774 0.181 Uiso 0.366(7) 1 calc R U P A 1
Cl4 Cl 0.25921(17) 0.67461(11) 0.27895(16) 0.0991(10) Uani 0.366(7) 1 d D U P A
1
Cl5 Cl 0.1395(4) 0.7232(3) 0.2173(3) 0.089(3) Uani 0.366(7) 1 d D U P A 1
C01' C 0.1984(4) 0.7253(4) 0.2758(6) 0.150(6) Uani 0.634(7) 1 d D U P A 2
H01C H 0.208811 0.746741 0.310192 0.181 Uiso 0.634(7) 1 calc R U P A 2
H01D H 0.204297 0.747231 0.242710 0.181 Uiso 0.634(7) 1 calc R U P A 2
Cl4' Cl 0.25921(17) 0.67461(11) 0.27895(16) 0.0991(10) Uani 0.634(7) 1 d D U P
A 2
Cl5' Cl 0.1116(2) 0.7049(2) 0.2704(2) 0.0914(18) Uani 0.634(7) 1 d D U P A 2
Cl8 Cl 0.05226(15) 0.51163(11) 0.04760(14) 0.1090(13) Uani 1 1 d D U . . .
Cl7 Cl 0.4428(5) 0.17403(19) 0.4570(3) 0.207(3) Uani 1 1 d . . . . .
Cl6 Cl 0.4593(5) 0.2800(3) 0.4269(3) 0.245(4) Uani 1 1 d . . . . .
C03 C 0.0253(5) 0.4632(4) -0.0013(4) 0.123(5) Uani 1 1 d D U . . .
H03A H 0.012645 0.431605 0.018452 0.147 Uiso 1 1 calc R U . . .
H03B H 0.063598 0.454707 -0.023987 0.147 Uiso 1 1 calc R U . . .
C02 C 0.4701(15) 0.2309(8) 0.4852(10) 0.221(13) Uani 1 1 d . . . . .
H02A H 0.520090 0.228624 0.501777 0.265 Uiso 1 1 calc R U . . .
H02B H 0.441757 0.240708 0.515476 0.265 Uiso 1 1 calc R U . . .
O01 O 0.2183(7) 0.6081(6) 0.4742(6) 0.185(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'
N N 0.0061 0.0033 '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'
Pt Pt -1.7033 8.3905 '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_3
C79 Pt1 C102 173.9(2) .
C79 Pt1 P6 87.29(15) .
C102 Pt1 P6 90.54(15) .
C79 Pt1 P2 93.21(15) .
C102 Pt1 P2 89.45(15) .
P6 Pt1 P2 174.90(5) .
C79 Pt1 Au1 74.07(15) .
C102 Pt1 Au1 100.38(16) .
P6 Pt1 Au1 92.68(3) .
P2 Pt1 Au1 92.34(4) .
P1 Au1 P5 176.70(5) .
P1 Au1 Pt1 91.45(4) .
P5 Au1 Pt1 91.43(3) .
P1 Au1 Au2 88.16(4) .
P5 Au1 Au2 88.74(3) .
Pt1 Au1 Au2 130.852(9) .
P1 Au1 Au3 89.34(3) .
P5 Au1 Au3 90.63(3) .
Pt1 Au1 Au3 119.607(8) .
Au2 Au1 Au3 109.533(9) .
P3 Au2 P7 163.65(6) .
P3 Au2 Au1 93.26(4) .
P7 Au2 Au1 92.97(4) .
P4 Au3 P8 177.30(5) .
P4 Au3 Cl1 93.79(5) .
P8 Au3 Cl1 87.27(4) .
P4 Au3 Au1 91.67(3) .
P8 Au3 Au1 91.02(3) .
Cl1 Au3 Au1 72.12(3) .
C1 P1 C3 106.9(3) .
C1 P1 C2 105.4(3) .
C3 P1 C2 106.0(3) .
C1 P1 Au1 112.94(19) .
C3 P1 Au1 113.16(18) .
C2 P1 Au1 111.89(19) .
C13 P2 C7 105.6(2) .
C13 P2 C1 106.5(3) .
C7 P2 C1 100.4(3) .
C13 P2 Pt1 115.43(19) .
C7 P2 Pt1 116.9(2) .
C1 P2 Pt1 110.50(18) .
C25 P3 C2 105.6(3) .
C25 P3 C19 107.7(3) .
C2 P3 C19 103.3(3) .
C25 P3 Au2 115.1(2) .
C2 P3 Au2 110.77(19) .
C19 P3 Au2 113.4(2) .
C37 P4 C31 105.6(3) .
C37 P4 C3 104.1(3) .
C31 P4 C3 102.0(3) .
C37 P4 Au3 118.9(2) .
C31 P4 Au3 115.80(19) .
C3 P4 Au3 108.60(18) .
C4 P5 C6 106.5(2) .
C4 P5 C5 107.6(2) .
C6 P5 C5 105.9(2) .
C4 P5 Au1 112.95(18) .
C6 P5 Au1 111.98(17) .
C5 P5 Au1 111.55(18) .
C43 P6 C49 102.4(2) .
C43 P6 C4 106.5(2) .
C49 P6 C4 102.0(2) .
C43 P6 Pt1 116.91(18) .
C49 P6 Pt1 115.92(18) .
C4 P6 Pt1 111.54(18) .
C55 P7 C61 104.5(3) .
C55 P7 C5 106.4(3) .
C61 P7 C5 106.3(2) .
C55 P7 Au2 116.5(2) .
C61 P7 Au2 112.4(2) .
C5 P7 Au2 110.03(18) .
C73 P8 C67 106.7(3) .
C73 P8 C6 103.5(2) .
C67 P8 C6 101.7(2) .
C73 P8 Au3 117.41(18) .
C67 P8 Au3 115.50(19) .
C6 P8 Au3 110.28(17) .
C99 N1 C98 107.9(5) .
C99 N1 C101 118.0(4) .
C98 N1 C101 132.9(5) .
C122 N2 C121 105.2(6) .
C122 N2 C124 119.8(6) .
C121 N2 C124 133.8(6) .
P1 C1 P2 115.5(3) .
P3 C2 P1 113.8(3) .
P1 C3 P4 113.5(3) .
P5 C4 P6 115.8(3) .
P5 C5 P7 112.7(3) .
P8 C6 P5 115.2(3) .
C12 C7 C8 119.5(5) .
C12 C7 P2 120.1(4) .
C8 C7 P2 120.5(5) .
C9 C8 C7 120.1(6) .
C10 C9 C8 120.1(6) .
C9 C10 C11 120.7(6) .
C12 C11 C10 119.3(7) .
C11 C12 C7 120.2(6) .
C18 C13 C14 119.5(5) .
C18 C13 P2 118.5(4) .
C14 C13 P2 122.0(4) .
C15 C14 C13 119.9(6) .
C14 C15 C16 120.0(6) .
C17 C16 C15 119.9(6) .
C16 C17 C18 120.6(6) .
C13 C18 C17 120.0(6) .
C20 C19 C24 119.0(7) .
C20 C19 P3 117.8(6) .
C24 C19 P3 123.0(6) .
C19 C20 C21 119.4(9) .
C22 C21 C20 121.6(9) .
C23 C22 C21 119.2(8) .
C22 C23 C24 120.3(9) .
C23 C24 C19 120.3(8) .
C30 C25 C26 119.8(6) .
C30 C25 P3 120.2(5) .
C26 C25 P3 120.0(5) .
C27 C26 C25 118.9(8) .
C26 C27 C28 121.4(8) .
C27 C28 C29 119.6(7) .
C28 C29 C30 119.8(8) .
C25 C30 C29 120.4(7) .
C32 C31 C36 119.9(6) .
C32 C31 P4 119.4(5) .
C36 C31 P4 120.8(5) .
C31 C32 C33 119.6(7) .
C34 C33 C32 120.2(7) .
C33 C34 C35 120.6(7) .
C36 C35 C34 119.7(7) .
C35 C36 C31 120.0(7) .
C42 C37 C38 119.4(6) .
C42 C37 P4 121.5(5) .
C38 C37 P4 118.8(5) .
C39 C38 C37 119.1(6) .
C40 C39 C38 121.1(7) .
C39 C40 C41 120.1(7) .
C40 C41 C42 120.1(8) .
C37 C42 C41 120.2(7) .
C44 C43 C48 119.1(5) .
C44 C43 P6 118.5(4) .
C48 C43 P6 122.1(4) .
C45 C44 C43 120.2(6) .
C46 C45 C44 120.3(6) .
C47 C46 C45 120.5(5) .
C46 C47 C48 119.7(6) .
C43 C48 C47 120.1(5) .
C50 C49 C54 120.0(5) .
C50 C49 P6 119.6(4) .
C54 C49 P6 120.3(4) .
C51 C50 C49 119.7(5) .
C50 C51 C52 120.3(5) .
C53 C52 C51 120.0(5) .
C52 C53 C54 120.3(5) .
C53 C54 C49 119.7(5) .
C60 C55 C56 120.4(7) .
C60 C55 P7 121.2(5) .
C56 C55 P7 118.3(6) .
C55 C56 C57 117.6(10) .
C58 C57 C56 120.8(10) .
C59 C58 C57 121.7(8) .
C58 C59 C60 119.5(10) .
C55 C60 C59 119.9(8) .
C62 C61 C66 120.1(5) .
C62 C61 P7 121.3(4) .
C66 C61 P7 118.5(4) .
C61 C62 C63 119.5(6) .
C64 C63 C62 120.1(6) .
C65 C64 C63 120.6(6) .
C64 C65 C66 120.2(6) .
C65 C66 C61 119.4(6) .
C72 C67 C68 119.8(5) .
C72 C67 P8 119.9(4) .
C68 C67 P8 120.2(5) .
C69 C68 C67 119.6(6) .
C70 C69 C68 120.5(6) .
C69 C70 C71 120.2(6) .
C72 C71 C70 120.2(7) .
C71 C72 C67 119.6(6) .
C78 C73 C74 118.9(5) .
C78 C73 P8 120.3(4) .
C74 C73 P8 120.1(4) .
C75 C74 C73 120.0(6) .
C74 C75 C76 120.3(6) .
C77 C76 C75 120.9(6) .
C76 C77 C78 119.4(6) .
C73 C78 C77 120.6(6) .
C80 C79 Pt1 175.1(5) .
C79 C80 C81 172.6(6) .
C100 C81 C82 119.7(5) .
C100 C81 C80 119.1(5) .
C82 C81 C80 121.2(5) .
C83 C82 C81 121.3(6) .
C82 C83 C84 119.7(5) .
C83 C84 C99 118.6(5) .
C83 C84 C85 136.0(5) .
C99 C84 C85 105.4(5) .
C98 C85 C84 107.4(5) .
C98 C85 C86 120.9(5) .
C84 C85 C86 131.7(6) .
C87 C86 C91 119.9(6) .
C87 C86 C85 122.7(6) .
C91 C86 C85 117.4(6) .
C86 C87 C88 121.9(7) .
C87 C88 C89 118.3(7) .
C90 C89 C88 121.2(6) .
C89 C90 C91 121.7(6) .
C86 C91 C90 117.0(6) .
C86 C91 C92 120.8(5) .
C90 C91 C92 122.1(6) .
C93 C92 C97 117.8(6) .
C93 C92 C91 121.1(6) .
C97 C92 C91 121.0(6) .
C94 C93 C92 121.9(6) .
C93 C94 C95 120.1(6) .
C96 C95 C94 116.9(7) .
C95 C96 C97 128.5(6) .
C92 C97 C96 114.8(5) .
C92 C97 C98 116.5(6) .
C96 C97 C98 128.5(5) .
C85 C98 N1 109.6(5) .
C85 C98 C97 123.0(5) .
N1 C98 C97 127.2(6) .
N1 C99 C100 128.3(5) .
N1 C99 C84 109.6(5) .
C100 C99 C84 122.0(5) .
C81 C100 C99 118.7(5) .
C103 C102 Pt1 176.7(5) .
C102 C103 C104 169.5(7) .
C123 C104 C105 120.2(7) .
C123 C104 C103 121.1(7) .
C105 C104 C103 118.6(6) .
C106 C105 C104 123.7(7) .
C107 C106 C105 116.7(7) .
C122 C107 C106 122.2(7) .
C122 C107 C108 101.7(6) .
C106 C107 C108 136.1(7) .
C121 C108 C107 108.5(6) .
C121 C108 C109 121.2(6) .
C107 C108 C109 130.3(7) .
C110 C109 C114 119.3(7) .
C110 C109 C108 124.4(7) .
C114 C109 C108 116.2(6) .
C111 C110 C109 121.0(7) .
C110 C111 C112 121.6(7) .
C113 C112 C111 117.6(8) .
C112 C113 C114 120.8(7) .
C113 C114 C109 119.5(6) .
C113 C114 C115 121.6(6) .
C109 C114 C115 118.8(6) .
C116 C115 C120 115.8(7) .
C116 C115 C114 121.0(6) .
C120 C115 C114 123.0(6) .
C115 C116 C117 124.9(7) .
C118 C117 C116 118.9(8) .
C119 C118 C117 121.1(8) .
C118 C119 C120 126.1(7) .
C121 C120 C115 116.1(7) .
C121 C120 C119 130.9(7) .
C115 C120 C119 113.0(6) .
C108 C121 C120 124.1(7) .
C108 C121 N2 109.6(6) .
C120 C121 N2 126.3(7) .
N2 C122 C107 114.9(6) .
N2 C122 C123 123.9(7) .
C107 C122 C123 121.2(6) .
C104 C123 C122 116.0(7) .
O1 Cl2 O4 113.1(4) .
O1 Cl2 O3 113.3(4) .
O4 Cl2 O3 110.7(3) .
O1 Cl2 O2 106.4(5) .
O4 Cl2 O2 103.6(4) .
O3 Cl2 O2 109.1(4) .
O5 Cl3 O8 115.7(5) .
O5 Cl3 O7 109.6(6) .
O8 Cl3 O7 110.6(6) .
O5 Cl3 O6 107.9(5) .
O8 Cl3 O6 108.3(4) .
O7 Cl3 O6 104.1(6) .
Cl5 C01 Cl4 112.7(6) .
Cl5' C01' Cl4' 113.7(6) .
C03 Cl8 C03 73.1(6) 3_565
Cl8 C03 Cl8 106.9(6) 3_565
Cl7 C02 Cl6 107.5(14) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C79 2.010(5) .
Pt1 C102 2.019(6) .
Pt1 P6 2.3141(13) .
Pt1 P2 2.3189(13) .
Pt1 Au1 2.9348(3) .
Au1 P1 2.2882(14) .
Au1 P5 2.2925(13) .
Au1 Au2 2.9693(3) .
Au1 Au3 3.0159(3) .
Au2 P3 2.3049(16) .
Au2 P7 2.3080(15) .
Au3 P4 2.3203(14) .
Au3 P8 2.3246(13) .
Au3 Cl1 2.9273(15) .
P1 C1 1.817(6) .
P1 C3 1.822(6) .
P1 C2 1.824(6) .
P2 C13 1.829(5) .
P2 C7 1.831(6) .
P2 C1 1.834(5) .
P3 C25 1.808(7) .
P3 C2 1.817(6) .
P3 C19 1.825(7) .
P4 C37 1.809(6) .
P4 C31 1.815(6) .
P4 C3 1.836(6) .
P5 C4 1.824(5) .
P5 C6 1.826(5) .
P5 C5 1.826(5) .
P6 C43 1.818(5) .
P6 C49 1.825(5) .
P6 C4 1.836(5) .
P7 C55 1.815(6) .
P7 C61 1.816(6) .
P7 C5 1.840(5) .
P8 C73 1.805(6) .
P8 C67 1.824(5) .
P8 C6 1.825(5) .
N1 C99 1.379(7) .
N1 C98 1.384(7) .
N1 C101 1.484(8) .
N2 C122 1.349(8) .
N2 C121 1.399(9) .
N2 C124 1.466(10) .
C7 C12 1.385(9) .
C7 C8 1.393(8) .
C8 C9 1.380(9) .
C9 C10 1.362(10) .
C10 C11 1.394(10) .
C11 C12 1.383(9) .
C13 C18 1.388(8) .
C13 C14 1.398(8) .
C14 C15 1.388(9) .
C15 C16 1.395(11) .
C16 C17 1.368(10) .
C17 C18 1.391(8) .
C19 C20 1.359(11) .
C19 C24 1.392(10) .
C20 C21 1.398(12) .
C21 C22 1.359(15) .
C22 C23 1.354(14) .
C23 C24 1.390(11) .
C25 C30 1.367(10) .
C25 C26 1.403(9) .
C26 C27 1.368(11) .
C27 C28 1.373(13) .
C28 C29 1.377(12) .
C29 C30 1.387(10) .
C31 C32 1.382(9) .
C31 C36 1.397(9) .
C32 C33 1.393(9) .
C33 C34 1.361(12) .
C34 C35 1.394(13) .
C35 C36 1.370(10) .
C37 C42 1.369(9) .
C37 C38 1.402(8) .
C38 C39 1.386(9) .
C39 C40 1.349(12) .
C40 C41 1.375(12) .
C41 C42 1.387(10) .
C43 C44 1.397(8) .
C43 C48 1.398(8) .
C44 C45 1.390(8) .
C45 C46 1.381(9) .
C46 C47 1.380(9) .
C47 C48 1.404(7) .
C49 C50 1.393(8) .
C49 C54 1.395(8) .
C50 C51 1.387(8) .
C51 C52 1.389(8) .
C52 C53 1.383(9) .
C53 C54 1.389(8) .
C55 C60 1.381(10) .
C55 C56 1.390(10) .
C56 C57 1.404(13) .
C57 C58 1.353(18) .
C58 C59 1.346(17) .
C59 C60 1.390(9) .
C61 C62 1.378(8) .
C61 C66 1.401(8) .
C62 C63 1.402(8) .
C63 C64 1.378(9) .
C64 C65 1.369(9) .
C65 C66 1.396(8) .
C67 C72 1.391(8) .
C67 C68 1.395(8) .
C68 C69 1.388(9) .
C69 C70 1.365(10) .
C70 C71 1.389(10) .
C71 C72 1.386(9) .
C73 C78 1.396(8) .
C73 C74 1.411(8) .
C74 C75 1.380(9) .
C75 C76 1.385(10) .
C76 C77 1.378(10) .
C77 C78 1.395(9) .
C79 C80 1.209(8) .
C80 C81 1.441(7) .
C81 C100 1.389(8) .
C81 C82 1.410(8) .
C82 C83 1.389(8) .
C83 C84 1.394(9) .
C84 C99 1.411(8) .
C84 C85 1.444(8) .
C85 C98 1.384(9) .
C85 C86 1.456(8) .
C86 C87 1.387(10) .
C86 C91 1.428(9) .
C87 C88 1.391(9) .
C88 C89 1.408(11) .
C89 C90 1.355(11) .
C90 C91 1.431(8) .
C91 C92 1.465(10) .
C92 C93 1.416(9) .
C92 C97 1.419(8) .
C93 C94 1.375(11) .
C94 C95 1.416(9) .
C95 C96 1.270(9) .
C96 C97 1.432(10) .
C97 C98 1.460(8) .
C99 C100 1.397(7) .
C102 C103 1.201(8) .
C103 C104 1.460(9) .
C104 C123 1.373(10) .
C104 C105 1.418(11) .
C105 C106 1.399(10) .
C106 C107 1.377(10) .
C107 C122 1.379(10) .
C107 C108 1.470(9) .
C108 C121 1.362(11) .
C108 C109 1.513(10) .
C109 C110 1.380(11) .
C109 C114 1.423(9) .
C110 C111 1.343(12) .
C111 C112 1.452(11) .
C112 C113 1.374(10) .
C113 C114 1.411(9) .
C114 C115 1.460(10) .
C115 C116 1.398(9) .
C115 C120 1.432(9) .
C116 C117 1.400(10) .
C117 C118 1.305(11) .
C118 C119 1.261(10) .
C119 C120 1.515(10) .
C120 C121 1.394(10) .
C122 C123 1.491(10) .
Cl2 O1 1.380(6) .
Cl2 O4 1.427(5) .
Cl2 O3 1.451(5) .
Cl2 O2 1.498(7) .
Cl3 O5 1.361(6) .
Cl3 O8 1.399(7) .
Cl3 O7 1.432(9) .
Cl3 O6 1.487(7) .
C01 Cl5 1.679(9) .
C01 Cl4 1.751(7) .
C01' Cl5' 1.734(9) .
C01' Cl4' 1.751(7) .
Cl8 C03 1.745(8) .
Cl8 C03 1.853(9) 3_565
Cl7 C02 1.675(19) .
Cl6 C02 1.88(2) .
