#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/57/4305704.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_4305704
loop_
_publ_author_name
'Jesús Rubén Berenguer'
'Alvaro Díez'
'Julio Fernández'
'Juan Forniés'
'Ana García'
'Belén Gil'
'Elena Lalinde'
'M. Teresa Moreno'
_publ_section_title
;
[Pt]2Pb Trinuclear Systems: Impact of the Anionic Platinum Fragment on the
Lead Environment and Photoluminescence
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7703
_journal_page_last               7716
_journal_paper_doi               10.1021/ic8006876
_journal_volume                  47
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_sum            'C107.5 H135 Cl7 N2 O2 Pb Pt2'
_chemical_formula_weight         2332.7
_chemical_name_common            jfk118
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-10-05T16:32:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 101.4820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.7743(3)
_cell_length_b                   17.2298(3)
_cell_length_c                   27.3240(4)
_cell_measurement_reflns_used    11564
_cell_measurement_temperature    123.0(10)
_cell_volume                     10507.3(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123.0(10)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.0421866
_diffrn_orient_matrix_UB_12      0.0127281
_diffrn_orient_matrix_UB_13      -0.0023603
_diffrn_orient_matrix_UB_21      -0.0109592
_diffrn_orient_matrix_UB_22      -0.0044735
_diffrn_orient_matrix_UB_23      -0.0371923
_diffrn_orient_matrix_UB_31      -0.0103807
_diffrn_orient_matrix_UB_32      0.0564492
_diffrn_orient_matrix_UB_33      -0.0024152
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            70294
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.59
_exptl_absorpt_coefficient_mu    4.48
_exptl_absorpt_correction_T_max  0.5486
_exptl_absorpt_correction_T_min  0.4811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4668
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.763
_refine_diff_density_min         -1.688
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.494(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1119
_refine_ls_number_reflns         19586
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+38.7214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                17257
_reflns_number_total             19586
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8006876-file003_1.cif
_cod_data_source_block           complex1_3.5CH2Cl2
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C107.50 H135 Cl7 N2 O2 Pb Pt2'
_cod_database_code               4305704
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.502935(9) 0.727203(14) 0.244574(8) 0.02987(7) Uani 1 1 d . . .
Pt2 Pt 0.258410(9) 0.731918(15) 0.250390(8) 0.03145(7) Uani 1 1 d . . .
Pb1A Pb 0.37473(5) 0.73394(6) 0.21727(4) 0.0282(3) Uani 0.26 1 d P A 1
O1A O 0.3838(9) 0.6461(13) 0.2867(8) 0.0451(11) Uani 0.26 1 d P A 1
O2A O 0.3858(10) 0.8568(14) 0.2629(11) 0.0451(11) Uani 0.26 1 d P A 1
Pb1B Pb 0.387854(18) 0.73315(2) 0.275471(16) 0.03325(11) Uani 0.74 1 d P A 2
O1B O 0.3680(3) 0.6559(4) 0.1978(3) 0.0451(11) Uani 0.74 1 d P A 2
O2B O 0.3768(4) 0.8550(5) 0.2291(4) 0.0451(11) Uani 0.74 1 d P A 2
N1 N 0.6989(3) 0.8444(3) 0.2900(2) 0.0316(13) Uani 1 1 d . . .
N2 N 0.0683(3) 0.8224(4) 0.2129(3) 0.0408(16) Uani 1 1 d . . .
C1 C 0.2518(4) 0.8068(5) 0.1929(4) 0.037(2) Uani 1 1 d . A .
C2 C 0.2481(4) 0.8552(5) 0.1603(3) 0.040(2) Uani 1 1 d . . .
C3 C 0.2444(3) 0.9189(4) 0.1254(3) 0.0352(19) Uani 1 1 d . A .
C4 C 0.2549(4) 0.9958(5) 0.1424(4) 0.051(2) Uani 1 1 d . . .
H4 H 0.2633 1.006 0.1766 0.061 Uiso 1 1 calc R A .
C5 C 0.2529(4) 1.0571(5) 0.1085(5) 0.061(3) Uani 1 1 d . A .
H5 H 0.2589 1.1075 0.1205 0.073 Uiso 1 1 calc R . .
C6 C 0.2425(3) 1.0446(5) 0.0582(4) 0.051(2) Uani 1 1 d . . .
C7 C 0.2310(4) 0.9703(5) 0.0423(4) 0.053(2) Uani 1 1 d . A .
H7 H 0.2221 0.9608 0.0082 0.064 Uiso 1 1 calc R . .
C8 C 0.2318(4) 0.9081(5) 0.0745(4) 0.050(2) Uani 1 1 d . . .
H8 H 0.2237 0.8584 0.0616 0.06 Uiso 1 1 calc R A .
C9 C 0.2452(4) 1.1123(6) 0.0245(5) 0.082(4) Uani 1 1 d . A .
H9A H 0.2526 1.0942 -0.007 0.123 Uiso 1 1 calc R . .
H9B H 0.277 1.1465 0.0396 0.123 Uiso 1 1 calc R . .
H9C H 0.2078 1.1398 0.0191 0.123 Uiso 1 1 calc R . .
C10 C 0.2444(4) 0.6432(5) 0.2011(4) 0.042(2) Uani 1 1 d . A .
C11 C 0.2420(4) 0.5887(5) 0.1728(3) 0.0378(19) Uani 1 1 d . . .
C12 C 0.2358(4) 0.5281(5) 0.1367(3) 0.0339(18) Uani 1 1 d . A .
C13 C 0.1783(4) 0.4972(5) 0.1151(4) 0.049(2) Uani 1 1 d . . .
H13 H 0.1445 0.5155 0.1257 0.059 Uiso 1 1 calc R A .
C14 C 0.1723(4) 0.4408(5) 0.0789(3) 0.044(2) Uani 1 1 d . A .
H14 H 0.1342 0.4225 0.0651 0.053 Uiso 1 1 calc R . .
C15 C 0.2199(3) 0.4110(5) 0.0627(3) 0.0393(18) Uani 1 1 d . . .
C16 C 0.2851(4) 0.4964(6) 0.1199(4) 0.054(3) Uani 1 1 d . . .
H16 H 0.3235 0.5143 0.1334 0.064 Uiso 1 1 calc R A .
C17 C 0.2777(4) 0.4387(6) 0.0833(4) 0.057(3) Uani 1 1 d . A .
H17 H 0.3109 0.4186 0.0726 0.068 Uiso 1 1 calc R . .
C18 C 0.2117(4) 0.3490(5) 0.0221(3) 0.058(2) Uani 1 1 d . A .
H18A H 0.1715 0.3293 0.0168 0.087 Uiso 1 1 calc R . .
H18B H 0.2394 0.3074 0.0324 0.087 Uiso 1 1 calc R . .
H18C H 0.219 0.3712 -0.0083 0.087 Uiso 1 1 calc R . .
C19 C 0.2607(4) 0.6575(5) 0.3084(3) 0.037(2) Uani 1 1 d . A .
C20 C 0.2619(4) 0.6168(5) 0.3430(3) 0.0382(19) Uani 1 1 d . . .
C21 C 0.2611(4) 0.5634(4) 0.3834(3) 0.0339(18) Uani 1 1 d . A .
C22 C 0.3135(4) 0.5340(5) 0.4130(3) 0.044(2) Uani 1 1 d . . .
H22 H 0.3505 0.5512 0.4077 0.053 Uiso 1 1 calc R A .
C23 C 0.3117(4) 0.4785(5) 0.4509(3) 0.047(2) Uani 1 1 d . A .
H23 H 0.3471 0.4576 0.4689 0.056 Uiso 1 1 calc R . .
C24 C 0.2568(4) 0.4553(5) 0.4611(3) 0.046(2) Uani 1 1 d . . .
C25 C 0.2053(4) 0.4862(5) 0.4337(3) 0.049(2) Uani 1 1 d . A .
H25 H 0.1685 0.4708 0.4403 0.058 Uiso 1 1 calc R . .
C26 C 0.2072(4) 0.5409(5) 0.3959(4) 0.049(2) Uani 1 1 d . . .
H26 H 0.1716 0.5627 0.3788 0.059 Uiso 1 1 calc R A .
C27 C 0.2550(5) 0.3935(6) 0.5006(4) 0.070(3) Uani 1 1 d . A .
H27A H 0.2183 0.398 0.5126 0.105 Uiso 1 1 calc R . .
H27B H 0.2883 0.4006 0.5279 0.105 Uiso 1 1 calc R . .
H27C H 0.2573 0.343 0.4863 0.105 Uiso 1 1 calc R . .
C28 C 0.2737(4) 0.8221(4) 0.2987(3) 0.0328(19) Uani 1 1 d . A .
C29 C 0.2866(4) 0.8743(5) 0.3271(3) 0.0381(19) Uani 1 1 d . . .
C30 C 0.3000(4) 0.9370(4) 0.3635(3) 0.0380(19) Uani 1 1 d . A .
C31 C 0.2534(4) 0.9790(5) 0.3767(3) 0.047(2) Uani 1 1 d . . .
H31 H 0.2139 0.9655 0.3632 0.057 Uiso 1 1 calc R A .
C32 C 0.2652(4) 1.0406(5) 0.4097(3) 0.053(2) Uani 1 1 d . A .
H32 H 0.2335 1.0691 0.4174 0.064 Uiso 1 1 calc R . .
C33 C 0.3239(5) 1.0606(6) 0.4317(4) 0.058(3) Uani 1 1 d . . .
C34 C 0.3687(4) 1.0173(6) 0.4190(4) 0.057(2) Uani 1 1 d . A .
H34 H 0.4083 1.0289 0.4333 0.068 Uiso 1 1 calc R . .
C35 C 0.3570(4) 0.9568(5) 0.3855(3) 0.0420(19) Uani 1 1 d . . .
H35 H 0.3888 0.9289 0.3776 0.05 Uiso 1 1 calc R A .
C36 C 0.3359(6) 1.1284(6) 0.4695(4) 0.084(4) Uani 1 1 d . A .
H36A H 0.3295 1.1111 0.5014 0.125 Uiso 1 1 calc R . .
H36B H 0.3091 1.1705 0.4579 0.125 Uiso 1 1 calc R . .
H36C H 0.3766 1.1456 0.4726 0.125 Uiso 1 1 calc R . .
C37 C 0.5109(4) 0.8095(5) 0.2977(3) 0.0315(19) Uani 1 1 d . A .
C38 C 0.5149(4) 0.8608(5) 0.3277(3) 0.035(2) Uani 1 1 d . . .
C39 C 0.5207(4) 0.9282(5) 0.3604(3) 0.0359(19) Uani 1 1 d . A .
C40 C 0.5377(4) 0.9209(5) 0.4125(3) 0.044(2) Uani 1 1 d . . .
H40 H 0.5445 0.8721 0.427 0.053 Uiso 1 1 calc R A .
C41 C 0.5442(4) 0.9870(6) 0.4425(3) 0.053(2) Uani 1 1 d . A .
H41 H 0.5571 0.9814 0.4768 0.064 Uiso 1 1 calc R . .
C42 C 0.5323(3) 1.0602(5) 0.4231(4) 0.046(2) Uani 1 1 d . . .
C43 C 0.5141(4) 1.0656(5) 0.3714(3) 0.048(2) Uani 1 1 d . A .
H43 H 0.5046 1.1142 0.3572 0.057 Uiso 1 1 calc R . .
C44 C 0.5096(4) 1.0013(5) 0.3405(3) 0.0412(19) Uani 1 1 d . . .
H44 H 0.4991 1.0076 0.3061 0.049 Uiso 1 1 calc R A .
C45 C 0.5362(4) 1.1304(5) 0.4565(4) 0.064(3) Uani 1 1 d . A .
H45A H 0.5253 1.1161 0.4875 0.096 Uiso 1 1 calc R . .
H45B H 0.5093 1.1698 0.4404 0.096 Uiso 1 1 calc R . .
H45C H 0.5764 1.1501 0.463 0.096 Uiso 1 1 calc R . .
C46 C 0.4897(4) 0.8097(5) 0.1938(3) 0.035(2) Uani 1 1 d . A .
C47 C 0.4784(3) 0.8638(5) 0.1624(3) 0.0343(18) Uani 1 1 d . . .
C48 C 0.4686(4) 0.9259(5) 0.1270(3) 0.0359(19) Uani 1 1 d . A .
C49 C 0.4137(5) 0.9609(7) 0.1125(6) 0.100(5) Uani 1 1 d . . .
H49 H 0.3811 0.9433 0.1252 0.12 Uiso 1 1 calc R A .
C50 C 0.4065(5) 1.0234(7) 0.0786(5) 0.094(5) Uani 1 1 d . A .
H50 H 0.3692 1.0474 0.0704 0.112 Uiso 1 1 calc R . .
C51 C 0.4507(4) 1.0495(5) 0.0579(3) 0.048(2) Uani 1 1 d . . .
C52 C 0.5043(4) 1.0124(6) 0.0706(3) 0.063(3) Uani 1 1 d . A .
H52 H 0.536 1.0282 0.056 0.076 Uiso 1 1 calc R . .
C53 C 0.5130(5) 0.9519(6) 0.1044(4) 0.073(3) Uani 1 1 d . . .
H53 H 0.5504 0.9281 0.1119 0.087 Uiso 1 1 calc R A .
C54 C 0.4401(5) 1.1176(6) 0.0234(4) 0.072(3) Uani 1 1 d . A .
H54A H 0.4034 1.1102 -0.0005 0.107 Uiso 1 1 calc R . .
H54B H 0.4728 1.1224 0.0061 0.107 Uiso 1 1 calc R . .
H54C H 0.4373 1.164 0.0422 0.107 Uiso 1 1 calc R . .
C55 C 0.4969(4) 0.6498(5) 0.1889(3) 0.036(2) Uani 1 1 d . A .
C56 C 0.4960(4) 0.6013(5) 0.1558(3) 0.040(2) Uani 1 1 d . . .
C57 C 0.5010(4) 0.5454(4) 0.1172(3) 0.041(2) Uani 1 1 d . A .
C58 C 0.4516(4) 0.5125(4) 0.0877(3) 0.0372(18) Uani 1 1 d . . .
H58 H 0.4134 0.5267 0.0916 0.045 Uiso 1 1 calc R A .
C59 C 0.4587(5) 0.4585(5) 0.0524(3) 0.053(2) Uani 1 1 d . A .
H59 H 0.4245 0.4374 0.0326 0.064 Uiso 1 1 calc R . .
C60 C 0.5581(4) 0.5235(5) 0.1091(3) 0.042(2) Uani 1 1 d . . .
H60 H 0.5923 0.5467 0.1277 0.05 Uiso 1 1 calc R A .
C61 C 0.5633(4) 0.4697(5) 0.0748(4) 0.052(2) Uani 1 1 d . A .
H61 H 0.6014 0.4552 0.0707 0.062 Uiso 1 1 calc R . .
C62 C 0.5128(4) 0.4343(5) 0.0449(3) 0.047(2) Uani 1 1 d . . .
C63 C 0.5216(6) 0.3751(7) 0.0055(4) 0.087(4) Uani 1 1 d . A .
H63A H 0.4974 0.3301 0.0079 0.131 Uiso 1 1 calc R . .
H63B H 0.563 0.3602 0.0108 0.131 Uiso 1 1 calc R . .
H63C H 0.5098 0.3976 -0.0271 0.131 Uiso 1 1 calc R . .
C64 C 0.5128(4) 0.6425(5) 0.2950(3) 0.0318(19) Uani 1 1 d . A .
C65 C 0.5195(4) 0.5946(5) 0.3300(3) 0.038(2) Uani 1 1 d . . .
C66 C 0.5309(4) 0.5375(5) 0.3688(3) 0.0353(18) Uani 1 1 d . A .
C67 C 0.4861(4) 0.5051(6) 0.3891(4) 0.062(3) Uani 1 1 d . . .
H67 H 0.4467 0.5204 0.377 0.074 Uiso 1 1 calc R A .
C68 C 0.4973(4) 0.4515(6) 0.4262(4) 0.057(3) Uani 1 1 d . A .
H68 H 0.4651 0.4305 0.4379 0.069 Uiso 1 1 calc R . .
C69 C 0.5533(4) 0.4271(5) 0.4469(3) 0.0401(19) Uani 1 1 d . . .
C70 C 0.5991(4) 0.4583(5) 0.4261(3) 0.045(2) Uani 1 1 d . A .
H70 H 0.6383 0.4423 0.4383 0.054 Uiso 1 1 calc R . .
C71 C 0.5886(3) 0.5123(5) 0.3877(3) 0.0364(18) Uani 1 1 d . . .
H71 H 0.6204 0.5316 0.3746 0.044 Uiso 1 1 calc R A .
C72 C 0.5662(4) 0.3676(5) 0.4887(3) 0.054(2) Uani 1 1 d . A .
H72A H 0.5305 0.3585 0.5015 0.081 Uiso 1 1 calc R . .
H72B H 0.5973 0.3866 0.5149 0.081 Uiso 1 1 calc R . .
H72C H 0.579 0.3198 0.4759 0.081 Uiso 1 1 calc R . .
C73 C 0.7592(3) 0.8688(4) 0.3211(3) 0.0356(18) Uani 1 1 d . . .
H73A H 0.7529 0.8884 0.3529 0.043 Uiso 1 1 calc R . .
H73B H 0.7749 0.9111 0.3041 0.043 Uiso 1 1 calc R . .
C74 C 0.8061(4) 0.8042(5) 0.3309(3) 0.046(2) Uani 1 1 d . . .
H74A H 0.8158 0.7876 0.2996 0.055 Uiso 1 1 calc R . .
H74B H 0.7898 0.76 0.3458 0.055 Uiso 1 1 calc R . .
C75 C 0.8629(4) 0.8323(6) 0.3660(4) 0.065(3) Uani 1 1 d . . .
H75A H 0.8545 0.8414 0.3989 0.078 Uiso 1 1 calc R . .
H75B H 0.8758 0.881 0.3537 0.078 Uiso 1 1 calc R . .
C76 C 0.9141(5) 0.7706(7) 0.3694(5) 0.082(4) Uani 1 1 d . . .
H76A H 0.8998 0.721 0.3781 0.123 Uiso 1 1 calc R . .
H76B H 0.9478 0.7861 0.3946 0.123 Uiso 1 1 calc R . .
H76C H 0.9262 0.7668 0.3378 0.123 Uiso 1 1 calc R . .
C77 C 0.6737(4) 0.7772(4) 0.3149(3) 0.041(2) Uani 1 1 d . . .
H77A H 0.6968 0.7311 0.3111 0.049 Uiso 1 1 calc R . .
H77B H 0.6329 0.768 0.2974 0.049 Uiso 1 1 calc R . .
C78 C 0.6734(4) 0.7879(4) 0.3709(3) 0.0384(18) Uani 1 1 d . . .
H78A H 0.6497 0.833 0.3757 0.046 Uiso 1 1 calc R . .
H78B H 0.7139 0.7954 0.3895 0.046 Uiso 1 1 calc R . .
C79 C 0.6459(5) 0.7139(5) 0.3889(3) 0.056(2) Uani 1 1 d . . .
H79A H 0.667 0.6688 0.3801 0.067 Uiso 1 1 calc R . .
H79B H 0.6043 0.7097 0.3721 0.067 Uiso 1 1 calc R . .
C80 C 0.6496(5) 0.7151(6) 0.4461(3) 0.060(2) Uani 1 1 d . . .
H80A H 0.6907 0.7184 0.4629 0.089 Uiso 1 1 calc R . .
H80B H 0.6321 0.6684 0.4561 0.089 Uiso 1 1 calc R . .
H80C H 0.6281 0.7593 0.4548 0.089 Uiso 1 1 calc R . .
C81 C 0.7072(4) 0.8188(4) 0.2395(3) 0.0372(18) Uani 1 1 d . . .
H81A H 0.7326 0.7732 0.2438 0.045 Uiso 1 1 calc R . .
H81B H 0.7287 0.8594 0.2259 0.045 Uiso 1 1 calc R . .
C82 C 0.6510(4) 0.7998(5) 0.2008(3) 0.0362(17) Uani 1 1 d . . .
H82A H 0.6251 0.7662 0.2156 0.043 Uiso 1 1 calc R . .
H82B H 0.6292 0.8472 0.1902 0.043 Uiso 1 1 calc R . .
C83 C 0.6676(4) 0.7601(5) 0.1563(4) 0.053(2) Uani 1 1 d . . .
H83A H 0.6878 0.7117 0.1671 0.064 Uiso 1 1 calc R . .
H83B H 0.6953 0.7928 0.143 0.064 Uiso 1 1 calc R . .
C84 C 0.6126(5) 0.7432(6) 0.1146(4) 0.058(3) Uani 1 1 d . . .
H84A H 0.587 0.7064 0.1265 0.087 Uiso 1 1 calc R . .
H84B H 0.6257 0.7222 0.0861 0.087 Uiso 1 1 calc R . .
H84C H 0.5908 0.7904 0.1054 0.087 Uiso 1 1 calc R . .
C85 C 0.6562(3) 0.9121(4) 0.2864(3) 0.0342(17) Uani 1 1 d . . .
H85A H 0.617 0.8947 0.2692 0.041 Uiso 1 1 calc R . .
H85B H 0.6528 0.9268 0.32 0.041 Uiso 1 1 calc R . .
C86 C 0.6723(3) 0.9825(4) 0.2605(3) 0.0363(17) Uani 1 1 d . . .
H86A H 0.6759 0.9686 0.2268 0.044 Uiso 1 1 calc R . .
H86B H 0.711 1.0014 0.2779 0.044 Uiso 1 1 calc R . .
C87 C 0.6251(3) 1.0487(4) 0.2580(3) 0.0442(19) Uani 1 1 d . . .
H87A H 0.6162 1.0562 0.2909 0.053 Uiso 1 1 calc R . .
H87B H 0.6421 1.0966 0.2484 0.053 Uiso 1 1 calc R . .
C88 C 0.5674(4) 1.0318(5) 0.2213(3) 0.052(2) Uani 1 1 d . . .
H88A H 0.5732 1.0406 0.1879 0.078 Uiso 1 1 calc R . .
H88B H 0.5363 1.0654 0.228 0.078 Uiso 1 1 calc R . .
H88C H 0.5561 0.9787 0.2247 0.078 Uiso 1 1 calc R . .
C89 C 0.1139(3) 0.8873(4) 0.2136(3) 0.0336(17) Uani 1 1 d . . .
H89A H 0.1531 0.867 0.2285 0.04 Uiso 1 1 calc R . .
H89B H 0.1149 0.9005 0.1793 0.04 Uiso 1 1 calc R . .
C90 C 0.1044(3) 0.9610(5) 0.2406(3) 0.0428(19) Uani 1 1 d . . .
H90A H 0.1013 0.9498 0.2748 0.051 Uiso 1 1 calc R . .
H90B H 0.0679 0.9866 0.2241 0.051 Uiso 1 1 calc R . .
C91 C 0.1581(3) 1.0123(4) 0.2396(3) 0.0426(17) Uani 1 1 d . . .
H91A H 0.1935 0.9877 0.259 0.051 Uiso 1 1 calc R . .
H91B H 0.1637 1.0164 0.2054 0.051 Uiso 1 1 calc R . .
C92 C 0.1529(4) 1.0907(5) 0.2593(3) 0.058(2) Uani 1 1 d . . .
H92A H 0.121 1.1179 0.2378 0.087 Uiso 1 1 calc R . .
H92B H 0.1898 1.1182 0.2606 0.087 Uiso 1 1 calc R . .
H92C H 0.1444 1.0872 0.2922 0.087 Uiso 1 1 calc R . .
C93 C 0.0617(3) 0.8021(5) 0.2663(3) 0.0391(19) Uani 1 1 d . . .
H93A H 0.0404 0.8442 0.2786 0.047 Uiso 1 1 calc R . .
H93B H 0.0368 0.7562 0.2647 0.047 Uiso 1 1 calc R . .
C94 C 0.1187(4) 0.7874(5) 0.3040(3) 0.0386(18) Uani 1 1 d . . .
H94A H 0.1403 0.7446 0.2927 0.046 Uiso 1 1 calc R . .
H94B H 0.144 0.8331 0.3066 0.046 Uiso 1 1 calc R . .
C95 C 0.1058(4) 0.7686(5) 0.3540(3) 0.048(2) Uani 1 1 d . . .
H95A H 0.0843 0.7197 0.352 0.058 Uiso 1 1 calc R . .
H95B H 0.0802 0.8085 0.3633 0.058 Uiso 1 1 calc R . .
C96 C 0.1634(4) 0.7624(6) 0.3950(3) 0.054(2) Uani 1 1 d . . .
H96A H 0.1894 0.7236 0.3856 0.081 Uiso 1 1 calc R . .
H96B H 0.1529 0.7481 0.4261 0.081 Uiso 1 1 calc R . .
H96C H 0.1837 0.8115 0.3986 0.081 Uiso 1 1 calc R . .
C97 C 0.0896(4) 0.7522(5) 0.1889(3) 0.047(2) Uani 1 1 d . . .
H97A H 0.0628 0.7094 0.1919 0.057 Uiso 1 1 calc R . .
H97B H 0.129 0.7383 0.2076 0.057 Uiso 1 1 calc R . .
C98 C 0.0933(4) 0.7608(5) 0.1343(3) 0.049(2) Uani 1 1 d . . .
H98A H 0.1255 0.7962 0.1311 0.059 Uiso 1 1 calc R . .
H98B H 0.0561 0.7818 0.1155 0.059 Uiso 1 1 calc R . .
C99 C 0.1053(5) 0.6803(6) 0.1136(4) 0.071(3) Uani 1 1 d . . .
H99A H 0.1401 0.6572 0.1348 0.085 Uiso 1 1 calc R . .
H99B H 0.0712 0.6467 0.1139 0.085 Uiso 1 1 calc R . .
C100 C 0.1159(5) 0.6868(7) 0.0609(4) 0.077(3) Uani 1 1 d . . .
H10A H 0.0797 0.7031 0.0391 0.116 Uiso 1 1 calc R . .
H10B H 0.128 0.6372 0.0503 0.116 Uiso 1 1 calc R . .
H10C H 0.1469 0.7242 0.06 0.116 Uiso 1 1 calc R . .
C101 C 0.0070(4) 0.8486(5) 0.1834(3) 0.046(2) Uani 1 1 d . . .
H10D H -0.0076 0.8905 0.2015 0.056 Uiso 1 1 calc R . .
H10E H 0.0121 0.8691 0.1515 0.056 Uiso 1 1 calc R . .
C102 C -0.0405(4) 0.7850(6) 0.1740(4) 0.058(3) Uani 1 1 d . . .
H10F H -0.0255 0.741 0.158 0.07 Uiso 1 1 calc R . .
H10G H -0.0493 0.7676 0.2055 0.07 Uiso 1 1 calc R . .
C103 C -0.0971(5) 0.8154(8) 0.1409(6) 0.113(6) Uani 1 1 d . . .
H10H H -0.0893 0.8277 0.1081 0.135 Uiso 1 1 calc R . .
H10I H -0.1097 0.8627 0.1551 0.135 Uiso 1 1 calc R . .
C104 C -0.1470(6) 0.7552(9) 0.1358(8) 0.130(7) Uani 1 1 d . . .
H10J H -0.1319 0.7056 0.128 0.194 Uiso 1 1 calc R . .
H10K H -0.1796 0.7703 0.1096 0.194 Uiso 1 1 calc R . .
H10L H -0.1608 0.7516 0.1667 0.194 Uiso 1 1 calc R . .
C105 C 0.4082(6) 0.4922(7) 0.2563(7) 0.0495(7) Uani 0.5 1 d PD A .
H10M H 0.4063 0.5158 0.2238 0.059 Uiso 0.5 1 calc PR . .
H10N H 0.4483 0.4998 0.2758 0.059 Uiso 0.5 1 calc PR . .
Cl1 Cl 0.35522(16) 0.5380(2) 0.28703(16) 0.0495(7) Uani 0.5 1 d PD . .
Cl2 Cl 0.39359(15) 0.3948(2) 0.24920(19) 0.0495(7) Uani 0.5 1 d PD . .
C107 C 0.4202(5) 0.2563(6) 0.5712(3) 0.055(2) Uani 1 1 d . . .
H10O H 0.4349 0.2039 0.5688 0.066 Uiso 1 1 calc R . .
H10P H 0.4486 0.2834 0.5967 0.066 Uiso 1 1 calc R . .
Cl5 Cl 0.41586(13) 0.30409(15) 0.51335(9) 0.0641(7) Uani 1 1 d . . .
Cl6 Cl 0.35108(14) 0.2527(2) 0.58887(11) 0.0738(8) Uani 1 1 d . . .
C108 C 0.3486(4) 0.7541(6) 0.4226(4) 0.053(2) Uani 1 1 d . . .
H10Q H 0.3177 0.7291 0.3981 0.064 Uiso 1 1 calc R . .
H10R H 0.3381 0.8085 0.4241 0.064 Uiso 1 1 calc R . .
Cl7 Cl 0.41766(13) 0.7463(2) 0.40360(11) 0.0693(7) Uani 1 1 d . . .
Cl8 Cl 0.35078(13) 0.71125(14) 0.48150(10) 0.0628(7) Uani 1 1 d . . .
C106 C 0.3707(8) 1.0494(9) 0.2720(7) 0.1309(14) Uani 1 1 d . . .
H10S H 0.3593 0.9956 0.2751 0.157 Uiso 1 1 calc R B 1
H10T H 0.4027 1.0606 0.3003 0.157 Uiso 1 1 calc R B 1
Cl4 Cl 0.3113(2) 1.1050(2) 0.27790(17) 0.1309(14) Uani 1 1 d . C .
Cl3A Cl 0.3994(2) 1.0570(3) 0.21959(19) 0.0816(11) Uani 0.6 1 d P C 1
Cl3B Cl 0.4177(3) 1.1181(5) 0.2446(3) 0.0816(11) Uani 0.4 1 d P C 2
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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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'
O O 0.0106 0.006 '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
C46 Pt1 C64 177.6(4) . . ?
C46 Pt1 C55 88.1(4) . . ?
C64 Pt1 C55 91.1(3) . . ?
C46 Pt1 C37 88.8(3) . . ?
C64 Pt1 C37 92.0(4) . . ?
C55 Pt1 C37 176.5(4) . . ?
C46 Pt1 Pb1A 77.4(2) . . ?
C64 Pt1 Pb1A 100.3(2) . . ?
C55 Pt1 Pb1A 85.3(2) . . ?
C37 Pt1 Pb1A 95.8(3) . . ?
C46 Pt1 Pb1B 99.1(2) . . ?
C64 Pt1 Pb1B 79.0(2) . . ?
C55 Pt1 Pb1B 108.3(2) . . ?
C37 Pt1 Pb1B 73.9(2) . . ?
Pb1A Pt1 Pb1B 31.28(2) . . ?
C1 Pt2 C10 89.3(4) . . ?
C1 Pt2 C28 89.6(3) . . ?
C10 Pt2 C28 178.6(4) . . ?
C1 Pt2 C19 177.1(4) . . ?
C10 Pt2 C19 91.1(3) . . ?
C28 Pt2 C19 90.1(3) . . ?
C1 Pt2 Pb1B 95.4(2) . . ?
C10 Pt2 Pb1B 100.5(3) . . ?
C28 Pt2 Pb1B 78.7(2) . . ?
C19 Pt2 Pb1B 87.3(2) . . ?
C1 Pt2 Pb1A 71.8(2) . . ?
C10 Pt2 Pb1A 80.7(3) . . ?
C28 Pt2 Pb1A 98.2(2) . . ?
C19 Pt2 Pb1A 111.1(3) . . ?
Pb1B Pt2 Pb1A 30.84(2) . . ?
O1A Pb1A O2A 99.1(8) . . ?
O1A Pb1A Pt1 81.2(5) . . ?
O2A Pb1A Pt1 84.6(5) . . ?
O1A Pb1A Pt2 72.1(5) . . ?
O2A Pb1A Pt2 82.1(5) . . ?
Pt1 Pb1A Pt2 147.68(5) . . ?
Cl1 O1A Pb1A 128.4(10) . . ?
O2B Pb1B O1B 92.0(3) . . ?
O2B Pb1B Pt2 83.60(18) . . ?
O1B Pb1B Pt2 77.78(16) . . ?
O2B Pb1B Pt1 83.39(18) . . ?
O1B Pb1B Pt1 75.73(16) . . ?
Pt2 Pb1B Pt1 149.949(19) . . ?
C81 N1 C77 108.6(6) . . ?
C81 N1 C85 111.4(6) . . ?
C77 N1 C85 108.9(5) . . ?
C81 N1 C73 109.3(6) . . ?
C77 N1 C73 109.9(6) . . ?
C85 N1 C73 108.7(5) . . ?
C97 N2 C89 108.5(6) . . ?
C97 N2 C101 110.3(6) . . ?
C89 N2 C101 109.7(5) . . ?
C97 N2 C93 109.4(6) . . ?
C89 N2 C93 110.6(6) . . ?
C101 N2 C93 108.3(6) . . ?
C2 C1 Pt2 176.4(8) . . ?
C1 C2 C3 174.1(10) . . ?
C8 C3 C4 116.7(8) . . ?
C8 C3 C2 122.5(8) . . ?
C4 C3 C2 120.8(8) . . ?
C5 C4 C3 120.6(9) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 121.6(9) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C7 C6 C5 117.0(8) . . ?
C7 C6 C9 124.5(10) . . ?
C5 C6 C9 118.5(9) . . ?
C6 C7 C8 123.3(9) . . ?
C6 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C3 C8 C7 120.7(8) . . ?
C3 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Pt2 173.5(8) . . ?
C10 C11 C12 175.4(9) . . ?
C16 C12 C13 116.5(7) . . ?
C16 C12 C11 122.4(8) . . ?
C13 C12 C11 121.0(8) . . ?
C14 C13 C12 120.9(8) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C15 C14 C13 122.2(8) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
C14 C15 C17 119.2(7) . . ?
C14 C15 C18 120.9(7) . . ?
C17 C15 C18 119.9(7) . . ?
C12 C16 C17 121.3(8) . . ?
C12 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C15 C17 C16 119.9(8) . . ?
C15 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 Pt2 177.5(8) . . ?
C19 C20 C21 176.4(9) . . ?
C26 C21 C22 116.8(8) . . ?
C26 C21 C20 120.7(8) . . ?
C22 C21 C20 122.4(8) . . ?
C21 C22 C23 121.4(8) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C24 C23 C22 119.9(8) . . ?
C24 C23 H23 120 . . ?
C22 C23 H23 120 . . ?
C25 C24 C23 119.0(8) . . ?
C25 C24 C27 121.3(9) . . ?
C23 C24 C27 119.6(9) . . ?
C24 C25 C26 121.0(8) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C21 C26 C25 121.6(9) . . ?
C21 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 Pt2 175.6(8) . . ?
C28 C29 C30 176.9(9) . . ?
C35 C30 C31 117.8(8) . . ?
C35 C30 C29 122.6(8) . . ?
C31 C30 C29 119.7(8) . . ?
C32 C31 C30 120.6(8) . . ?
C32 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C31 C32 C33 121.0(8) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C34 C33 C32 117.2(8) . . ?
C34 C33 C36 122.7(10) . . ?
C32 C33 C36 120.1(9) . . ?
C33 C34 C35 121.8(9) . . ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 . . ?
C30 C35 C34 121.6(8) . . ?
C30 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Pt1 177.2(8) . . ?
C37 C38 C39 174.4(9) . . ?
C44 C39 C40 118.3(8) . . ?
C44 C39 C38 120.1(8) . . ?
C40 C39 C38 121.6(8) . . ?
C41 C40 C39 119.9(8) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C40 122.2(8) . . ?
C42 C41 H41 118.9 . . ?
C40 C41 H41 118.9 . . ?
C41 C42 C43 116.7(8) . . ?
C41 C42 C45 121.3(9) . . ?
C43 C42 C45 122.0(8) . . ?
C42 C43 C44 122.4(8) . . ?
C42 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
C39 C44 C43 120.4(8) . . ?
C39 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 Pt1 176.4(8) . . ?
C46 C47 C48 177.2(8) . . ?
C53 C48 C49 116.3(9) . . ?
C53 C48 C47 121.5(7) . . ?
C49 C48 C47 122.2(8) . . ?
C48 C49 C50 120.2(10) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C51 C50 C49 122.8(10) . . ?
C51 C50 H50 118.6 . . ?
C49 C50 H50 118.6 . . ?
C50 C51 C52 116.7(8) . . ?
C50 C51 C54 119.6(9) . . ?
C52 C51 C54 123.6(9) . . ?
C51 C52 C53 121.8(9) . . ?
C51 C52 H52 119.1 . . ?
C53 C52 H52 119.1 . . ?
C48 C53 C52 122.0(9) . . ?
C48 C53 H53 119 . . ?
C52 C53 H53 119 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Pt1 176.9(8) . . ?
C55 C56 C57 174.5(9) . . ?
C58 C57 C60 118.1(8) . . ?
C58 C57 C56 122.0(8) . . ?
C60 C57 C56 119.9(8) . . ?
C57 C58 C59 119.8(8) . . ?
C57 C58 H58 120.1 . . ?
C59 C58 H58 120.1 . . ?
C62 C59 C58 123.6(9) . . ?
C62 C59 H59 118.2 . . ?
C58 C59 H59 118.2 . . ?
C61 C60 C57 120.3(9) . . ?
C61 C60 H60 119.8 . . ?
C57 C60 H60 119.8 . . ?
C60 C61 C62 122.0(8) . . ?
C60 C61 H61 119 . . ?
C62 C61 H61 119 . . ?
C59 C62 C61 116.1(8) . . ?
C59 C62 C63 124.3(9) . . ?
C61 C62 C63 119.5(9) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 Pt1 174.2(8) . . ?
C64 C65 C66 175.9(9) . . ?
C67 C66 C71 116.7(8) . . ?
C67 C66 C65 122.7(8) . . ?
C71 C66 C65 120.6(7) . . ?
C68 C67 C66 122.3(8) . . ?
C68 C67 H67 118.8 . . ?
C66 C67 H67 118.8 . . ?
C67 C68 C69 122.9(8) . . ?
C67 C68 H68 118.5 . . ?
C69 C68 H68 118.5 . . ?
C68 C69 C70 115.5(8) . . ?
C68 C69 C72 123.2(8) . . ?
C70 C69 C72 121.3(8) . . ?
C71 C70 C69 122.5(8) . . ?
C71 C70 H70 118.8 . . ?
C69 C70 H70 118.8 . . ?
C70 C71 C66 120.1(7) . . ?
C70 C71 H71 119.9 . . ?
C66 C71 H71 119.9 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N1 C73 C74 114.7(6) . . ?
N1 C73 H73A 108.6 . . ?
C74 C73 H73A 108.6 . . ?
N1 C73 H73B 108.6 . . ?
C74 C73 H73B 108.6 . . ?
H73A C73 H73B 107.6 . . ?
C73 C74 C75 110.8(7) . . ?
C73 C74 H74A 109.5 . . ?
C75 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C75 C74 H74B 109.5 . . ?
H74A C74 H74B 108.1 . . ?
C74 C75 C76 110.5(8) . . ?
C74 C75 H75A 109.5 . . ?
C76 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
C76 C75 H75B 109.5 . . ?
H75A C75 H75B 108.1 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N1 C77 C78 115.5(6) . . ?
N1 C77 H77A 108.4 . . ?
C78 C77 H77A 108.4 . . ?
N1 C77 H77B 108.4 . . ?
C78 C77 H77B 108.4 . . ?
H77A C77 H77B 107.5 . . ?
C77 C78 C79 107.5(6) . . ?
C77 C78 H78A 110.2 . . ?
C79 C78 H78A 110.2 . . ?
C77 C78 H78B 110.2 . . ?
C79 C78 H78B 110.2 . . ?
H78A C78 H78B 108.5 . . ?
C78 C79 C80 111.6(7) . . ?
C78 C79 H79A 109.3 . . ?
C80 C79 H79A 109.3 . . ?
C78 C79 H79B 109.3 . . ?
C80 C79 H79B 109.3 . . ?
H79A C79 H79B 108 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N1 C81 C82 117.4(7) . . ?
N1 C81 H81A 108 . . ?
C82 C81 H81A 108 . . ?
N1 C81 H81B 108 . . ?
C82 C81 H81B 108 . . ?
H81A C81 H81B 107.2 . . ?
C83 C82 C81 110.3(7) . . ?
C83 C82 H82A 109.6 . . ?
C81 C82 H82A 109.6 . . ?
C83 C82 H82B 109.6 . . ?
C81 C82 H82B 109.6 . . ?
H82A C82 H82B 108.1 . . ?
C82 C83 C84 112.6(8) . . ?
C82 C83 H83A 109.1 . . ?
C84 C83 H83A 109.1 . . ?
C82 C83 H83B 109.1 . . ?
C84 C83 H83B 109.1 . . ?
H83A C83 H83B 107.8 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 N1 116.4(6) . . ?
C86 C85 H85A 108.2 . . ?
N1 C85 H85A 108.2 . . ?
C86 C85 H85B 108.2 . . ?
N1 C85 H85B 108.2 . . ?
H85A C85 H85B 107.3 . . ?
C85 C86 C87 112.6(6) . . ?
C85 C86 H86A 109.1 . . ?
C87 C86 H86A 109.1 . . ?
C85 C86 H86B 109.1 . . ?
C87 C86 H86B 109.1 . . ?
H86A C86 H86B 107.8 . . ?
C88 C87 C86 112.9(7) . . ?
C88 C87 H87A 109 . . ?
C86 C87 H87A 109 . . ?
C88 C87 H87B 109 . . ?
C86 C87 H87B 109 . . ?
H87A C87 H87B 107.8 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 N2 117.4(6) . . ?
C90 C89 H89A 107.9 . . ?
N2 C89 H89A 107.9 . . ?
C90 C89 H89B 107.9 . . ?
N2 C89 H89B 107.9 . . ?
H89A C89 H89B 107.2 . . ?
C89 C90 C91 106.7(6) . . ?
C89 C90 H90A 110.4 . . ?
C91 C90 H90A 110.4 . . ?
C89 C90 H90B 110.4 . . ?
C91 C90 H90B 110.4 . . ?
H90A C90 H90B 108.6 . . ?
C92 C91 C90 113.9(7) . . ?
C92 C91 H91A 108.8 . . ?
C90 C91 H91A 108.8 . . ?
C92 C91 H91B 108.8 . . ?
C90 C91 H91B 108.8 . . ?
H91A C91 H91B 107.7 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 N2 116.9(6) . . ?
C94 C93 H93A 108.1 . . ?
N2 C93 H93A 108.1 . . ?
C94 C93 H93B 108.1 . . ?
N2 C93 H93B 108.1 . . ?
H93A C93 H93B 107.3 . . ?
C95 C94 C93 111.3(7) . . ?
C95 C94 H94A 109.4 . . ?
C93 C94 H94A 109.4 . . ?
C95 C94 H94B 109.4 . . ?
C93 C94 H94B 109.4 . . ?
H94A C94 H94B 108 . . ?
C94 C95 C96 112.7(8) . . ?
C94 C95 H95A 109.1 . . ?
C96 C95 H95A 109.1 . . ?
C94 C95 H95B 109.1 . . ?
C96 C95 H95B 109.1 . . ?
H95A C95 H95B 107.8 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N2 C97 C98 115.9(7) . . ?
N2 C97 H97A 108.3 . . ?
C98 C97 H97A 108.3 . . ?
N2 C97 H97B 108.3 . . ?
C98 C97 H97B 108.3 . . ?
H97A C97 H97B 107.4 . . ?
C97 C98 C99 108.7(8) . . ?
C97 C98 H98A 109.9 . . ?
C99 C98 H98A 109.9 . . ?
C97 C98 H98B 109.9 . . ?
C99 C98 H98B 109.9 . . ?
H98A C98 H98B 108.3 . . ?
C100 C99 C98 110.9(9) . . ?
C100 C99 H99A 109.5 . . ?
C98 C99 H99A 109.5 . . ?
C100 C99 H99B 109.5 . . ?
C98 C99 H99B 109.5 . . ?
H99A C99 H99B 108.1 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 N2 114.7(7) . . ?
C102 C101 H10D 108.6 . . ?
N2 C101 H10D 108.6 . . ?
C102 C101 H10E 108.6 . . ?
N2 C101 H10E 108.6 . . ?
H10D C101 H10E 107.6 . . ?
C103 C102 C101 110.1(8) . . ?
C103 C102 H10F 109.6 . . ?
C101 C102 H10F 109.6 . . ?
C103 C102 H10G 109.6 . . ?
C101 C102 H10G 109.6 . . ?
H10F C102 H10G 108.2 . . ?
C102 C103 C104 110.4(10) . . ?
C102 C103 H10H 109.6 . . ?
C104 C103 H10H 109.6 . . ?
C102 C103 H10I 109.6 . . ?
C104 C103 H10I 109.6 . . ?
H10H C103 H10I 108.1 . . ?
C103 C104 H10J 109.5 . . ?
C103 C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C103 C104 H10L 109.5 . . ?
H10J C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
Cl2 C105 Cl1 110.6(7) . . ?
Cl2 C105 H10M 109.5 . . ?
Cl1 C105 H10M 109.5 . . ?
Cl2 C105 H10N 109.5 . . ?
Cl1 C105 H10N 109.5 . . ?
H10M C105 H10N 108.1 . . ?
C105 Cl1 O1A 99.3(7) . . ?
Cl6 C107 Cl5 111.8(6) . . ?
Cl6 C107 H10O 109.2 . . ?
Cl5 C107 H10O 109.2 . . ?
Cl6 C107 H10P 109.2 . . ?
Cl5 C107 H10P 109.2 . . ?
H10O C107 H10P 107.9 . . ?
Cl7 C108 Cl8 111.9(6) . . ?
Cl7 C108 H10Q 109.2 . . ?
Cl8 C108 H10Q 109.2 . . ?
Cl7 C108 H10R 109.2 . . ?
Cl8 C108 H10R 109.2 . . ?
H10Q C108 H10R 107.9 . . ?
Cl4 C106 Cl3A 119.1(10) . . ?
Cl4 C106 Cl3B 102.4(8) . . ?
Cl3A C106 Cl3B 42.0(5) . . ?
Cl4 C106 H10S 107.5 . . ?
Cl3A C106 H10S 107.5 . . ?
Cl3B C106 H10S 146.2 . . ?
Cl4 C106 H10T 107.5 . . ?
Cl3A C106 H10T 107.5 . . ?
Cl3B C106 H10T 77.9 . . ?
H10S C106 H10T 107 . . ?
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
Pt1 C46 1.967(9) . ?
Pt1 C64 1.989(8) . ?
Pt1 C55 2.007(9) . ?
Pt1 C37 2.012(8) . ?
Pt1 Pb1A 2.8685(13) . ?
Pt1 Pb1B 2.9109(5) . ?
Pt2 C1 2.015(9) . ?
Pt2 C10 2.019(10) . ?
Pt2 C28 2.024(8) . ?
Pt2 C19 2.032(9) . ?
Pt2 Pb1B 2.8908(5) . ?
Pt2 Pb1A 2.9651(12) . ?
Pb1A O1A 2.40(2) . ?
Pb1A O2A 2.44(3) . ?
O1A Cl1 1.97(2) . ?
Pb1B O2B 2.439(10) . ?
Pb1B O1B 2.469(8) . ?
N1 C81 1.497(10) . ?
N1 C77 1.513(9) . ?
N1 C85 1.510(9) . ?
N1 C73 1.522(9) . ?
N2 C97 1.501(11) . ?
N2 C89 1.524(9) . ?
N2 C101 1.535(10) . ?
N2 C93 1.535(10) . ?
C1 C2 1.211(12) . ?
C2 C3 1.446(12) . ?
C3 C8 1.375(12) . ?
C3 C4 1.410(12) . ?
C4 C5 1.400(14) . ?
C4 H4 0.93 . ?
C5 C6 1.365(14) . ?
C5 H5 0.93 . ?
C6 C7 1.360(13) . ?
C6 C9 1.496(12) . ?
C7 C8 1.384(12) . ?
C7 H7 0.93 . ?
C8 H8 0.93 . ?
C9 H9A 0.96 . ?
C9 H9B 0.96 . ?
C9 H9C 0.96 . ?
C10 C11 1.212(12) . ?
C11 C12 1.424(11) . ?
C12 C16 1.405(12) . ?
C12 C13 1.428(11) . ?
C13 C14 1.374(12) . ?
C13 H13 0.93 . ?
C14 C15 1.351(11) . ?
C14 H14 0.93 . ?
C15 C17 1.408(12) . ?
C15 C18 1.525(11) . ?
C16 C17 1.396(12) . ?
C16 H16 0.93 . ?
C17 H17 0.93 . ?
C18 H18A 0.96 . ?
C18 H18B 0.96 . ?
C18 H18C 0.96 . ?
C19 C20 1.171(11) . ?
C20 C21 1.441(11) . ?
C21 C26 1.394(12) . ?
C21 C22 1.397(12) . ?
C22 C23 1.416(12) . ?
C22 H22 0.93 . ?
C23 C24 1.393(13) . ?
C23 H23 0.93 . ?
C24 C25 1.365(13) . ?
C24 C27 1.523(12) . ?
C25 C26 1.407(12) . ?
C25 H25 0.93 . ?
C26 H26 0.93 . ?
C27 H27A 0.96 . ?
C27 H27B 0.96 . ?
C27 H27C 0.96 . ?
C28 C29 1.186(12) . ?
C29 C30 1.459(12) . ?
C30 C35 1.360(11) . ?
C30 C31 1.390(12) . ?
C31 C32 1.385(12) . ?
C31 H31 0.93 . ?
C32 C33 1.395(13) . ?
C32 H32 0.93 . ?
C33 C34 1.365(14) . ?
C33 C36 1.546(13) . ?
C34 C35 1.377(13) . ?
C34 H34 0.93 . ?
C35 H35 0.93 . ?
C36 H36A 0.96 . ?
C36 H36B 0.96 . ?
C36 H36C 0.96 . ?
C37 C38 1.197(12) . ?
C38 C39 1.456(12) . ?
C39 C44 1.374(12) . ?
C39 C40 1.405(11) . ?
C40 C41 1.392(12) . ?
C40 H40 0.93 . ?
C41 C42 1.374(13) . ?
C41 H41 0.93 . ?
C42 C43 1.391(12) . ?
C42 C45 1.509(11) . ?
C43 C44 1.385(12) . ?
C43 H43 0.93 . ?
C44 H44 0.93 . ?
C45 H45A 0.96 . ?
C45 H45B 0.96 . ?
C45 H45C 0.96 . ?
C46 C47 1.260(12) . ?
C47 C48 1.430(11) . ?
C48 C53 1.361(13) . ?
C48 C49 1.374(13) . ?
C49 C50 1.408(15) . ?
C49 H49 0.93 . ?
C50 C51 1.328(14) . ?
C50 H50 0.93 . ?
C51 C52 1.361(12) . ?
C51 C54 1.494(11) . ?
C52 C53 1.381(13) . ?
C52 H52 0.93 . ?
C53 H53 0.93 . ?
C54 H54A 0.96 . ?
C54 H54B 0.96 . ?
C54 H54C 0.96 . ?
C55 C56 1.230(12) . ?
C56 C57 1.448(12) . ?
C57 C58 1.369(12) . ?
C57 C60 1.414(12) . ?
C58 C59 1.372(11) . ?
C58 H58 0.93 . ?
C59 C62 1.355(13) . ?
C59 H59 0.93 . ?
C60 C61 1.341(12) . ?
C60 H60 0.93 . ?
C61 C62 1.410(13) . ?
C61 H61 0.93 . ?
C62 C63 1.525(13) . ?
C63 H63A 0.96 . ?
C63 H63B 0.96 . ?
C63 H63C 0.96 . ?
C64 C65 1.250(12) . ?
C65 C66 1.431(12) . ?
C66 C67 1.372(12) . ?
C66 C71 1.383(11) . ?
C67 C68 1.358(13) . ?
C67 H67 0.93 . ?
C68 C69 1.356(12) . ?
C68 H68 0.93 . ?
C69 C70 1.392(11) . ?
C69 C72 1.519(11) . ?
C70 C71 1.387(11) . ?
C70 H70 0.93 . ?
C71 H71 0.93 . ?
C72 H72A 0.96 . ?
C72 H72B 0.96 . ?
C72 H72C 0.96 . ?
C73 C74 1.529(11) . ?
C73 H73A 0.97 . ?
C73 H73B 0.97 . ?
C74 C75 1.527(12) . ?
C74 H74A 0.97 . ?
C74 H74B 0.97 . ?
C75 C76 1.568(14) . ?
C75 H75A 0.97 . ?
C75 H75B 0.97 . ?
C76 H76A 0.96 . ?
C76 H76B 0.96 . ?
C76 H76C 0.96 . ?
C77 C78 1.541(12) . ?
C77 H77A 0.97 . ?
C77 H77B 0.97 . ?
C78 C79 1.544(11) . ?
C78 H78A 0.97 . ?
C78 H78B 0.97 . ?
C79 C80 1.548(12) . ?
C79 H79A 0.97 . ?
C79 H79B 0.97 . ?
C80 H80A 0.96 . ?
C80 H80B 0.96 . ?
C80 H80C 0.96 . ?
C81 C82 1.524(10) . ?
C81 H81A 0.97 . ?
C81 H81B 0.97 . ?
C82 C83 1.506(12) . ?
C82 H82A 0.97 . ?
C82 H82B 0.97 . ?
C83 C84 1.544(13) . ?
C83 H83A 0.97 . ?
C83 H83B 0.97 . ?
C84 H84A 0.96 . ?
C84 H84B 0.96 . ?
C84 H84C 0.96 . ?
C85 C86 1.486(10) . ?
C85 H85A 0.97 . ?
C85 H85B 0.97 . ?
C86 C87 1.560(10) . ?
C86 H86A 0.97 . ?
C86 H86B 0.97 . ?
C87 C88 1.513(11) . ?
C87 H87A 0.97 . ?
C87 H87B 0.97 . ?
C88 H88A 0.96 . ?
C88 H88B 0.96 . ?
C88 H88C 0.96 . ?
C89 C90 1.507(11) . ?
C89 H89A 0.97 . ?
C89 H89B 0.97 . ?
C90 C91 1.514(10) . ?
C90 H90A 0.97 . ?
C90 H90B 0.97 . ?
C91 C92 1.467(11) . ?
C91 H91A 0.97 . ?
C91 H91B 0.97 . ?
C92 H92A 0.96 . ?
C92 H92B 0.96 . ?
C92 H92C 0.96 . ?
C93 C94 1.510(11) . ?
C93 H93A 0.97 . ?
C93 H93B 0.97 . ?
C94 C95 1.489(12) . ?
C94 H94A 0.97 . ?
C94 H94B 0.97 . ?
C95 C96 1.550(12) . ?
C95 H95A 0.97 . ?
C95 H95B 0.97 . ?
C96 H96A 0.96 . ?
C96 H96B 0.96 . ?
C96 H96C 0.96 . ?
C97 C98 1.521(14) . ?
C97 H97A 0.97 . ?
C97 H97B 0.97 . ?
C98 C99 1.541(13) . ?
C98 H98A 0.97 . ?
C98 H98B 0.97 . ?
C99 C100 1.510(14) . ?
C99 H99A 0.97 . ?
C99 H99B 0.97 . ?
C100 H10A 0.96 . ?
C100 H10B 0.96 . ?
C100 H10C 0.96 . ?
C101 C102 1.524(12) . ?
C101 H10D 0.97 . ?
C101 H10E 0.97 . ?
C102 C103 1.514(13) . ?
C102 H10F 0.97 . ?
C102 H10G 0.97 . ?
C103 C104 1.524(16) . ?
C103 H10H 0.97 . ?
C103 H10I 0.97 . ?
C104 H10J 0.96 . ?
C104 H10K 0.96 . ?
C104 H10L 0.96 . ?
C105 Cl2 1.714(12) . ?
C105 Cl1 1.784(11) . ?
C105 H10M 0.97 . ?
C105 H10N 0.97 . ?
C107 Cl6 1.737(11) . ?
C107 Cl5 1.768(10) . ?
C107 H10O 0.97 . ?
C107 H10P 0.97 . ?
C108 Cl7 1.758(10) . ?
C108 Cl8 1.761(10) . ?
C108 H10Q 0.97 . ?
C108 H10R 0.97 . ?
C106 Cl4 1.690(13) . ?
C106 Cl3A 1.694(14) . ?
C106 Cl3B 1.853(18) . ?
C106 H10S 0.97 . ?
C106 H10T 0.97 . ?
