#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:55:59 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233190 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/86/4348615.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_4348615
loop_
_publ_author_name
'Kang, Jiajia'
'Zhang, Xiaoxin'
'Zhou, Huajun'
'Gai, Xuqiao'
'Jia, Ting'
'Xu, Liang'
'Zhang, Jianjun'
'Li, Yanqin'
'Ni, Jun'
_publ_section_title
;
 1-D "Platinum Wire" Stacking Structure Built of Platinum(II)
 Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10208
_journal_page_last               10217
_journal_paper_doi               10.1021/acs.inorgchem.6b01426
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C62 H51 Br4 N5 Pt2'
_chemical_formula_weight         1575.90
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                99.006(4)
_cell_angle_beta                 95.653(3)
_cell_angle_gamma                98.947(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9811(4)
_cell_length_b                   15.4169(8)
_cell_length_c                   20.7934(11)
_cell_measurement_reflns_used    3485
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.15
_cell_measurement_theta_min      2.40
_cell_volume                     2786.6(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart APEX II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13825
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    7.927
_exptl_absorpt_correction_T_max  0.278
_exptl_absorpt_correction_T_min  0.227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.931
_refine_diff_density_min         -1.667
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         9659
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0873P)²+1.8900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1547
_reflns_number_gt                7222
_reflns_number_total             9659
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01426_si_003.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4348615
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
Br1 Br 0.15170(18) -0.34718(8) -0.11637(8) 0.0796(5) Uani 1 1 d . . .
Br2 Br -0.25467(12) 0.03463(8) -0.22318(5) 0.0472(3) Uani 1 1 d . . .
Br3 Br 1.01455(16) 0.83006(8) 0.54312(6) 0.0630(4) Uani 1 1 d . . .
Br4 Br 1.18501(15) 0.46844(9) 0.26261(8) 0.0717(4) Uani 1 1 d . . .
C1 C 0.3251(10) -0.1137(6) 0.0126(5) 0.039(2) Uani 1 1 d . . .
H1 H 0.3986 -0.0954 0.0490 0.047 Uiso 1 1 calc R . .
C01 C 0.2862(14) 0.2317(7) 0.2440(6) 0.056(3) Uani 1 1 d . . .
C2 C 0.2989(12) -0.2029(7) -0.0181(6) 0.047(3) Uani 1 1 d . . .
H2 H 0.3558 -0.2430 -0.0034 0.057 Uiso 1 1 calc R . .
C02 C 0.4531(13) 0.2389(9) 0.2471(7) 0.074(4) Uani 1 1 d . . .
H02A H 0.4787 0.2166 0.2046 0.111 Uiso 1 1 calc R . .
H02B H 0.4884 0.2045 0.2782 0.111 Uiso 1 1 calc R . .
H02C H 0.5004 0.3002 0.2604 0.111 Uiso 1 1 calc R . .
C3 C 0.1871(12) -0.2297(6) -0.0703(5) 0.041(2) Uani 1 1 d . . .
C4 C 0.1041(10) -0.1689(6) -0.0919(5) 0.037(2) Uani 1 1 d . . .
H4 H 0.0258 -0.1867 -0.1265 0.044 Uiso 1 1 calc R . .
C5 C 0.1416(10) -0.0799(6) -0.0601(5) 0.034(2) Uani 1 1 d . . .
C6 C 0.0674(11) -0.0077(6) -0.0825(5) 0.035(2) Uani 1 1 d . . .
C7 C -0.0460(10) -0.0215(6) -0.1338(5) 0.034(2) Uani 1 1 d . . .
H7 H -0.0846 -0.0790 -0.1561 0.041 Uiso 1 1 calc R . .
C8 C -0.1022(11) 0.0495(6) -0.1521(5) 0.036(2) Uani 1 1 d . . .
C9 C -0.0456(11) 0.1343(7) -0.1173(5) 0.041(2) Uani 1 1 d . . .
H9 H -0.0831 0.1834 -0.1288 0.049 Uiso 1 1 calc R . .
C10 C 0.0680(11) 0.1449(7) -0.0648(5) 0.040(2) Uani 1 1 d . . .
H10 H 0.1057 0.2018 -0.0413 0.048 Uiso 1 1 calc R . .
C11 C 0.4555(11) 0.0725(6) 0.0965(5) 0.036(2) Uani 1 1 d . A .
C12 C 0.5516(11) 0.0609(7) 0.1373(5) 0.041(2) Uani 1 1 d . . .
C13 C 0.6591(10) 0.0376(7) 0.1842(5) 0.038(2) Uani 1 1 d . . .
C14 C 0.6600(12) -0.0520(7) 0.1896(6) 0.049(3) Uani 1 1 d . . .
H14 H 0.5898 -0.0962 0.1620 0.058 Uiso 1 1 calc R . .
C15 C 0.7586(12) -0.0760(7) 0.2333(5) 0.047(3) Uani 1 1 d . . .
H15 H 0.7585 -0.1363 0.2336 0.056 Uiso 1 1 calc R . .
C16 C 0.8618(11) -0.0125(7) 0.2783(5) 0.039(2) Uani 1 1 d . . .
C17 C 0.8638(11) 0.0760(7) 0.2727(5) 0.040(2) Uani 1 1 d . . .
H17 H 0.9339 0.1199 0.3007 0.048 Uiso 1 1 calc R . .
C18 C 0.7650(12) 0.1009(7) 0.2269(5) 0.042(3) Uani 1 1 d . . .
H18 H 0.7695 0.1610 0.2246 0.051 Uiso 1 1 calc R . .
C19 C 0.9641(12) -0.0398(8) 0.3317(6) 0.051(3) Uani 1 1 d . . .
H19A H 1.0050 -0.0913 0.3128 0.061 Uiso 1 1 calc R . .
H19B H 1.0489 0.0085 0.3477 0.061 Uiso 1 1 calc R . .
C20 C 0.8840(13) -0.0622(8) 0.3887(6) 0.061(3) Uani 1 1 d . . .
H20A H 0.8535 -0.0097 0.4109 0.092 Uiso 1 1 calc R . .
H20B H 0.9515 -0.0840 0.4186 0.092 Uiso 1 1 calc R . .
H20C H 0.7959 -0.1072 0.3730 0.092 Uiso 1 1 calc R . .
C21 C 0.3252(12) 0.2112(7) 0.0529(5) 0.046(3) Uani 1 1 d . A .
C22 C 0.3349(15) 0.2918(8) 0.0639(6) 0.058(3) Uani 1 1 d . . .
C23 C 0.32501(19) 0.38511(3) 0.07941(3) 0.061(4) Uani 0.606(11) 1 d PGU A 1
C24 C 0.4223(2) 0.44058(2) 0.13073(3) 0.079(5) Uani 0.606(11) 1 d PGU A 1
H24 H 0.4955 0.4178 0.1547 0.095 Uiso 0.606(11) 1 calc PR A 1
C25 C 0.4103(3) 0.53005(2) 0.14623(3) 0.082(5) Uani 0.606(11) 1 d PGU A 1
H25 H 0.4754 0.5672 0.1806 0.099 Uiso 0.606(11) 1 calc PR A 1
C26 C 0.3010(3) 0.56405(4) 0.11042(4) 0.079(5) Uani 0.606(11) 1 d PGDU A 1
C27 C 0.2036(3) 0.50858(5) 0.05909(4) 0.082(5) Uani 0.606(11) 1 d PGU A 1
H27 H 0.1305 0.5313 0.0351 0.098 Uiso 0.606(11) 1 calc PR A 1
C28 C 0.2157(2) 0.41911(4) 0.04359(4) 0.078(5) Uani 0.606(11) 1 d PGU A 1
H28 H 0.1505 0.3820 0.0093 0.093 Uiso 0.606(11) 1 calc PR A 1
C29 C 0.2900(4) 0.66661(5) 0.12864(5) 0.087(6) Uani 0.606(11) 1 d PGDU A 1
H29A H 0.2330 0.6838 0.0921 0.104 Uiso 0.606(11) 1 calc PR A 1
H29B H 0.2340 0.6748 0.1661 0.104 Uiso 0.606(11) 1 calc PR A 1
C30 C 0.4400(4) 0.72654(3) 0.14452(5) 0.124(9) Uani 0.606(11) 1 d PGDU A 1
H30A H 0.4805 0.7266 0.1890 0.185 Uiso 0.606(11) 1 calc PR A 1
H30B H 0.4280 0.7860 0.1394 0.185 Uiso 0.606(11) 1 calc PR A 1
H30C H 0.5085 0.7057 0.1154 0.185 Uiso 0.606(11) 1 calc PR A 1
C23' C 0.4082(2) 0.39183(2) 0.07354(2) 0.104(8) Uani 0.394(11) 1 d PGU A 2
C24' C 0.3976(2) 0.43367(2) 0.13677(3) 0.106(8) Uani 0.394(11) 1 d PGU A 2
H24' H 0.3831 0.4000 0.1698 0.127 Uiso 0.394(11) 1 calc PR A 2
C25' C 0.4087(3) 0.52579(3) 0.15066(3) 0.103(8) Uani 0.394(11) 1 d PGU A 2
H25' H 0.4017 0.5538 0.1930 0.123 Uiso 0.394(11) 1 calc PR A 2
C26' C 0.4303(3) 0.57605(2) 0.10133(4) 0.093(7) Uani 0.394(11) 1 d PGDU A 2
C27' C 0.4409(3) 0.53421(3) 0.03809(3) 0.093(8) Uani 0.394(11) 1 d PGU . 2
H27' H 0.4554 0.5678 0.0051 0.112 Uiso 0.394(11) 1 calc PR A 2
C28' C 0.4298(3) 0.44208(3) 0.02420(3) 0.099(8) Uani 0.394(11) 1 d PGU . 2
H28' H 0.4369 0.4141 -0.0181 0.119 Uiso 0.394(11) 1 calc PR A 2
C29' C 0.4170(4) 0.67439(3) 0.11431(5) 0.097(8) Uani 0.394(11) 1 d PGDU A 2
H29C H 0.5175 0.7082 0.1142 0.116 Uiso 0.394(11) 1 calc PR A 2
H29D H 0.3534 0.6852 0.0769 0.116 Uiso 0.394(11) 1 calc PR A 2
C30' C 0.3575(4) 0.71391(4) 0.17412(5) 0.124(12) Uani 0.394(11) 1 d PGDU A 2
H30D H 0.2636 0.6776 0.1789 0.186 Uiso 0.394(11) 1 calc PR A 2
H30E H 0.3405 0.7730 0.1704 0.186 Uiso 0.394(11) 1 calc PR A 2
H30F H 0.4301 0.7167 0.2119 0.186 Uiso 0.394(11) 1 calc PR A 2
C31 C 0.73463(12) 0.59254(3) 0.54793(2) 0.053(3) Uani 1 1 d G . .
H31 H 0.6614 0.5719 0.5732 0.063 Uiso 1 1 calc R . .
C32 C 0.80088(17) 0.68166(3) 0.56078(3) 0.058(3) Uani 1 1 d G . .
H32 H 0.7704 0.7215 0.5932 0.070 Uiso 1 1 calc R . .
C33 C 0.91419(19) 0.71029(4) 0.52404(3) 0.047(3) Uani 1 1 d G . .
C34 C 0.96051(17) 0.65308(6) 0.47381(2) 0.051(3) Uani 1 1 d G . .
H34 H 1.0377 0.6721 0.4499 0.061 Uiso 1 1 calc R . .
C35 C 0.88256(12) 0.56555(5) 0.46224(2) 0.050(3) Uani 1 1 d G . .
C36 C 0.91037(10) 0.49715(6) 0.40853(2) 0.046(3) Uani 1 1 d G . .
C37 C 1.02177(12) 0.51538(9) 0.36920(3) 0.050(3) Uani 1 1 d G . .
H37 H 1.0831 0.5712 0.3753 0.060 Uiso 1 1 calc R . .
C38 C 1.03888(9) 0.44644(11) 0.31967(3) 0.053(3) Uani 1 1 d G . .
C39 C 0.94642(5) 0.36204(9) 0.31095(3) 0.055(3) Uani 1 1 d G . .
H39 H 0.9561 0.3166 0.2773 0.066 Uiso 1 1 calc R . .
C40 C 0.84134(4) 0.34878(6) 0.35376(2) 0.053(3) Uani 1 1 d G . .
H40 H 0.7800 0.2931 0.3490 0.063 Uiso 1 1 calc R . .
C41 C 0.56695(6) 0.39991(5) 0.546201(16) 0.056(3) Uani 1 1 d G . .
C42 C 0.49893(8) 0.40040(7) 0.594316(19) 0.057(3) Uani 1 1 d G . .
C43 C 0.40030(10) 0.39951(10) 0.64712(2) 0.048(3) Uani 1 1 d G . .
C44 C 0.39676(8) 0.47798(11) 0.69001(3) 0.064(4) Uani 1 1 d G . .
H44 H 0.4585 0.5311 0.6869 0.077 Uiso 1 1 calc R . .
C45 C 0.29876(10) 0.47493(14) 0.73756(4) 0.078(4) Uani 1 1 d G . .
H45 H 0.2928 0.5270 0.7658 0.094 Uiso 1 1 calc R . .
C46 C 0.20644(13) 0.39245(16) 0.74375(4) 0.074(4) Uani 1 1 d G . .
C47 C 0.21278(16) 0.31628(15) 0.70036(3) 0.074(4) Uani 1 1 d G . .
H47 H 0.1534 0.2623 0.7033 0.088 Uiso 1 1 calc R . .
C48 C 0.30847(14) 0.32090(12) 0.65233(2) 0.066(4) Uani 1 1 d G . .
H48 H 0.3111 0.2695 0.6226 0.080 Uiso 1 1 calc R . .
C49 C 0.10153(16) 0.39052(19) 0.79686(4) 0.112(6) Uani 1 1 d G . .
H49A H 0.0769 0.4497 0.8079 0.135 Uiso 1 1 calc R . .
H49B H 0.0076 0.3505 0.7784 0.135 Uiso 1 1 calc R . .
C50 C 0.1555(2) 0.36439(19) 0.85539(4) 0.167(11) Uani 1 1 d G . .
H50A H 0.1839 0.3067 0.8455 0.251 Uiso 1 1 calc R . .
H50B H 0.0771 0.3617 0.8836 0.251 Uiso 1 1 calc R . .
H50C H 0.2424 0.4070 0.8771 0.251 Uiso 1 1 calc R . .
C51 C 0.59507(8) 0.27397(3) 0.444380(14) 0.047(3) Uani 1 1 d G . .
C52 C 0.54180(12) 0.19851(3) 0.428283(16) 0.049(3) Uani 1 1 d G . .
C53 C 0.48057(18) 0.10448(3) 0.414690(18) 0.040(2) Uani 1 1 d G . .
C54 C 0.3726(2) 0.06854(6) 0.453826(17) 0.043(2) Uani 1 1 d G . .
H54 H 0.3367 0.1068 0.4855 0.051 Uiso 1 1 calc R . .
C55 C 0.3212(3) -0.02134(6) 0.44540(2) 0.053(3) Uani 1 1 d G . .
H55 H 0.2509 -0.0430 0.4715 0.064 Uiso 1 1 calc R . .
C56 C 0.3717(3) -0.08094(4) 0.39871(3) 0.058(3) Uani 1 1 d GDU . .
C57 C 0.4736(3) -0.04757(2) 0.35891(3) 0.049(3) Uani 1 1 d G . .
H57 H 0.5055 -0.0864 0.3263 0.058 Uiso 1 1 calc R . .
C58 C 0.5287(2) 0.04369(2) 0.36736(2) 0.049(3) Uani 1 1 d G . .
H58 H 0.5990 0.0646 0.3409 0.058 Uiso 1 1 calc R . .
C59 C 0.3340(4) -0.18833(5) 0.39090(3) 0.106(5) Uani 1 1 d RDU . .
H59A H 0.4258 -0.2082 0.4070 0.127 Uiso 1 1 calc R . .
H59B H 0.2590 -0.2028 0.4198 0.127 Uiso 1 1 calc R . .
C60 C 0.2786(4) -0.24103(4) 0.32602(3) 0.189(11) Uani 1 1 d RDU . .
H60A H 0.2614 -0.3032 0.3290 0.284 Uiso 1 1 calc R . .
H60B H 0.3528 -0.2300 0.2967 0.284 Uiso 1 1 calc R . .
H60C H 0.1852 -0.2246 0.3096 0.284 Uiso 1 1 calc R . .
N1 N 0.24878(9) -0.05395(2) -0.008302(18) 0.0331(18) Uani 1 1 d G A .
N01 N 0.16199(3) 0.22700(8) 0.23985(3) 0.075(3) Uani 1 1 d G . .
N2 N 0.12546(6) 0.07506(4) -0.046868(18) 0.0312(17) Uani 1 1 d G A .
N3 N 0.77463(10) 0.53440(3) 0.498912(19) 0.046(2) Uani 1 1 d G . .
N4 N 0.82443(5) 0.41473(5) 0.402920(19) 0.044(2) Uani 1 1 d G . .
Pt1 Pt 0.29486(4) 0.08117(2) 0.027926(14) 0.03403(13) Uani 1 1 d G . .
Pt2 Pt 0.68236(5) 0.40172(3) 0.474130(15) 0.04841(15) Uani 1 1 d G . .
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'
Br Br -0.2901 2.4595 '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'
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
N1 C1 C2 122.4(9) .
N01 C01 C02 177.9(14) .
C3 C2 C1 118.3(10) .
C2 C3 C4 120.2(9) .
C2 C3 Br1 120.6(8) .
C4 C3 Br1 119.1(8) .
C3 C4 C5 118.0(9) .
N1 C5 C4 121.8(8) .
N1 C5 C6 115.7(8) .
C4 C5 C6 122.5(9) .
C7 C6 N2 122.6(8) .
C7 C6 C5 124.1(9) .
N2 C6 C5 113.2(8) .
C8 C7 C6 119.7(9) .
C7 C8 C9 119.2(9) .
C7 C8 Br2 121.5(7) .
C9 C8 Br2 119.3(7) .
C8 C9 C10 119.0(9) .
N2 C10 C9 122.0(8) .
C12 C11 Pt1 175.5(9) .
C11 C12 C13 174.1(11) .
C18 C13 C14 116.7(10) .
C18 C13 C12 122.5(10) .
C14 C13 C12 120.8(9) .
C15 C14 C13 122.2(10) .
C14 C15 C16 121.5(10) .
C17 C16 C15 116.7(9) .
C17 C16 C19 122.0(9) .
C15 C16 C19 121.3(10) .
C18 C17 C16 121.9(9) .
C17 C18 C13 120.9(10) .
C20 C19 C16 113.5(9) .
C22 C21 Pt1 174.5(10) .
C21 C22 C23 171.9(13) .
C21 C22 C23' 158.9(12) .
C23 C22 C23' 29.2(2) .
C24 C23 C28 120.0 .
C24 C23 C22 120.3(5) .
C28 C23 C22 119.7(5) .
C23 C24 C25 120.0 .
C26 C25 C24 120.0 .
C25 C26 C27 120.0 .
C25 C26 C29 119.2 .
C27 C26 C29 120.8 .
C28 C27 C26 120.0 .
C27 C28 C23 120.0 .
C30 C29 C26 113.8 .
C28' C23' C24' 120.0 .
C28' C23' C22 126.3(4) .
C24' C23' C22 109.8(4) .
C23' C24' C25' 120.0 .
C26' C25' C24' 120.0 .
C25' C26' C27' 120.0 .
C25' C26' C29' 119.3 .
C27' C26' C29' 120.0 .
C26' C27' C28' 120.0 .
C26' C27' C28' 133.9 2_665
C28' C27' C28' 95.53(9) 2_665
C23' C28' C27' 120.0 .
C23' C28' C27' 142.14(14) 2_665
C27' C28' C27' 84.47(8) 2_665
C30' C29' C26' 121.2 .
N3 C31 C32 121.2 .
C31 C32 C33 118.4 .
C32 C33 C34 122.6 .
C32 C33 Br3 119.62(7) .
C34 C33 Br3 117.81(7) .
C35 C34 C33 115.1 .
N3 C35 C34 123.8 .
N3 C35 C36 113.7 .
C34 C35 C36 122.5 .
N4 C36 C37 122.6 .
N4 C36 C35 115.8 .
C37 C36 C35 121.5 .
C36 C37 C38 117.2 .
C37 C38 C39 121.1 .
C37 C38 Br4 119.14(7) .
C39 C38 Br4 119.75(6) .
C40 C39 C38 117.9 .
N4 C40 C39 121.9 .
C42 C41 Pt2 177.1 .
C41 C42 C43 173.3 .
C48 C43 C44 120.4 .
C48 C43 C42 119.5 .
C44 C43 C42 120.1 .
C45 C44 C43 118.3 .
C44 C45 C46 121.0 .
C47 C46 C45 119.0 .
C47 C46 C49 121.0 .
C45 C46 C49 120.0 .
C46 C47 C48 119.3 .
C43 C48 C47 122.0 .
C50 C49 C46 117.2 .
C52 C51 Pt2 178.3 .
C51 C52 C53 174.6 .
C58 C53 C54 116.8 .
C58 C53 C52 123.4 .
C54 C53 C52 119.6 .
C55 C54 C53 121.0 .
C54 C55 C56 121.5 .
C57 C56 C55 118.7 .
C57 C56 C59 115.9 .
C55 C56 C59 125.2 .
C56 C57 C58 120.6 .
C57 C58 C53 121.5 .
C60 C59 C56 118.9 .
C1 N1 C5 119.2(6) .
C1 N1 Pt1 125.0(4) .
C5 N1 Pt1 115.6(4) .
C10 N2 C6 117.4(6) .
C10 N2 Pt1 126.2(4) .
C6 N2 Pt1 116.4(4) .
C31 N3 C35 118.8 .
C31 N3 Pt2 124.9 .
C35 N3 Pt2 116.3 .
C36 N4 C40 119.2 .
C36 N4 Pt2 114.9 .
C40 N4 Pt2 125.9 .
C21 Pt1 C11 91.9(4) .
C21 Pt1 N2 94.5(3) .
C11 Pt1 N2 173.5(3) .
C21 Pt1 N1 173.3(3) .
C11 Pt1 N1 94.5(3) .
N2 Pt1 N1 79.0 .
C41 Pt2 C51 88.0 .
C41 Pt2 N3 95.3 .
C51 Pt2 N3 176.4 .
C41 Pt2 N4 173.6 .
C51 Pt2 N4 97.6 .
N3 Pt2 N4 79.3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 C3 1.875(10) .
Br2 C8 1.873(9) .
Br3 C33 1.8872(12) .
Br4 C38 1.8814(15) .
C1 N1 1.331(10) .
C1 C2 1.395(14) .
C01 N01 1.100(12) .
C01 C02 1.480(16) .
C2 C3 1.369(15) .
C3 C4 1.385(14) .
C4 C5 1.401(12) .
C5 N1 1.337(10) .
C5 C6 1.494(13) .
C6 C7 1.366(13) .
C6 N2 1.367(9) .
C7 C8 1.365(13) .
C8 C9 1.385(13) .
C9 C10 1.390(14) .
C10 N2 1.351(10) .
C11 C12 1.203(14) .
C11 Pt1 1.962(11) .
C12 C13 1.430(14) .
C13 C18 1.385(13) .
C13 C14 1.405(14) .
C14 C15 1.339(15) .
C15 C16 1.398(14) .
C16 C17 1.385(14) .
C16 C19 1.523(14) .
C17 C18 1.377(14) .
C19 C20 1.503(15) .
C21 C22 1.215(15) .
C21 Pt1 1.960(10) .
C22 C23 1.443(12) .
C22 C23' 1.553(12) .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C26 C29 1.5879 .
C27 C28 1.3900 .
C29 C30 1.4859 .
C23' C28' 1.3898 .
C23' C24' 1.3900 .
C24' C25' 1.3900 .
C25' C26' 1.3899 .
C26' C27' 1.3900 .
C26' C29' 1.5234 .
C27' C28' 1.3902 .
C27' C28' 1.863(5) 2_665
C28' C27' 1.863(4) 2_665
C29' C30' 1.4825 .
C31 N3 1.3630 .
C31 C32 1.3830 .
C32 C33 1.3903 .
C33 C34 1.3976 .
C34 C35 1.3930 .
C35 N3 1.3665 .
C35 C36 1.4797 .
C36 N4 1.3619 .
C36 C37 1.3763 .
C37 C38 1.3976 .
C38 C39 1.4056 .
C39 C40 1.3738 .
C40 N4 1.3620 .
C41 C42 1.2221 .
C41 Pt2 1.9056 .
C42 C43 1.4775 .
C43 C48 1.3814 .
C43 C44 1.3928 .
C44 C45 1.3885 .
C45 C46 1.4370 .
C46 C47 1.3768 .
C46 C49 1.5214 .
C47 C48 1.3833 .
C49 C50 1.4061 .
C51 C52 1.1694 .
C51 Pt2 1.9797 .
C52 C53 1.4412 .
C53 C58 1.3981 .
C53 C54 1.4279 .
C54 C55 1.3684 .
C55 C56 1.3889 .
C56 C57 1.3871 .
C56 C59 1.6165 .
C57 C58 1.3943 .
C59 C60 1.4584 .
N1 Pt1 2.0634 .
N2 Pt1 2.0458 .
N3 Pt2 2.0481 .
N4 Pt2 2.0606 .
