#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/50/1505023.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_1505023
loop_
_publ_author_name
'Guddneppanavar, Rajsekhar'
'Choudhury, Jayati Roy'
'Kheradi, Alexander R.'
'Steen, Bartlett D.'
'Saluta, Gilda'
'Kucera, Gregory L.'
'Day, Cynthia S.'
'Bierbach, Ulrich'
_publ_section_title
;
 Effect of the diamine nonleaving group in platinum-acridinylthiourea
 conjugates on DNA damage and cytotoxicity.
;
_journal_issue                   9
_journal_name_full               'Journal of medicinal chemistry'
_journal_page_first              2259
_journal_page_last               2263
_journal_paper_doi               10.1021/jm0614376
_journal_volume                  50
_journal_year                    2007
_chemical_formula_sum            'C28 H37 Cl N8 O10 Pt S'
_chemical_formula_weight         908.26
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL-PC
_cell_angle_alpha                103.4400(10)
_cell_angle_beta                 98.8380(10)
_cell_angle_gamma                95.4710(10)
_cell_formula_units_Z            6
_cell_length_a                   14.4746(13)
_cell_length_b                   18.7922(16)
_cell_length_c                   19.5430(17)
_cell_measurement_reflns_used    10158
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      29.999
_cell_measurement_theta_min      4.046
_cell_volume                     5061.2(8)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_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  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0682
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            53452
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         3.82
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.367
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2712
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.146
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1351
_refine_ls_number_reflns         28875
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0548P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                19541
_reflns_number_total             28875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jm0614376si20070212_073432.cif
_cod_data_source_block           Compound5_a90i
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1505023
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
Pt1 Pt 0.625348(13) 0.147848(10) 0.241110(10) 0.02617(6) Uani 1 1 d .
Cl1 Cl 0.66965(10) 0.21803(7) 0.16719(7) 0.0376(3) Uani 1 1 d .
S1 S 0.55391(10) 0.05176(8) 0.14607(8) 0.0384(3) Uani 1 1 d .
N1 N 0.5723(3) 0.0855(2) 0.0238(3) 0.0351(10) Uani 1 1 d .
H1N H 0.5983 0.0828 -0.0144 0.042 Uiso 1 1 calc R
N2 N 0.6950(3) 0.0325(2) 0.0700(2) 0.0304(9) Uani 1 1 d .
N3 N 0.8563(3) 0.0953(2) 0.1939(2) 0.0343(10) Uani 1 1 d .
H3N H 0.8594 0.1273 0.1676 0.041 Uiso 1 1 calc R
N4 N 0.9144(3) 0.1990(3) 0.4098(3) 0.0379(11) Uani 1 1 d .
H4N H 0.9315 0.2208 0.4557 0.045 Uiso 1 1 calc R
N5 N 0.5956(3) 0.0937(2) 0.3142(2) 0.0321(10) Uani 1 1 d .
N6 N 0.6771(3) 0.2286(2) 0.3321(2) 0.0285(9) Uani 1 1 d .
C1 C 0.6128(3) 0.0579(3) 0.0750(3) 0.0297(11) Uani 1 1 d .
C2 C 0.7374(4) -0.0110(3) 0.1181(3) 0.0370(13) Uani 1 1 d .
H2A H 0.7337 -0.0628 0.0904 0.044 Uiso 1 1 calc R
H2B H 0.6999 -0.0109 0.1564 0.044 Uiso 1 1 calc R
C3 C 0.8394(4) 0.0182(3) 0.1520(3) 0.0351(12) Uani 1 1 d .
H3A H 0.8621 -0.0132 0.1836 0.042 Uiso 1 1 calc R
H3B H 0.8776 0.0132 0.1137 0.042 Uiso 1 1 calc R
C4 C 0.8679(3) 0.1265(3) 0.2629(3) 0.0299(11) Uani 1 1 d .
C5 C 0.8491(3) 0.0887(3) 0.3173(3) 0.0291(11) Uani 1 1 d .
C6 C 0.8002(4) 0.0150(3) 0.3022(3) 0.0355(12) Uani 1 1 d .
H6 H 0.7792 -0.0123 0.2539 0.043 Uiso 1 1 calc R
C7 C 0.7834(4) -0.0165(3) 0.3562(3) 0.0423(14) Uani 1 1 d .
H7 H 0.7509 -0.0652 0.3447 0.051 Uiso 1 1 calc R
C8 C 0.8127(4) 0.0209(4) 0.4268(4) 0.0473(15) Uani 1 1 d .
H8 H 0.8020 -0.0028 0.4634 0.057 Uiso 1 1 calc R
C9 C 0.8575(4) 0.0924(4) 0.4447(3) 0.0417(14) Uani 1 1 d .
H9 H 0.8773 0.1184 0.4935 0.050 Uiso 1 1 calc R
C10 C 0.8735(3) 0.1269(3) 0.3896(3) 0.0301(11) Uani 1 1 d .
C11 C 0.9295(3) 0.2381(3) 0.3611(3) 0.0337(12) Uani 1 1 d .
C12 C 0.9670(4) 0.3133(3) 0.3858(4) 0.0432(15) Uani 1 1 d .
H12 H 0.9830 0.3356 0.4357 0.052 Uiso 1 1 calc R
C13 C 0.9804(4) 0.3546(3) 0.3374(4) 0.0494(16) Uani 1 1 d .
H13 H 1.0044 0.4056 0.3540 0.059 Uiso 1 1 calc R
C14 C 0.9587(4) 0.3216(3) 0.2643(4) 0.0456(15) Uani 1 1 d .
H14 H 0.9699 0.3500 0.2313 0.055 Uiso 1 1 calc R
C15 C 0.9216(4) 0.2490(3) 0.2395(3) 0.0413(14) Uani 1 1 d .
H15 H 0.9061 0.2277 0.1894 0.050 Uiso 1 1 calc R
C16 C 0.9058(3) 0.2045(3) 0.2875(3) 0.0323(12) Uani 1 1 d .
C17 C 0.4861(4) 0.1205(3) 0.0269(3) 0.0428(14) Uani 1 1 d .
H17A H 0.4981 0.1645 0.0671 0.064 Uiso 1 1 calc R
H17B H 0.4355 0.0856 0.0335 0.064 Uiso 1 1 calc R
H17C H 0.4671 0.1347 -0.0178 0.064 Uiso 1 1 calc R
C18 C 0.7370(4) 0.0343(3) 0.0070(3) 0.0388(13) Uani 1 1 d .
H18A H 0.7539 0.0857 0.0059 0.058 Uiso 1 1 calc R
H18B H 0.6914 0.0086 -0.0362 0.058 Uiso 1 1 calc R
H18C H 0.7937 0.0098 0.0091 0.058 Uiso 1 1 calc R
C19 C 0.5532(4) 0.0238(3) 0.3013(4) 0.0434(14) Uani 1 1 d .
H19 H 0.5335 -0.0040 0.2531 0.052 Uiso 1 1 calc R
C20 C 0.5373(5) -0.0089(4) 0.3544(4) 0.0549(18) Uani 1 1 d .
H20 H 0.5060 -0.0580 0.3433 0.066 Uiso 1 1 calc R
C21 C 0.5672(5) 0.0304(4) 0.4250(4) 0.059(2) Uani 1 1 d .
H21 H 0.5580 0.0079 0.4627 0.070 Uiso 1 1 calc R
C22 C 0.6106(4) 0.1023(4) 0.4402(3) 0.0452(15) Uani 1 1 d .
H22 H 0.6307 0.1304 0.4883 0.054 Uiso 1 1 calc R
C23 C 0.6243(4) 0.1326(3) 0.3843(3) 0.0362(12) Uani 1 1 d .
C24 C 0.6684(3) 0.2088(3) 0.3937(3) 0.0312(11) Uani 1 1 d .
C25 C 0.6992(4) 0.2587(4) 0.4594(3) 0.0438(14) Uani 1 1 d .
H25 H 0.6934 0.2444 0.5022 0.053 Uiso 1 1 calc R
C26 C 0.7384(4) 0.3294(4) 0.4624(3) 0.0491(16) Uani 1 1 d .
H26 H 0.7592 0.3643 0.5073 0.059 Uiso 1 1 calc R
C27 C 0.7471(4) 0.3488(3) 0.4006(3) 0.0426(14) Uani 1 1 d .
H27 H 0.7748 0.3972 0.4021 0.051 Uiso 1 1 calc R
C28 C 0.7154(4) 0.2976(3) 0.3355(3) 0.0352(12) Uani 1 1 d .
H28 H 0.7208 0.3116 0.2925 0.042 Uiso 1 1 calc R
Pt2 Pt 0.610215(12) 0.479722(10) 0.903178(10) 0.02256(5) Uani 1 1 d .
Cl2 Cl 0.65657(10) 0.55321(7) 0.83265(7) 0.0356(3) Uani 1 1 d .
S1A S 0.54106(9) 0.38638(7) 0.80535(7) 0.0320(3) Uani 1 1 d .
N1A N 0.5626(3) 0.4245(2) 0.6857(2) 0.0318(10) Uani 1 1 d .
H1NA H 0.5897 0.4225 0.6481 0.038 Uiso 1 1 calc R
N2A N 0.6864(3) 0.3716(2) 0.7328(2) 0.0294(9) Uani 1 1 d .
N3A N 0.8440(3) 0.4385(2) 0.8635(2) 0.0318(10) Uani 1 1 d .
H3NA H 0.8445 0.4727 0.8394 0.038 Uiso 1 1 calc R
N4A N 0.8988(3) 0.5280(2) 1.0820(2) 0.0340(10) Uani 1 1 d .
H4NA H 0.9149 0.5470 1.1285 0.041 Uiso 1 1 calc R
N5A N 0.5784(3) 0.4221(2) 0.9730(2) 0.0261(9) Uani 1 1 d .
N6A N 0.6594(3) 0.5583(2) 0.9961(2) 0.0250(8) Uani 1 1 d .
C1A C 0.6028(3) 0.3964(3) 0.7368(3) 0.0274(10) Uani 1 1 d .
C2A C 0.7300(4) 0.3301(3) 0.7821(3) 0.0311(11) Uani 1 1 d .
H2AA H 0.7295 0.2785 0.7550 0.037 Uiso 1 1 calc R
H2AB H 0.6912 0.3290 0.8195 0.037 Uiso 1 1 calc R
C3A C 0.8303(4) 0.3623(3) 0.8180(3) 0.0337(12) Uani 1 1 d .
H3AA H 0.8548 0.3298 0.8478 0.040 Uiso 1 1 calc R
H3AB H 0.8692 0.3610 0.7804 0.040 Uiso 1 1 calc R
C4A C 0.8556(3) 0.4649(3) 0.9334(3) 0.0264(10) Uani 1 1 d .
C5A C 0.8361(3) 0.4222(3) 0.9844(3) 0.0301(11) Uani 1 1 d .
C6A C 0.7899(4) 0.3478(3) 0.9651(3) 0.0353(12) Uani 1 1 d .
H6A H 0.7697 0.3236 0.9159 0.042 Uiso 1 1 calc R
C7A C 0.7742(4) 0.3106(3) 1.0151(3) 0.0401(13) Uani 1 1 d .
H7A H 0.7447 0.2607 1.0005 0.048 Uiso 1 1 calc R
C8A C 0.8013(4) 0.3452(3) 1.0879(3) 0.0429(14) Uani 1 1 d .
H8A H 0.7904 0.3190 1.1226 0.052 Uiso 1 1 calc R
C9A C 0.8438(4) 0.4172(3) 1.1093(3) 0.0390(13) Uani 1 1 d .
H9A H 0.8623 0.4408 1.1588 0.047 Uiso 1 1 calc R
C10A C 0.8598(3) 0.4560(3) 1.0581(3) 0.0287(11) Uani 1 1 d .
C11A C 0.9141(3) 0.5718(3) 1.0376(3) 0.0286(11) Uani 1 1 d .
C12A C 0.9525(4) 0.6467(3) 1.0669(3) 0.0390(13) Uani 1 1 d .
H12A H 0.9661 0.6659 1.1174 0.047 Uiso 1 1 calc R
C13A C 0.9700(4) 0.6908(3) 1.0242(4) 0.0429(14) Uani 1 1 d .
H13A H 0.9963 0.7410 1.0446 0.051 Uiso 1 1 calc R
C14A C 0.9497(4) 0.6632(3) 0.9495(4) 0.0403(14) Uani 1 1 d .
H14A H 0.9627 0.6947 0.9196 0.048 Uiso 1 1 calc R
C15A C 0.9111(4) 0.5907(3) 0.9193(3) 0.0375(13) Uani 1 1 d .
H15A H 0.8964 0.5730 0.8687 0.045 Uiso 1 1 calc R
C16A C 0.8932(3) 0.5425(3) 0.9628(3) 0.0294(11) Uani 1 1 d .
C17A C 0.4770(4) 0.4582(3) 0.6873(3) 0.0396(13) Uani 1 1 d .
H17D H 0.4284 0.4253 0.6990 0.059 Uiso 1 1 calc R
H17E H 0.4547 0.4669 0.6404 0.059 Uiso 1 1 calc R
H17F H 0.4897 0.5054 0.7237 0.059 Uiso 1 1 calc R
C18A C 0.7300(4) 0.3747(3) 0.6709(3) 0.0406(13) Uani 1 1 d .
H18D H 0.7441 0.4263 0.6694 0.061 Uiso 1 1 calc R
H18E H 0.6867 0.3474 0.6271 0.061 Uiso 1 1 calc R
H18F H 0.7887 0.3526 0.6747 0.061 Uiso 1 1 calc R
C19A C 0.5361(4) 0.3514(3) 0.9563(3) 0.0355(12) Uani 1 1 d .
H19A H 0.5170 0.3256 0.9075 0.043 Uiso 1 1 calc R
C20A C 0.5198(4) 0.3155(3) 1.0092(3) 0.0423(14) Uani 1 1 d .
H20A H 0.4892 0.2660 0.9964 0.051 Uiso 1 1 calc R
C21A C 0.5483(4) 0.3522(3) 1.0795(3) 0.0441(14) Uani 1 1 d .
H21A H 0.5394 0.3278 1.1159 0.053 Uiso 1 1 calc R
C22A C 0.5901(4) 0.4246(3) 1.0975(3) 0.0398(13) Uani 1 1 d .
H22A H 0.6085 0.4511 1.1462 0.048 Uiso 1 1 calc R
C23A C 0.6050(3) 0.4587(3) 1.0426(3) 0.0273(10) Uani 1 1 d .
C24A C 0.6493(3) 0.5361(3) 1.0562(3) 0.0267(10) Uani 1 1 d .
C25A C 0.6767(4) 0.5843(3) 1.1227(3) 0.0395(13) Uani 1 1 d .
H25A H 0.6693 0.5683 1.1645 0.047 Uiso 1 1 calc R
C26A C 0.7155(4) 0.6568(4) 1.1286(3) 0.0462(15) Uani 1 1 d .
H26A H 0.7345 0.6905 1.1742 0.055 Uiso 1 1 calc R
C27A C 0.7258(4) 0.6786(3) 1.0683(3) 0.0375(13) Uani 1 1 d .
H27A H 0.7528 0.7277 1.0716 0.045 Uiso 1 1 calc R
C28A C 0.6962(3) 0.6283(3) 1.0012(3) 0.0306(11) Uani 1 1 d .
H28A H 0.7022 0.6437 0.9589 0.037 Uiso 1 1 calc R
Pt3 Pt 0.404321(13) 0.186672(10) 0.436744(10) 0.02420(5) Uani 1 1 d .
Cl3 Cl 0.35289(10) 0.11256(7) 0.50557(7) 0.0353(3) Uani 1 1 d .
S1B S 0.47595(10) 0.27770(8) 0.53551(7) 0.0362(3) Uani 1 1 d .
N1B N 0.4526(4) 0.2389(3) 0.6543(3) 0.0383(11) Uani 1 1 d .
H1NB H 0.423(3) 0.229(3) 0.684(3) 0.023(14) Uiso 1 1 d .
N2B N 0.3305(3) 0.2924(2) 0.6068(2) 0.0362(10) Uani 1 1 d .
N3B N 0.1746(4) 0.2284(3) 0.4741(3) 0.0504(13) Uani 1 1 d .
H3NB H 0.1763 0.1940 0.4979 0.060 Uiso 1 1 calc R
N4B N 0.1190(3) 0.1360(2) 0.2531(3) 0.0363(10) Uani 1 1 d .
H4NB H 0.1050 0.1155 0.2068 0.044 Uiso 1 1 calc R
N5B N 0.4392(3) 0.2452(2) 0.3682(2) 0.0284(9) Uani 1 1 d .
N6B N 0.3567(3) 0.1096(2) 0.3429(2) 0.0278(9) Uani 1 1 d .
C1B C 0.4128(4) 0.2683(3) 0.6039(3) 0.0345(12) Uani 1 1 d .
C2B C 0.2862(4) 0.3327(3) 0.5573(3) 0.0404(13) Uani 1 1 d .
H2BA H 0.3267 0.3351 0.5212 0.048 Uiso 1 1 calc R
H2BB H 0.2856 0.3840 0.5847 0.048 Uiso 1 1 calc R
C3B C 0.1871(4) 0.3020(4) 0.5182(4) 0.0537(17) Uani 1 1 d .
H3BA H 0.1454 0.3036 0.5540 0.064 Uiso 1 1 calc R
H3BB H 0.1659 0.3349 0.4878 0.064 Uiso 1 1 calc R
C4B C 0.1605(4) 0.2019(3) 0.4014(3) 0.0423(14) Uani 1 1 d .
C5B C 0.1798(4) 0.2432(3) 0.3515(4) 0.0455(16) Uani 1 1 d .
C6B C 0.2268(4) 0.3167(3) 0.3702(4) 0.0522(17) Uani 1 1 d .
H6B H 0.2490 0.3413 0.4191 0.063 Uiso 1 1 calc R
C7B C 0.2400(5) 0.3511(4) 0.3197(4) 0.0551(17) Uani 1 1 d .
H7B H 0.2688 0.4011 0.3348 0.066 Uiso 1 1 calc R
C8B C 0.2150(4) 0.3200(4) 0.2469(5) 0.061(2) Uani 1 1 d .
H8B H 0.2264 0.3476 0.2133 0.074 Uiso 1 1 calc R
C9B C 0.1719(4) 0.2452(4) 0.2242(4) 0.0523(17) Uani 1 1 d .
H9B H 0.1539 0.2209 0.1748 0.063 Uiso 1 1 calc R
C10B C 0.1568(4) 0.2089(3) 0.2767(3) 0.0401(14) Uani 1 1 d .
C11B C 0.1029(3) 0.0949(3) 0.2996(3) 0.0348(12) Uani 1 1 d .
C12B C 0.0657(4) 0.0195(3) 0.2716(3) 0.0382(13) Uani 1 1 d .
H12B H 0.0534 -0.0013 0.2214 0.046 Uiso 1 1 calc R
C13B C 0.0477(4) -0.0235(4) 0.3168(4) 0.0496(16) Uani 1 1 d .
H13B H 0.0232 -0.0742 0.2976 0.060 Uiso 1 1 calc R
C14B C 0.0645(4) 0.0058(4) 0.3909(4) 0.0569(18) Uani 1 1 d .
H14B H 0.0509 -0.0247 0.4216 0.068 Uiso 1 1 calc R
C15B C 0.1000(4) 0.0771(4) 0.4185(3) 0.0472(15) Uani 1 1 d .
H15B H 0.1109 0.0964 0.4690 0.057 Uiso 1 1 calc R
C16B C 0.1219(4) 0.1250(3) 0.3739(3) 0.0394(13) Uani 1 1 d .
C17B C 0.5395(4) 0.2053(3) 0.6526(3) 0.0417(13) Uani 1 1 d .
H17G H 0.5559 0.1887 0.6964 0.063 Uiso 1 1 calc R
H17H H 0.5907 0.2417 0.6494 0.063 Uiso 1 1 calc R
H17I H 0.5300 0.1629 0.6109 0.063 Uiso 1 1 calc R
C18B C 0.2844(4) 0.2871(4) 0.6675(3) 0.0473(15) Uani 1 1 d .
H18G H 0.2708 0.2352 0.6679 0.071 Uiso 1 1 calc R
H18H H 0.2253 0.3085 0.6630 0.071 Uiso 1 1 calc R
H18I H 0.3262 0.3142 0.7122 0.071 Uiso 1 1 calc R
C19B C 0.4821(4) 0.3160(3) 0.3861(3) 0.0355(12) Uani 1 1 d .
H19B H 0.5003 0.3410 0.4353 0.043 Uiso 1 1 calc R
C20B C 0.5000(4) 0.3524(3) 0.3357(4) 0.0488(16) Uani 1 1 d .
H20B H 0.5310 0.4018 0.3498 0.059 Uiso 1 1 calc R
C21B C 0.4727(5) 0.3169(4) 0.2636(4) 0.0538(17) Uani 1 1 d .
H21B H 0.4832 0.3418 0.2279 0.065 Uiso 1 1 calc R
C22B C 0.4299(4) 0.2446(4) 0.2451(3) 0.0462(15) Uani 1 1 d .
H22B H 0.4111 0.2190 0.1961 0.055 Uiso 1 1 calc R
C23B C 0.4142(3) 0.2093(3) 0.2982(3) 0.0317(11) Uani 1 1 d .
C24B C 0.3703(3) 0.1325(3) 0.2836(3) 0.0306(11) Uani 1 1 d .
C25B C 0.3444(4) 0.0853(3) 0.2163(3) 0.0445(15) Uani 1 1 d .
H25B H 0.3523 0.1019 0.1749 0.053 Uiso 1 1 calc R
C26B C 0.3062(4) 0.0122(4) 0.2101(3) 0.0482(16) Uani 1 1 d .
H26B H 0.2894 -0.0218 0.1644 0.058 Uiso 1 1 calc R
C27B C 0.2936(4) -0.0095(3) 0.2697(3) 0.0434(14) Uani 1 1 d .
H27B H 0.2672 -0.0588 0.2658 0.052 Uiso 1 1 calc R
C28B C 0.3189(3) 0.0397(3) 0.3360(3) 0.0328(11) Uani 1 1 d .
H28B H 0.3094 0.0238 0.3775 0.039 Uiso 1 1 calc R
N1C N 0.4002(4) -0.1575(3) 0.1320(3) 0.0509(14) Uani 1 1 d D
O1C O 0.3441(3) -0.1355(3) 0.0864(2) 0.0630(13) Uani 1 1 d D
O2C O 0.4854(4) -0.1507(4) 0.1297(3) 0.101(2) Uani 1 1 d D
O3C O 0.3682(4) -0.1842(4) 0.1756(3) 0.101(2) Uani 1 1 d D
N1D N 0.7215(3) 0.7977(3) 0.9328(3) 0.0414(12) Uani 1 1 d D
O1D O 0.7959(3) 0.7740(3) 0.9523(3) 0.0675(14) Uani 1 1 d D
O2D O 0.6458(3) 0.7594(3) 0.9215(3) 0.0603(13) Uani 1 1 d D
O3D O 0.7269(3) 0.8615(2) 0.9223(3) 0.0547(12) Uani 1 1 d D
N1E N 0.8457(4) -0.1676(3) 0.2098(3) 0.0460(13) Uani 1 1 d D
O1E O 0.7749(3) -0.1495(3) 0.1786(3) 0.0648(13) Uani 1 1 d D
O2E O 0.8411(4) -0.1906(3) 0.2639(3) 0.0837(17) Uani 1 1 d D
O3E O 0.9203(4) -0.1654(3) 0.1870(3) 0.0820(17) Uani 1 1 d D
N1F N 0.2429(4) 0.5136(3) 0.7138(3) 0.0531(14) Uani 1 1 d D
O1F O 0.3165(4) 0.5573(3) 0.7271(4) 0.0848(18) Uani 1 1 d D
O2F O 0.2397(4) 0.4557(3) 0.7312(3) 0.0789(17) Uani 1 1 d D
O3F O 0.1691(4) 0.5307(4) 0.6872(5) 0.146(4) Uani 1 1 d D
N1G N 0.7782(4) 0.1654(3) 0.6364(3) 0.0532(14) Uani 1 1 d D
O1G O 0.8323(4) 0.1765(3) 0.6961(3) 0.0838(17) Uani 1 1 d D
O2G O 0.7909(4) 0.2070(3) 0.5981(3) 0.0864(18) Uani 1 1 d D
O3G O 0.7117(4) 0.1152(3) 0.6173(4) 0.096(2) Uani 1 1 d D
N1H N 0.8471(6) 0.5092(6) 0.5430(5) 0.049(3) Uiso 0.50 1 d PD
O1H O 0.8584(5) 0.4780(4) 0.5995(4) 0.0347(16) Uiso 0.50 1 d PD
O2H O 0.7887(5) 0.5305(4) 0.5055(4) 0.0327(16) Uiso 0.50 1 d PD
O3H O 0.9250(6) 0.5141(5) 0.5215(5) 0.067(3) Uiso 0.50 1 d PD
N1I N 0.5883(7) 0.4853(6) 0.5285(6) 0.051(3) Uiso 0.50 1 d PD
O1I O 0.6324(4) 0.4692(4) 0.5715(3) 0.0238(13) Uiso 0.50 1 d PD
O2I O 0.6143(9) 0.5119(7) 0.4801(7) 0.104(4) Uiso 0.50 1 d PD
O3I O 0.5034(8) 0.4774(7) 0.5277(6) 0.094(4) Uiso 0.50 1 d PD
O1W O 0.0418(5) 0.4207(4) 0.5884(3) 0.110(2) Uani 1 1 d .
O2W O 0.9046(3) 0.0826(2) -0.0740(2) 0.0591(12) Uani 1 1 d .
H2W1 H 0.987(5) 0.095(4) -0.073(4) 0.071 Uiso 1 1 d .
O3W O -0.0032(4) 0.2690(3) 0.7225(4) 0.113(2) Uani 1 1 d .
O4W O -0.0552(3) 0.1416(3) 0.0816(2) 0.0571(12) Uani 1 1 d .
O5W O 0.1672(4) -0.1738(3) 0.1538(3) 0.0681(14) Uani 1 1 d D
H5W1 H 0.225(2) -0.165(4) 0.149(4) 0.082 Uiso 1 1 d D
O6W O 0.1081(3) 0.0694(2) 0.1055(2) 0.0504(11) Uani 1 1 d .
O7W O 0.0693(4) 0.4144(3) 0.7677(3) 0.0588(13) Uani 1 1 d D
H7W1 H 0.045(5) 0.3704(17) 0.748(4) 0.071 Uiso 1 1 d D
O8W O 0.9092(3) 0.8810(3) 1.0613(3) 0.0623(13) Uani 1 1 d D
H8W1 H 0.869(4) 0.848(3) 1.027(3) 0.075 Uiso 1 1 d D
O9W O 0.9600(4) 0.2722(4) 0.5571(3) 0.0861(19) Uani 1 1 d D
H9W1 H 0.926(5) 0.262(5) 0.586(4) 0.103 Uiso 1 1 d D
O10W O 0.6081(4) -0.1871(4) 0.2341(3) 0.0922(19) Uani 1 1 d D
H10W H 0.612(6) -0.173(5) 0.195(3) 0.111 Uiso 1 1 d D
O11W O 0.0819(4) 0.1670(3) 0.5826(3) 0.0780(16) Uani 1 1 d .
O12W O -0.0784(3) 0.5018(3) 0.7534(3) 0.0565(12) Uani 1 1 d D
H12W H -0.028(3) 0.484(4) 0.750(4) 0.068 Uiso 1 1 d 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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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
N5 Pt1 N6 80.42(18) . .
N5 Pt1 Cl1 174.12(14) . .
N6 Pt1 Cl1 93.95(13) . .
N5 Pt1 S1 93.49(14) . .
N6 Pt1 S1 172.98(12) . .
Cl1 Pt1 S1 92.23(5) . .
C1 S1 Pt1 106.37(16) . .
C1 N1 C17 123.6(5) . .
C1 N1 H1N 118.2 . .
C17 N1 H1N 118.2 . .
C1 N2 C18 119.2(4) . .
C1 N2 C2 122.8(4) . .
C18 N2 C2 116.8(4) . .
C4 N3 C3 133.1(5) . .
C4 N3 H3N 113.4 . .
C3 N3 H3N 113.4 . .
C11 N4 C10 122.0(5) . .
C11 N4 H4N 119.0 . .
C10 N4 H4N 119.0 . .
C19 N5 C23 117.7(5) . .
C19 N5 Pt1 126.9(4) . .
C23 N5 Pt1 115.4(4) . .
C28 N6 C24 119.3(5) . .
C28 N6 Pt1 126.0(4) . .
C24 N6 Pt1 114.6(3) . .
N1 C1 N2 119.3(5) . .
N1 C1 S1 118.8(4) . .
N2 C1 S1 121.9(4) . .
N2 C2 C3 113.4(4) . .
N2 C2 H2A 108.9 . .
C3 C2 H2A 108.9 . .
N2 C2 H2B 108.9 . .
C3 C2 H2B 108.9 . .
H2A C2 H2B 107.7 . .
N3 C3 C2 115.2(4) . .
N3 C3 H3A 108.5 . .
C2 C3 H3A 108.5 . .
N3 C3 H3B 108.5 . .
C2 C3 H3B 108.5 . .
H3A C3 H3B 107.5 . .
N3 C4 C5 125.3(5) . .
N3 C4 C16 117.8(5) . .
C5 C4 C16 116.8(5) . .
C10 C5 C6 116.3(5) . .
C10 C5 C4 119.3(5) . .
C6 C5 C4 124.2(5) . .
C7 C6 C5 121.0(5) . .
C7 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
C6 C7 C8 121.5(6) . .
C6 C7 H7 119.3 . .
C8 C7 H7 119.3 . .
C7 C8 C9 120.2(6) . .
C7 C8 H8 119.9 . .
C9 C8 H8 119.9 . .
C8 C9 C10 119.3(6) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
N4 C10 C5 121.2(5) . .
N4 C10 C9 117.3(5) . .
C5 C10 C9 121.5(5) . .
N4 C11 C16 120.5(5) . .
N4 C11 C12 118.8(5) . .
C16 C11 C12 120.7(6) . .
C13 C12 C11 119.8(6) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C12 C13 C14 120.1(6) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 120.8(6) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 121.1(6) . .
C14 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C11 C16 C15 117.5(5) . .
C11 C16 C4 120.0(5) . .
C15 C16 C4 122.5(5) . .
N1 C17 H17A 109.5 . .
N1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 H18A 109.5 . .
N2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N5 C19 C20 122.8(7) . .
N5 C19 H19 118.6 . .
C20 C19 H19 118.6 . .
C19 C20 C21 119.2(6) . .
C19 C20 H20 120.4 . .
C21 C20 H20 120.4 . .
C22 C21 C20 119.5(6) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C23 C22 C21 118.7(6) . .
C23 C22 H22 120.7 . .
C21 C22 H22 120.7 . .
N5 C23 C22 122.1(6) . .
N5 C23 C24 114.3(5) . .
C22 C23 C24 123.7(6) . .
N6 C24 C25 120.7(5) . .
N6 C24 C23 115.2(5) . .
C25 C24 C23 124.1(5) . .
C26 C25 C24 119.6(6) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C27 C26 C25 119.4(6) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
C26 C27 C28 119.7(6) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
N6 C28 C27 121.3(5) . .
N6 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
N5A Pt2 N6A 80.72(17) . .
N5A Pt2 Cl2 174.39(12) . .
N6A Pt2 Cl2 93.96(12) . .
N5A Pt2 S1A 93.49(12) . .
N6A Pt2 S1A 173.09(12) . .
Cl2 Pt2 S1A 91.94(5) . .
C1A S1A Pt2 105.85(16) . .
C1A N1A C17A 124.4(5) . .
C1A N1A H1NA 117.8 . .
C17A N1A H1NA 117.8 . .
C1A N2A C18A 119.1(4) . .
C1A N2A C2A 123.3(4) . .
C18A N2A C2A 116.9(4) . .
C4A N3A C3A 132.0(4) . .
C4A N3A H3NA 114.0 . .
C3A N3A H3NA 114.0 . .
C11A N4A C10A 123.0(5) . .
C11A N4A H4NA 118.5 . .
C10A N4A H4NA 118.5 . .
C23A N5A C19A 119.0(5) . .
C23A N5A Pt2 114.9(3) . .
C19A N5A Pt2 126.1(4) . .
C28A N6A C24A 120.1(4) . .
C28A N6A Pt2 125.4(3) . .
C24A N6A Pt2 114.5(3) . .
N1A C1A N2A 119.8(5) . .
N1A C1A S1A 118.6(4) . .
N2A C1A S1A 121.4(4) . .
N2A C2A C3A 113.7(4) . .
N2A C2A H2AA 108.8 . .
C3A C2A H2AA 108.8 . .
N2A C2A H2AB 108.8 . .
C3A C2A H2AB 108.8 . .
H2AA C2A H2AB 107.7 . .
N3A C3A C2A 116.3(4) . .
N3A C3A H3AA 108.2 . .
C2A C3A H3AA 108.2 . .
N3A C3A H3AB 108.2 . .
C2A C3A H3AB 108.2 . .
H3AA C3A H3AB 107.4 . .
N3A C4A C16A 117.7(5) . .
N3A C4A C5A 125.4(5) . .
C16A C4A C5A 116.9(5) . .
C10A C5A C6A 116.1(5) . .
C10A C5A C4A 119.2(5) . .
C6A C5A C4A 124.6(5) . .
C7A C6A C5A 121.9(5) . .
C7A C6A H6A 119.0 . .
C5A C6A H6A 119.0 . .
C6A C7A C8A 120.3(5) . .
C6A C7A H7A 119.8 . .
C8A C7A H7A 119.8 . .
C9A C8A C7A 120.0(5) . .
C9A C8A H8A 120.0 . .
C7A C8A H8A 120.0 . .
C8A C9A C10A 120.0(6) . .
C8A C9A H9A 120.0 . .
C10A C9A H9A 120.0 . .
N4A C10A C9A 117.7(5) . .
N4A C10A C5A 120.8(5) . .
C9A C10A C5A 121.5(5) . .
N4A C11A C16A 120.2(5) . .
N4A C11A C12A 119.4(5) . .
C16A C11A C12A 120.4(5) . .
C13A C12A C11A 120.6(6) . .
C13A C12A H12A 119.7 . .
C11A C12A H12A 119.7 . .
C12A C13A C14A 120.3(5) . .
C12A C13A H13A 119.9 . .
C14A C13A H13A 119.9 . .
C15A C14A C13A 120.5(6) . .
C15A C14A H14A 119.8 . .
C13A C14A H14A 119.8 . .
C14A C15A C16A 120.6(6) . .
C14A C15A H15A 119.7 . .
C16A C15A H15A 119.7 . .
C15A C16A C11A 117.6(5) . .
C15A C16A C4A 122.6(5) . .
C11A C16A C4A 119.7(5) . .
N1A C17A H17D 109.5 . .
N1A C17A H17E 109.5 . .
H17D C17A H17E 109.5 . .
N1A C17A H17F 109.5 . .
H17D C17A H17F 109.5 . .
H17E C17A H17F 109.5 . .
N2A C18A H18D 109.5 . .
N2A C18A H18E 109.5 . .
H18D C18A H18E 109.5 . .
N2A C18A H18F 109.5 . .
H18D C18A H18F 109.5 . .
H18E C18A H18F 109.5 . .
N5A C19A C20A 121.6(5) . .
N5A C19A H19A 119.2 . .
C20A C19A H19A 119.2 . .
C21A C20A C19A 119.3(6) . .
C21A C20A H20A 120.3 . .
C19A C20A H20A 120.3 . .
C20A C21A C22A 119.8(5) . .
C20A C21A H21A 120.1 . .
C22A C21A H21A 120.1 . .
C21A C22A C23A 119.0(6) . .
C21A C22A H22A 120.5 . .
C23A C22A H22A 120.5 . .
N5A C23A C22A 121.2(5) . .
N5A C23A C24A 115.6(4) . .
C22A C23A C24A 123.1(5) . .
N6A C24A C25A 120.7(5) . .
N6A C24A C23A 114.2(4) . .
C25A C24A C23A 125.1(5) . .
C24A C25A C26A 119.7(5) . .
C24A C25A H25A 120.1 . .
C26A C25A H25A 120.1 . .
C27A C26A C25A 119.4(5) . .
C27A C26A H26A 120.3 . .
C25A C26A H26A 120.3 . .
C26A C27A C28A 119.6(5) . .
C26A C27A H27A 120.2 . .
C28A C27A H27A 120.2 . .
N6A C28A C27A 120.6(5) . .
N6A C28A H28A 119.7 . .
C27A C28A H28A 119.7 . .
N5B Pt3 N6B 80.47(17) . .
N5B Pt3 S1B 93.35(13) . .
N6B Pt3 S1B 171.89(12) . .
N5B Pt3 Cl3 174.13(12) . .
N6B Pt3 Cl3 94.17(12) . .
S1B Pt3 Cl3 92.20(5) . .
C1B S1B Pt3 105.86(17) . .
C1B N1B C17B 124.4(5) . .
C1B N1B H1NB 120(4) . .
C17B N1B H1NB 114(4) . .
C1B N2B C18B 118.9(5) . .
C1B N2B C2B 124.0(5) . .
C18B N2B C2B 116.6(5) . .
C4B N3B C3B 131.4(6) . .
C4B N3B H3NB 114.3 . .
C3B N3B H3NB 114.3 . .
C11B N4B C10B 121.2(5) . .
C11B N4B H4NB 119.4 . .
C10B N4B H4NB 119.4 . .
C23B N5B C19B 118.9(5) . .
C23B N5B Pt3 115.0(3) . .
C19B N5B Pt3 126.0(4) . .
C28B N6B C24B 119.7(4) . .
C28B N6B Pt3 125.7(4) . .
C24B N6B Pt3 114.5(3) . .
N2B C1B N1B 120.6(5) . .
N2B C1B S1B 121.7(4) . .
N1B C1B S1B 117.7(4) . .
N2B C2B C3B 117.0(5) . .
N2B C2B H2BA 108.1 . .
C3B C2B H2BA 108.1 . .
N2B C2B H2BB 108.1 . .
C3B C2B H2BB 108.1 . .
H2BA C2B H2BB 107.3 . .
N3B C3B C2B 116.1(5) . .
N3B C3B H3BA 108.3 . .
C2B C3B H3BA 108.3 . .
N3B C3B H3BB 108.3 . .
C2B C3B H3BB 108.3 . .
H3BA C3B H3BB 107.4 . .
N3B C4B C5B 126.0(6) . .
N3B C4B C16B 116.0(6) . .
C5B C4B C16B 118.0(6) . .
C6B C5B C4B 124.7(6) . .
C6B C5B C10B 115.5(6) . .
C4B C5B C10B 119.7(5) . .
C7B C6B C5B 120.3(7) . .
C7B C6B H6B 119.9 . .
C5B C6B H6B 119.9 . .
C6B C7B C8B 125.2(7) . .
C6B C7B H7B 117.4 . .
C8B C7B H7B 117.4 . .
C7B C8B C9B 117.6(7) . .
C7B C8B H8B 121.2 . .
C9B C8B H8B 121.2 . .
C10B C9B C8B 117.7(7) . .
C10B C9B H9B 121.1 . .
C8B C9B H9B 121.1 . .
N4B C10B C9B 116.2(6) . .
N4B C10B C5B 120.2(6) . .
C9B C10B C5B 123.6(6) . .
N4B C11B C16B 122.0(5) . .
N4B C11B C12B 118.3(5) . .
C16B C11B C12B 119.7(6) . .
C13B C12B C11B 120.0(6) . .
C13B C12B H12B 120.0 . .
C11B C12B H12B 120.0 . .
C12B C13B C14B 121.1(6) . .
C12B C13B H13B 119.5 . .
C14B C13B H13B 119.5 . .
C15B C14B C13B 119.9(7) . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 121.7(6) . .
C14B C15B H15B 119.1 . .
C16B C15B H15B 119.1 . .
C11B C16B C15B 117.6(5) . .
C11B C16B C4B 118.8(6) . .
C15B C16B C4B 123.6(6) . .
N1B C17B H17G 109.5 . .
N1B C17B H17H 109.5 . .
H17G C17B H17H 109.5 . .
N1B C17B H17I 109.5 . .
H17G C17B H17I 109.5 . .
H17H C17B H17I 109.5 . .
N2B C18B H18G 109.5 . .
N2B C18B H18H 109.5 . .
H18G C18B H18H 109.5 . .
N2B C18B H18I 109.5 . .
H18G C18B H18I 109.5 . .
H18H C18B H18I 109.5 . .
N5B C19B C20B 122.1(6) . .
N5B C19B H19B 119.0 . .
C20B C19B H19B 119.0 . .
C19B C20B C21B 119.6(6) . .
C19B C20B H20B 120.2 . .
C21B C20B H20B 120.2 . .
C22B C21B C20B 118.6(6) . .
C22B C21B H21B 120.7 . .
C20B C21B H21B 120.7 . .
C21B C22B C23B 119.8(6) . .
C21B C22B H22B 120.1 . .
C23B C22B H22B 120.1 . .
N5B C23B C22B 121.0(5) . .
N5B C23B C24B 115.3(5) . .
C22B C23B C24B 123.7(5) . .
N6B C24B C25B 121.0(5) . .
N6B C24B C23B 114.6(5) . .
C25B C24B C23B 124.4(5) . .
C24B C25B C26B 118.6(6) . .
C24B C25B H25B 120.7 . .
C26B C25B H25B 120.7 . .
C27B C26B C25B 119.4(6) . .
C27B C26B H26B 120.3 . .
C25B C26B H26B 120.3 . .
C26B C27B C28B 120.3(6) . .
C26B C27B H27B 119.8 . .
C28B C27B H27B 119.8 . .
N6B C28B C27B 120.9(5) . .
N6B C28B H28B 119.5 . .
C27B C28B H28B 119.5 . .
O3C N1C O2C 122.5(6) . .
O3C N1C O1C 119.0(6) . .
O2C N1C O1C 118.5(6) . .
O2D N1D O1D 120.8(5) . .
O2D N1D O3D 120.8(5) . .
O1D N1D O3D 118.4(5) . .
O1E N1E O3E 121.1(6) . .
O1E N1E O2E 119.3(6) . .
O3E N1E O2E 119.6(6) . .
O2F N1F O3F 117.9(6) . .
O2F N1F O1F 122.0(6) . .
O3F N1F O1F 119.9(6) . .
O2G N1G O3G 119.7(6) . .
O2G N1G O1G 119.0(6) . .
O3G N1G O1G 121.2(7) . .
O2H N1H O3H 110.1(9) . .
O2H N1H O1H 141.8(9) . .
O3H N1H O1H 108.1(8) . .
O1I N1I O3I 116.3(11) . .
O1I N1I O2I 127.9(11) . .
O3I N1I O2I 115.8(11) . .
N1I O2I O3I 76.7(8) . 2_666
N1I O3I O3I 86.0(10) . 2_666
N1I O3I O2I 164.8(11) . 2_666
O3I O3I O2I 80.4(9) 2_666 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N5 2.010(4) .
Pt1 N6 2.036(4) .
Pt1 Cl1 2.2905(13) .
Pt1 S1 2.2966(14) .
S1 C1 1.757(5) .
N1 C1 1.318(7) .
N1 C17 1.468(6) .
N1 H1N 0.8800 .
N2 C1 1.331(6) .
N2 C18 1.460(6) .
N2 C2 1.485(7) .
N3 C4 1.317(6) .
N3 C3 1.467(6) .
N3 H3N 0.8800 .
N4 C11 1.362(7) .
N4 C10 1.367(7) .
N4 H4N 0.8800 .
N5 C19 1.347(7) .
N5 C23 1.374(7) .
N6 C28 1.344(6) .
N6 C24 1.359(6) .
C2 C3 1.515(7) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.452(7) .
C4 C16 1.456(7) .
C5 C10 1.401(7) .
C5 C6 1.438(7) .
C6 C7 1.364(8) .
C6 H6 0.9500 .
C7 C8 1.375(9) .
C7 H7 0.9500 .
C8 C9 1.378(8) .
C8 H8 0.9500 .
C9 C10 1.416(7) .
C9 H9 0.9500 .
C11 C16 1.403(7) .
C11 C12 1.408(7) .
C12 C13 1.379(9) .
C12 H12 0.9500 .
C13 C14 1.392(9) .
C13 H13 0.9500 .
C14 C15 1.363(8) .
C14 H14 0.9500 .
C15 C16 1.424(8) .
C15 H15 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.360(8) .
C19 H19 0.9500 .
C20 C21 1.385(10) .
C20 H20 0.9500 .
C21 C22 1.380(9) .
C21 H21 0.9500 .
C22 C23 1.375(7) .
C22 H22 0.9500 .
C23 C24 1.469(7) .
C24 C25 1.382(8) .
C25 C26 1.378(8) .
C25 H25 0.9500 .
C26 C27 1.359(8) .
C26 H26 0.9500 .
C27 C28 1.387(7) .
C27 H27 0.9500 .
C28 H28 0.9500 .
Pt2 N5A 2.009(4) .
Pt2 N6A 2.036(4) .
Pt2 Cl2 2.2912(13) .
Pt2 S1A 2.2917(13) .
S1A C1A 1.756(5) .
N1A C1A 1.318(6) .
N1A C17A 1.447(6) .
N1A H1NA 0.8800 .
N2A C1A 1.345(6) .
N2A C18A 1.459(6) .
N2A C2A 1.480(6) .
N3A C4A 1.319(6) .
N3A C3A 1.477(7) .
N3A H3NA 0.8800 .
N4A C11A 1.356(7) .
N4A C10A 1.358(6) .
N4A H4NA 0.8800 .
N5A C23A 1.350(6) .
N5A C19A 1.352(6) .
N6A C28A 1.346(6) .
N6A C24A 1.358(6) .
C2A C3A 1.512(7) .
C2A H2AA 0.9900 .
C2A H2AB 0.9900 .
C3A H3AA 0.9900 .
C3A H3AB 0.9900 .
C4A C16A 1.454(7) .
C4A C5A 1.461(7) .
C5A C10A 1.406(7) .
C5A C6A 1.429(7) .
C6A C7A 1.361(7) .
C6A H6A 0.9500 .
C7A C8A 1.396(8) .
C7A H7A 0.9500 .
C8A C9A 1.372(8) .
C8A H8A 0.9500 .
C9A C10A 1.401(7) .
C9A H9A 0.9500 .
C11A C16A 1.411(7) .
C11A C12A 1.412(7) .
C12A C13A 1.340(8) .
C12A H12A 0.9500 .
C13A C14A 1.406(9) .
C13A H13A 0.9500 .
C14A C15A 1.377(8) .
C14A H14A 0.9500 .
C15A C16A 1.411(7) .
C15A H15A 0.9500 .
C17A H17D 0.9800 .
C17A H17E 0.9800 .
C17A H17F 0.9800 .
C18A H18D 0.9800 .
C18A H18E 0.9800 .
C18A H18F 0.9800 .
C19A C20A 1.395(7) .
C19A H19A 0.9500 .
C20A C21A 1.365(9) .
C20A H20A 0.9500 .
C21A C22A 1.377(8) .
C21A H21A 0.9500 .
C22A C23A 1.404(7) .
C22A H22A 0.9500 .
C23A C24A 1.478(7) .
C24A C25A 1.376(7) .
C25A C26A 1.394(8) .
C25A H25A 0.9500 .
C26A C27A 1.358(8) .
C26A H26A 0.9500 .
C27A C28A 1.406(7) .
C27A H27A 0.9500 .
C28A H28A 0.9500 .
Pt3 N5B 2.012(4) .
Pt3 N6B 2.030(4) .
Pt3 S1B 2.2888(13) .
Pt3 Cl3 2.2986(13) .
S1B C1B 1.762(6) .
N1B C1B 1.323(7) .
N1B C17B 1.462(7) .
N1B H1NB 0.82(5) .
N2B C1B 1.319(7) .
N2B C18B 1.466(7) .
N2B C2B 1.471(7) .
N3B C4B 1.368(8) .
N3B C3B 1.427(8) .
N3B H3NB 0.8800 .
N4B C11B 1.355(7) .
N4B C10B 1.369(7) .
N4B H4NB 0.8800 .
N5B C23B 1.353(6) .
N5B C19B 1.355(6) .
N6B C28B 1.343(6) .
N6B C24B 1.361(6) .
C2B C3B 1.508(8) .
C2B H2BA 0.9900 .
C2B H2BB 0.9900 .
C3B H3BA 0.9900 .
C3B H3BB 0.9900 .
C4B C5B 1.424(9) .
C4B C16B 1.443(8) .
C5B C6B 1.419(8) .
C5B C10B 1.426(8) .
C6B C7B 1.327(9) .
C6B H6B 0.9500 .
C7B C8B 1.383(10) .
C7B H7B 0.9500 .
C8B C9B 1.421(9) .
C8B H8B 0.9500 .
C9B C10B 1.390(9) .
C9B H9B 0.9500 .
C11B C16B 1.403(8) .
C11B C12B 1.416(7) .
C12B C13B 1.365(8) .
C12B H12B 0.9500 .
C13B C14B 1.399(9) .
C13B H13B 0.9500 .
C14B C15B 1.340(9) .
C14B H14B 0.9500 .
C15B C16B 1.438(8) .
C15B H15B 0.9500 .
C17B H17G 0.9800 .
C17B H17H 0.9800 .
C17B H17I 0.9800 .
C18B H18G 0.9800 .
C18B H18H 0.9800 .
C18B H18I 0.9800 .
C19B C20B 1.367(7) .
C19B H19B 0.9500 .
C20B C21B 1.388(9) .
C20B H20B 0.9500 .
C21B C22B 1.380(9) .
C21B H21B 0.9500 .
C22B C23B 1.389(7) .
C22B H22B 0.9500 .
C23B C24B 1.465(7) .
C24B C25B 1.380(7) .
C25B C26B 1.401(9) .
C25B H25B 0.9500 .
C26B C27B 1.352(8) .
C26B H26B 0.9500 .
C27B C28B 1.379(7) .
C27B H27B 0.9500 .
C28B H28B 0.9500 .
N1C O3C 1.213(6) .
N1C O2C 1.235(7) .
N1C O1C 1.278(6) .
N1D O2D 1.212(6) .
N1D O1D 1.245(6) .
N1D O3D 1.259(6) .
N1E O1E 1.228(6) .
N1E O3E 1.230(6) .
N1E O2E 1.241(6) .
N1F O2F 1.211(6) .
N1F O3F 1.219(6) .
N1F O1F 1.236(6) .
N1G O2G 1.220(6) .
N1G O3G 1.228(7) .
N1G O1G 1.262(6) .
N1H O2H 1.192(9) .
N1H O3H 1.265(10) .
N1H O1H 1.361(9) .
N1I O1I 1.093(9) .
N1I O3I 1.220(10) .
N1I O2I 1.257(10) .
O2I O3I 1.722(16) 2_666
O3I O3I 1.52(2) 2_666
O3I O2I 1.722(16) 2_666
O2W H2W1 1.19(7) .
O5W H5W1 0.86(2) .
O7W H7W1 0.84(2) .
O8W H8W1 0.89(2) .
O9W H9W1 0.84(2) .
O10W H10W 0.88(2) .
O12W H12W 0.84(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N O1C 0.88 2.12 2.918(7) 149.9 2_655
N3 H3N O4W 0.88 2.28 2.959(6) 133.7 1_655
N4 H4N O9W 0.88 1.95 2.830(7) 175.5 .
N1A H1NA O1I 0.88 2.04 2.848(8) 151.2 .
N3A H3NA O12W 0.88 2.29 2.996(6) 136.9 1_655
N4A H4NA O7W 0.88 1.96 2.831(7) 171.4 2_667
N1B H1NB O10W 0.82(5) 2.03(5) 2.808(7) 159(5) 2_656
N3B H3NB O11W 0.88 2.41 3.057(8) 130.5 .
N4B H4NB O6W 0.88 1.98 2.837(6) 165.6 .
O2W H2W1 O8W 1.19(7) 1.49(7) 2.676(6) 171(6) 2_766
O5W H5W1 O3C 0.86(2) 2.15(5) 2.906(8) 148(7) .
O5W H5W1 O1C 0.86(2) 2.36(4) 3.151(7) 153(7) .
O7W H7W1 O3W 0.84(2) 1.89(3) 2.719(8) 169(8) .
O8W H8W1 O1D 0.89(2) 1.87(2) 2.752(7) 173(7) .
O8W H8W1 O3D 0.89(2) 2.74(6) 3.408(7) 133(6) .
O9W H9W1 O2G 0.84(2) 2.20(6) 2.937(9) 146(9) .
O10W H10W O2C 0.88(2) 2.19(8) 2.749(8) 121(7) .
O10W H10W O1E 0.88(2) 2.44(9) 2.889(7) 112(7) .
O12W H12W O7W 0.84(2) 2.05(4) 2.836(7) 155(7) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N5 Pt1 S1 C1 -151.2(2) .
N6 Pt1 S1 C1 179(23) .
Cl1 Pt1 S1 C1 27.5(2) .
N6 Pt1 N5 C19 179.9(4) .
Cl1 Pt1 N5 C19 -163.2(9) .
S1 Pt1 N5 C19 3.5(4) .
N6 Pt1 N5 C23 -1.7(3) .
Cl1 Pt1 N5 C23 15.1(14) .
S1 Pt1 N5 C23 -178.2(3) .
N5 Pt1 N6 C28 -177.8(4) .
Cl1 Pt1 N6 C28 3.9(4) .
S1 Pt1 N6 C28 -147.6(8) .
N5 Pt1 N6 C24 0.6(3) .
Cl1 Pt1 N6 C24 -177.7(3) .
S1 Pt1 N6 C24 30.8(12) .
C17 N1 C1 N2 -174.6(5) .
C17 N1 C1 S1 8.2(7) .
C18 N2 C1 N1 -1.5(7) .
C2 N2 C1 N1 -169.1(4) .
C18 N2 C1 S1 175.5(4) .
C2 N2 C1 S1 8.0(7) .
Pt1 S1 C1 N1 -102.4(4) .
Pt1 S1 C1 N2 80.5(4) .
C1 N2 C2 C3 -129.4(5) .
C18 N2 C2 C3 62.8(6) .
C4 N3 C3 C2 98.9(7) .
N2 C2 C3 N3 57.5(6) .
C3 N3 C4 C5 -12.1(9) .
C3 N3 C4 C16 165.5(5) .
N3 C4 C5 C10 173.5(5) .
C16 C4 C5 C10 -4.1(7) .
N3 C4 C5 C6 -11.1(8) .
C16 C4 C5 C6 171.3(5) .
C10 C5 C6 C7 -3.2(7) .
C4 C5 C6 C7 -178.7(5) .
C5 C6 C7 C8 -0.1(8) .
C6 C7 C8 C9 2.0(9) .
C7 C8 C9 C10 -0.4(9) .
C11 N4 C10 C5 3.0(7) .
C11 N4 C10 C9 -177.3(5) .
C6 C5 C10 N4 -175.5(4) .
C4 C5 C10 N4 0.2(7) .
C6 C5 C10 C9 4.8(7) .
C4 C5 C10 C9 -179.4(4) .
C8 C9 C10 N4 177.2(5) .
C8 C9 C10 C5 -3.1(8) .
C10 N4 C11 C16 -2.0(7) .
C10 N4 C11 C12 176.5(5) .
N4 C11 C12 C13 -178.2(5) .
C16 C11 C12 C13 0.3(8) .
C11 C12 C13 C14 -1.3(8) .
C12 C13 C14 C15 1.9(9) .
C13 C14 C15 C16 -1.3(9) .
N4 C11 C16 C15 178.8(5) .
C12 C11 C16 C15 0.3(7) .
N4 C11 C16 C4 -2.1(7) .
C12 C11 C16 C4 179.4(4) .
C14 C15 C16 C11 0.2(8) .
C14 C15 C16 C4 -178.9(5) .
N3 C4 C16 C11 -172.8(4) .
C5 C4 C16 C11 5.0(7) .
N3 C4 C16 C15 6.3(7) .
C5 C4 C16 C15 -175.9(5) .
C23 N5 C19 C20 0.6(8) .
Pt1 N5 C19 C20 178.9(4) .
N5 C19 C20 C21 -1.3(9) .
C19 C20 C21 C22 1.5(9) .
C20 C21 C22 C23 -1.1(9) .
C19 N5 C23 C22 -0.1(7) .
Pt1 N5 C23 C22 -178.6(4) .
C19 N5 C23 C24 -179.0(4) .
Pt1 N5 C23 C24 2.5(5) .
C21 C22 C23 N5 0.4(8) .
C21 C22 C23 C24 179.2(5) .
C28 N6 C24 C25 -0.5(7) .
Pt1 N6 C24 C25 -178.9(4) .
C28 N6 C24 C23 179.0(4) .
Pt1 N6 C24 C23 0.6(5) .
N5 C23 C24 N6 -2.0(6) .
C22 C23 C24 N6 179.1(5) .
N5 C23 C24 C25 177.5(5) .
C22 C23 C24 C25 -1.4(8) .
N6 C24 C25 C26 0.5(8) .
C23 C24 C25 C26 -179.0(5) .
C24 C25 C26 C27 -0.7(9) .
C25 C26 C27 C28 0.8(9) .
C24 N6 C28 C27 0.6(7) .
Pt1 N6 C28 C27 178.9(4) .
C26 C27 C28 N6 -0.8(8) .
N5A Pt2 S1A C1A -151.2(2) .
N6A Pt2 S1A C1A 176.0(9) .
Cl2 Pt2 S1A C1A 27.44(18) .
N6A Pt2 N5A C23A -1.9(3) .
Cl2 Pt2 N5A C23A 16.5(14) .
S1A Pt2 N5A C23A -178.1(3) .
N6A Pt2 N5A C19A 179.9(4) .
Cl2 Pt2 N5A C19A -161.7(10) .
S1A Pt2 N5A C19A 3.7(4) .
N5A Pt2 N6A C28A -176.7(4) .
Cl2 Pt2 N6A C28A 5.0(4) .
S1A Pt2 N6A C28A -143.4(8) .
N5A Pt2 N6A C24A 0.7(3) .
Cl2 Pt2 N6A C24A -177.5(3) .
S1A Pt2 N6A C24A 34.0(11) .
C17A N1A C1A N2A -174.7(5) .
C17A N1A C1A S1A 9.9(7) .
C18A N2A C1A N1A -1.3(7) .
C2A N2A C1A N1A -171.3(4) .
C18A N2A C1A S1A 174.0(4) .
C2A N2A C1A S1A 4.0(7) .
Pt2 S1A C1A N1A -104.2(4) .
Pt2 S1A C1A N2A 80.4(4) .
C1A N2A C2A C3A -127.1(5) .
C18A N2A C2A C3A 62.7(6) .
C4A N3A C3A C2A 100.2(6) .
N2A C2A C3A N3A 60.9(6) .
C3A N3A C4A C16A 163.2(5) .
C3A N3A C4A C5A -15.2(8) .
N3A C4A C5A C10A 174.3(5) .
C16A C4A C5A C10A -4.1(6) .
N3A C4A C5A C6A -8.6(8) .
C16A C4A C5A C6A 173.1(5) .
C10A C5A C6A C7A -3.2(8) .
C4A C5A C6A C7A 179.5(5) .
C5A C6A C7A C8A 1.5(8) .
C6A C7A C8A C9A 0.2(9) .
C7A C8A C9A C10A 0.1(8) .
C11A N4A C10A C9A -177.3(4) .
C11A N4A C10A C5A 2.4(7) .
C8A C9A C10A N4A 177.6(5) .
C8A C9A C10A C5A -2.1(8) .
C6A C5A C10A N4A -176.2(4) .
C4A C5A C10A N4A 1.2(7) .
C6A C5A C10A C9A 3.5(7) .
C4A C5A C10A C9A -179.1(4) .
C10A N4A C11A C16A -2.9(7) .
C10A N4A C11A C12A 178.2(4) .
N4A C11A C12A C13A 178.7(5) .
C16A C11A C12A C13A -0.2(7) .
C11A C12A C13A C14A 0.4(8) .
C12A C13A C14A C15A 0.4(8) .
C13A C14A C15A C16A -1.4(8) .
C14A C15A C16A C11A 1.5(7) .
C14A C15A C16A C4A -177.8(5) .
N4A C11A C16A C15A -179.6(4) .
C12A C11A C16A C15A -0.7(7) .
N4A C11A C16A C4A -0.3(7) .
C12A C11A C16A C4A 178.6(4) .
N3A C4A C16A C15A 4.5(7) .
C5A C4A C16A C15A -177.1(4) .
N3A C4A C16A C11A -174.8(4) .
C5A C4A C16A C11A 3.6(6) .
C23A N5A C19A C20A -0.3(7) .
Pt2 N5A C19A C20A 177.9(4) .
N5A C19A C20A C21A -0.9(8) .
C19A C20A C21A C22A 1.9(9) .
C20A C21A C22A C23A -1.8(8) .
C19A N5A C23A C22A 0.4(7) .
Pt2 N5A C23A C22A -178.0(4) .
C19A N5A C23A C24A -179.0(4) .
Pt2 N5A C23A C24A 2.7(5) .
C21A C22A C23A N5A 0.7(8) .
C21A C22A C23A C24A -180.0(5) .
C28A N6A C24A C25A -0.3(7) .
Pt2 N6A C24A C25A -177.9(4) .
C28A N6A C24A C23A 178.0(4) .
Pt2 N6A C24A C23A 0.4(5) .
N5A C23A C24A N6A -2.0(6) .
C22A C23A C24A N6A 178.6(4) .
N5A C23A C24A C25A 176.2(5) .
C22A C23A C24A C25A -3.1(8) .
N6A C24A C25A C26A -0.1(8) .
C23A C24A C25A C26A -178.3(5) .
C24A C25A C26A C27A -0.2(9) .
C25A C26A C27A C28A 0.8(8) .
C24A N6A C28A C27A 1.0(7) .
Pt2 N6A C28A C27A 178.3(4) .
C26A C27A C28A N6A -1.2(8) .
N5B Pt3 S1B C1B 150.8(2) .
N6B Pt3 S1B C1B -169.1(8) .
Cl3 Pt3 S1B C1B -27.3(2) .
N6B Pt3 N5B C23B 1.6(3) .
S1B Pt3 N5B C23B 176.4(3) .
Cl3 Pt3 N5B C23B -22.7(14) .
N6B Pt3 N5B C19B 179.9(4) .
S1B Pt3 N5B C19B -5.4(4) .
Cl3 Pt3 N5B C19B 155.6(10) .
N5B Pt3 N6B C28B 176.7(4) .
S1B Pt3 N6B C28B 136.1(7) .
Cl3 Pt3 N6B C28B -5.7(4) .
N5B Pt3 N6B C24B 0.2(3) .
S1B Pt3 N6B C24B -40.5(10) .
Cl3 Pt3 N6B C24B 177.7(3) .
C18B N2B C1B N1B 1.0(8) .
C2B N2B C1B N1B 173.3(5) .
C18B N2B C1B S1B -176.2(4) .
C2B N2B C1B S1B -3.9(7) .
C17B N1B C1B N2B 174.7(5) .
C17B N1B C1B S1B -8.1(7) .
Pt3 S1B C1B N2B -77.9(4) .
Pt3 S1B C1B N1B 104.8(4) .
C1B N2B C2B C3B 125.6(6) .
C18B N2B C2B C3B -61.9(7) .
C4B N3B C3B C2B -105.6(7) .
N2B C2B C3B N3B -59.2(8) .
C3B N3B C4B C5B 18.2(10) .
C3B N3B C4B C16B -161.4(6) .
N3B C4B C5B C6B 7.5(9) .
C16B C4B C5B C6B -173.0(5) .
N3B C4B C5B C10B -176.8(5) .
C16B C4B C5B C10B 2.8(8) .
C4B C5B C6B C7B -178.7(6) .
C10B C5B C6B C7B 5.3(8) .
C5B C6B C7B C8B -3.2(10) .
C6B C7B C8B C9B 0.0(10) .
C7B C8B C9B C10B 0.7(9) .
C11B N4B C10B C9B 178.9(5) .
C11B N4B C10B C5B -0.1(7) .
C8B C9B C10B N4B -177.1(5) .
C8B C9B C10B C5B 1.9(8) .
C6B C5B C10B N4B 174.2(5) .
C4B C5B C10B N4B -2.0(8) .
C6B C5B C10B C9B -4.8(8) .
C4B C5B C10B C9B 179.0(5) .
C10B N4B C11B C16B 1.4(7) .
C10B N4B C11B C12B -178.5(5) .
N4B C11B C12B C13B -179.4(5) .
C16B C11B C12B C13B 0.7(8) .
C11B C12B C13B C14B 0.5(8) .
C12B C13B C14B C15B -0.7(10) .
C13B C14B C15B C16B -0.2(10) .
N4B C11B C16B C15B 178.5(5) .
C12B C11B C16B C15B -1.6(7) .
N4B C11B C16B C4B -0.5(8) .
C12B C11B C16B C4B 179.4(5) .
C14B C15B C16B C11B 1.3(8) .
C14B C15B C16B C4B -179.7(6) .
N3B C4B C16B C11B 178.0(5) .
C5B C4B C16B C11B -1.6(8) .
N3B C4B C16B C15B -0.9(8) .
C5B C4B C16B C15B 179.5(5) .
C23B N5B C19B C20B 0.7(7) .
Pt3 N5B C19B C20B -177.5(4) .
N5B C19B C20B C21B 0.9(9) .
C19B C20B C21B C22B -1.5(9) .
C20B C21B C22B C23B 0.7(9) .
C19B N5B C23B C22B -1.6(7) .
Pt3 N5B C23B C22B 176.8(4) .
C19B N5B C23B C24B 178.5(4) .
Pt3 N5B C23B C24B -3.1(5) .
C21B C22B C23B N5B 0.9(8) .
C21B C22B C23B C24B -179.2(5) .
C28B N6B C24B C25B 1.0(7) .
Pt3 N6B C24B C25B 177.8(4) .
C28B N6B C24B C23B -178.6(4) .
Pt3 N6B C24B C23B -1.8(5) .
N5B C23B C24B N6B 3.2(6) .
C22B C23B C24B N6B -176.7(5) .
N5B C23B C24B C25B -176.4(5) .
C22B C23B C24B C25B 3.7(8) .
N6B C24B C25B C26B -1.9(8) .
C23B C24B C25B C26B 177.7(5) .
C24B C25B C26B C27B 1.7(9) .
C25B C26B C27B C28B -0.6(9) .
C24B N6B C28B C27B 0.1(7) .
Pt3 N6B C28B C27B -176.3(4) .
C26B C27B C28B N6B -0.3(8) .
O1I N1I O2I O3I -169.5(14) 2_666
O3I N1I O2I O3I 9.4(15) 2_666
O1I N1I O3I O3I 168.6(12) 2_666
O2I N1I O3I O3I -10.4(16) 2_666
O1I N1I O3I O2I 142(4) 2_666
O2I N1I O3I O2I -37(5) 2_666
