#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/72/4337208.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_4337208
loop_
_publ_author_name
'Otsubo, Kazuya'
'Kobayashi, Atsushi'
'Sugimoto, Kunihisa'
'Fujiwara, Akihiko'
'Kitagawa, Hiroshi'
_publ_section_title
;
 Variable-rung design for a mixed-valence two-legged ladder system
 situated in a dimensional crossover region.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1229
_journal_page_last               1240
_journal_paper_doi               10.1021/ic402846v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C21 H40 Cl6 N10 O17 Pt2 '
_chemical_formula_sum            'C21 H40 Cl6 N10 O17 Pt2'
_chemical_formula_weight         1307.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0170(10)
_cell_angle_beta                 90.0110(10)
_cell_angle_gamma                90.0440(10)
_cell_formula_units_Z            4
_cell_length_a                   9.1522(13)
_cell_length_b                   10.9649(16)
_cell_length_c                   38.500(5)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.29
_cell_volume                     3863.6(9)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'CrystalStructure 3.8.0'
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  'SHELXL (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Giacovazzo, 2005)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode with a mirror focusing unit'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            42497
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    7.732
_exptl_absorpt_correction_T_max  0.8012
_exptl_absorpt_correction_T_min  0.5867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.699
_refine_diff_density_min         -2.163
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.299
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1060
_refine_ls_number_reflns         16909
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.294
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0537
_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)+(0.0000P)²+65.5749P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                12580
_reflns_number_total             16909
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic402846v_si_002.cif
_cod_data_source_block           Compound_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_cell_volume        3863.6(10)
_cod_original_formula_sum        'C21 H40 Cl6 N10 O17 Pt2 '
_cod_database_code               4337208
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pt1 Pt 0.12588(4) 0.49920(3) 0.355284(9) 0.01599(8) Uani 1 1 d . . .
Pt2 Pt 0.12588(4) 1.00082(3) 0.355291(9) 0.01595(8) Uani 1 1 d . . .
Pt3 Pt 0.62586(4) 0.50086(3) 0.144714(9) 0.01647(8) Uani 1 1 d . . .
Pt4 Pt 0.62591(4) 0.99921(3) 0.144718(9) 0.01637(8) Uani 1 1 d . . .
Cl1 Cl 0.1223(5) 0.7066(4) 0.35649(12) 0.0189(9) Uani 0.50 1 d P . .
Cl2 Cl 0.1213(5) 0.2838(5) 0.35539(12) 0.0177(9) Uani 0.50 1 d P . .
Cl3 Cl 0.1224(5) 0.7937(4) 0.35644(12) 0.0187(9) Uani 0.50 1 d P . .
Cl4 Cl 0.1212(5) 1.2167(5) 0.35537(12) 0.0173(9) Uani 0.50 1 d P . .
Cl5 Cl 0.6222(5) 0.2931(5) 0.14346(12) 0.0206(9) Uani 0.50 1 d P . .
Cl6 Cl 0.6210(5) 0.7175(6) 0.14458(12) 0.0183(10) Uani 0.50 1 d P . .
Cl7 Cl 0.6212(5) 0.7832(6) 0.14458(13) 0.0194(10) Uani 0.50 1 d P . .
Cl8 Cl 0.6224(5) 1.2070(5) 0.14343(12) 0.0210(9) Uani 0.50 1 d P . .
Cl9 Cl -0.4270(3) 0.2501(3) 0.37972(7) 0.0282(5) Uani 1 1 d . . .
Cl10 Cl -0.4822(3) 0.2498(2) 0.26903(6) 0.0293(5) Uani 1 1 d . . .
Cl11 Cl -0.0926(2) 0.7500(2) 0.45067(6) 0.0208(5) Uani 1 1 d . . .
Cl12 Cl -0.4471(3) 0.7499(2) 0.30390(7) 0.0278(5) Uani 1 1 d . . .
Cl13 Cl -0.9472(3) 0.2503(2) 0.19602(7) 0.0279(5) Uani 1 1 d . . .
Cl14 Cl -0.9826(3) 0.7500(2) 0.23089(6) 0.0300(5) Uani 1 1 d . . .
Cl15 Cl 0.0730(3) 0.7500(3) 0.12025(7) 0.0293(5) Uani 1 1 d . . .
Cl16 Cl 0.4074(2) 1.2500(2) 0.04937(6) 0.0208(5) Uani 1 1 d . . .
O1 O -0.4557(13) 0.2503(14) 0.4158(3) 0.086(4) Uani 1 1 d . . .
O2 O -0.4898(8) 0.1424(8) 0.3638(2) 0.044(2) Uani 1 1 d . . .
O3 O -0.4898(8) 0.3571(8) 0.3638(2) 0.042(2) Uani 1 1 d . . .
O4 O -0.2705(7) 0.2501(7) 0.3740(2) 0.0324(17) Uani 1 1 d . . .
O5 O -0.6270(10) 0.2501(9) 0.2843(2) 0.049(2) Uani 1 1 d . . .
O6 O -0.4942(8) 0.2502(6) 0.23108(17) 0.0233(14) Uani 1 1 d . . .
O7 O -0.4135(13) 0.3588(12) 0.2797(2) 0.080(4) Uani 1 1 d . . .
O8 O -0.4127(14) 0.1415(12) 0.2798(3) 0.082(4) Uani 1 1 d . . .
O9 O -0.1442(9) 0.7500(9) 0.4852(2) 0.048(2) Uani 1 1 d . A .
O10 O -0.2083(9) 0.7508(10) 0.4250(2) 0.050(2) Uani 1 1 d . A .
O11A O -0.0469(17) 0.8812(14) 0.4483(4) 0.0298(17) Uani 0.50 1 d P A 1
O11B O 0.0286(17) 0.8234(14) 0.4426(4) 0.0298(17) Uani 0.50 1 d P A 2
O12A O 0.0292(17) 0.6764(14) 0.4429(4) 0.0298(17) Uani 0.50 1 d P A 1
O12B O -0.0474(17) 0.6192(14) 0.4482(4) 0.0298(17) Uani 0.50 1 d P A 2
O13 O -0.4629(11) 0.6478(13) 0.3244(4) 0.111(6) Uani 1 1 d . . .
O14 O -0.5633(14) 0.7504(11) 0.2783(3) 0.073(3) Uani 1 1 d . . .
O15 O -0.4633(11) 0.8522(13) 0.3243(4) 0.118(7) Uani 1 1 d . . .
O16 O -0.3070(15) 0.7504(14) 0.2892(4) 0.113(6) Uani 1 1 d . . .
O17 O -0.9624(11) 0.1488(14) 0.1754(4) 0.123(7) Uani 1 1 d . . .
O18 O -0.9625(11) 0.3514(14) 0.1755(5) 0.121(7) Uani 1 1 d . . .
O19 O -1.0617(13) 0.2502(11) 0.2219(2) 0.071(3) Uani 1 1 d . . .
O20 O -0.8067(15) 0.2510(14) 0.2110(4) 0.115(6) Uani 1 1 d . . .
O21 O -0.9133(13) 0.6423(12) 0.2202(2) 0.080(4) Uani 1 1 d . . .
O22 O -1.1264(10) 0.7501(10) 0.2157(2) 0.051(2) Uani 1 1 d . . .
O23 O -0.9130(14) 0.8576(12) 0.2201(2) 0.082(4) Uani 1 1 d . . .
O24 O -0.9939(8) 0.7502(6) 0.26882(17) 0.0232(14) Uani 1 1 d . . .
O25 O 0.0106(8) 0.6426(8) 0.1362(2) 0.045(2) Uani 1 1 d . . .
O26 O 0.0436(13) 0.7495(15) 0.0841(3) 0.091(4) Uani 1 1 d . . .
O27 O 0.0104(8) 0.8572(8) 0.1362(2) 0.042(2) Uani 1 1 d . . .
O28 O 0.2298(7) 0.7506(7) 0.1260(2) 0.0328(17) Uani 1 1 d . . .
O29 O 0.2923(9) 1.2496(10) 0.0748(2) 0.050(2) Uani 1 1 d . B .
O30 O 0.3563(9) 1.2498(9) 0.0146(2) 0.046(2) Uani 1 1 d . B .
O31A O 0.4540(18) 1.3812(14) 0.0518(4) 0.0318(17) Uani 0.50 1 d P B 1
O31B O 0.5289(18) 1.3233(14) 0.0572(4) 0.0318(17) Uani 0.50 1 d P B 2
O32A O 0.5287(18) 1.1764(14) 0.0572(4) 0.0318(17) Uani 0.50 1 d P B 1
O32B O 0.4542(18) 1.1194(14) 0.0519(4) 0.0318(17) Uani 0.50 1 d P B 2
O33 O -0.5563(7) 0.7501(7) 0.06826(18) 0.0254(15) Uani 1 1 d DU . .
O34 O -0.0562(7) 0.2502(6) 0.43158(17) 0.0245(15) Uani 1 1 d DU . .
N1 N 0.2577(8) 0.4996(7) 0.39854(19) 0.0152(15) Uani 1 1 d . . .
N2 N -0.0659(9) 0.4984(8) 0.3828(2) 0.0237(18) Uani 1 1 d . . .
H5 H -0.0820 0.4225 0.3922 0.028 Uiso 1 1 calc R . .
H6 H -0.0617 0.5545 0.4005 0.028 Uiso 1 1 calc R . .
N3 N -0.0064(8) 0.5097(7) 0.3132(2) 0.0201(17) Uani 1 1 d . . .
H11 H -0.0135 0.5920 0.3076 0.024 Uiso 1 1 calc R . .
N4 N 0.2894(8) 0.4821(8) 0.3195(2) 0.0235(18) Uani 1 1 d . . .
H16 H 0.3599 0.5405 0.3232 0.028 Uiso 1 1 calc R . .
H17 H 0.3322 0.4065 0.3213 0.028 Uiso 1 1 calc R . .
N5 N 0.5200(10) 0.5299(8) 0.4870(2) 0.030(2) Uani 1 1 d . . .
N6 N 0.2579(8) 1.0012(6) 0.39841(19) 0.0152(15) Uani 1 1 d . . .
N7 N -0.0658(9) 1.0011(8) 0.38278(19) 0.0222(18) Uani 1 1 d . . .
H22 H -0.0619 0.9443 0.4004 0.027 Uiso 1 1 calc R . .
H23 H -0.0815 1.0766 0.3925 0.027 Uiso 1 1 calc R . .
N8 N -0.0059(8) 0.9898(7) 0.31315(19) 0.0171(16) Uani 1 1 d . . .
H28 H -0.0123 0.9075 0.3075 0.021 Uiso 1 1 calc R . .
N9 N 0.2897(8) 1.0182(8) 0.3194(2) 0.0228(18) Uani 1 1 d . . .
H33 H 0.3324 1.0939 0.3212 0.027 Uiso 1 1 calc R . .
H34 H 0.3603 0.9600 0.3231 0.027 Uiso 1 1 calc R . .
N10 N 0.5196(10) 0.9694(8) 0.4870(2) 0.030(2) Uani 1 1 d . . .
N11 N 0.7579(8) 0.5009(7) 0.10163(19) 0.0158(15) Uani 1 1 d . . .
N12 N 0.7896(8) 0.5176(8) 0.1809(2) 0.0235(18) Uani 1 1 d . . .
H39 H 0.8596 0.4587 0.1772 0.028 Uiso 1 1 calc R . .
H40 H 0.8332 0.5929 0.1790 0.028 Uiso 1 1 calc R . .
N13 N 0.4944(8) 0.4903(7) 0.18680(18) 0.0163(16) Uani 1 1 d . . .
H45 H 0.4882 0.4080 0.1924 0.020 Uiso 1 1 calc R . .
N14 N 0.4341(9) 0.5008(8) 0.1174(2) 0.0243(18) Uani 1 1 d . . .
H50 H 0.4177 0.5766 0.1079 0.029 Uiso 1 1 calc R . .
H51 H 0.4385 0.4448 0.0996 0.029 Uiso 1 1 calc R . .
N15 N 1.0200(10) 0.4686(8) 0.0129(2) 0.031(2) Uani 1 1 d . . .
N16 N 0.7585(8) 0.9993(6) 0.10149(19) 0.0149(15) Uani 1 1 d . . .
N17 N 0.7894(8) 0.9825(8) 0.1809(2) 0.0226(18) Uani 1 1 d . . .
H56 H 0.8327 0.9071 0.1791 0.027 Uiso 1 1 calc R . .
H57 H 0.8597 1.0412 0.1772 0.027 Uiso 1 1 calc R . .
N18 N 0.4935(8) 1.0097(7) 0.18668(19) 0.0173(16) Uani 1 1 d . . .
H62 H 0.4870 1.0921 0.1922 0.021 Uiso 1 1 calc R . .
N19 N 0.4340(8) 0.9986(8) 0.1173(2) 0.0241(18) Uani 1 1 d . . .
H67 H 0.4384 1.0544 0.0995 0.029 Uiso 1 1 calc R . .
H68 H 0.4176 0.9226 0.1079 0.029 Uiso 1 1 calc R . .
N20 N 1.0195(10) 1.0310(8) 0.0129(2) 0.030(2) Uani 1 1 d . . .
C1 C 0.3750(11) 0.5730(9) 0.3992(3) 0.024(2) Uani 1 1 d . . .
H1 H 0.3988 0.6190 0.3791 0.029 Uiso 1 1 calc R . .
C2 C 0.4623(11) 0.5835(10) 0.4283(3) 0.029(2) Uani 1 1 d . . .
H2 H 0.5438 0.6372 0.4288 0.035 Uiso 1 1 calc R . .
C3 C 0.4264(11) 0.5126(9) 0.4569(3) 0.028(2) Uani 1 1 d . . .
C4 C 0.3076(12) 0.4355(9) 0.4564(3) 0.027(2) Uani 1 1 d . . .
H3 H 0.2824 0.3881 0.4761 0.033 Uiso 1 1 calc R . .
C5 C 0.2262(11) 0.4292(9) 0.4261(3) 0.022(2) Uani 1 1 d . . .
H4 H 0.1463 0.3741 0.4249 0.027 Uiso 1 1 calc R . .
C6 C -0.1883(11) 0.5308(11) 0.3577(3) 0.032(2) Uani 1 1 d . . .
H7 H -0.2832 0.5020 0.3670 0.038 Uiso 1 1 calc R . .
H8 H -0.1935 0.6203 0.3546 0.038 Uiso 1 1 calc R . .
C7 C -0.1560(11) 0.4698(11) 0.3236(3) 0.030(2) Uani 1 1 d . . .
H9 H -0.1596 0.3800 0.3262 0.036 Uiso 1 1 calc R . .
H10 H -0.2285 0.4945 0.3059 0.036 Uiso 1 1 calc R . .
C8 C 0.0684(11) 0.4504(10) 0.2837(3) 0.025(2) Uani 1 1 d . . .
H12 H 0.0186 0.4706 0.2616 0.030 Uiso 1 1 calc R . .
H13 H 0.0679 0.3607 0.2866 0.030 Uiso 1 1 calc R . .
C9 C 0.2228(11) 0.4980(11) 0.2835(3) 0.029(2) Uani 1 1 d . . .
H14 H 0.2231 0.5854 0.2770 0.035 Uiso 1 1 calc R . .
H15 H 0.2814 0.4528 0.2661 0.035 Uiso 1 1 calc R . .
C10 C 0.3740(10) 0.9264(9) 0.3993(3) 0.023(2) Uani 1 1 d . . .
H18 H 0.3960 0.8784 0.3795 0.027 Uiso 1 1 calc R . .
C11 C 0.4618(11) 0.9172(10) 0.4281(3) 0.028(2) Uani 1 1 d . . .
H19 H 0.5442 0.8645 0.4284 0.034 Uiso 1 1 calc R . .
C12 C 0.4258(12) 0.9877(9) 0.4569(3) 0.028(2) Uani 1 1 d . . .
C13 C 0.3077(12) 1.0646(9) 0.4561(3) 0.028(2) Uani 1 1 d . . .
H20 H 0.2824 1.1128 0.4757 0.034 Uiso 1 1 calc R . .
C14 C 0.2276(11) 1.0697(8) 0.4262(3) 0.022(2) Uani 1 1 d . . .
H21 H 0.1471 1.1242 0.4250 0.026 Uiso 1 1 calc R . .
C15 C -0.1880(11) 0.9698(11) 0.3576(3) 0.032(2) Uani 1 1 d . . .
H24 H -0.1947 0.8803 0.3546 0.039 Uiso 1 1 calc R . .
H25 H -0.2825 0.9996 0.3667 0.039 Uiso 1 1 calc R . .
C16 C -0.1563(11) 1.0286(10) 0.3235(3) 0.028(2) Uani 1 1 d . . .
H26 H -0.1610 1.1185 0.3257 0.034 Uiso 1 1 calc R . .
H27 H -0.2284 1.0023 0.3059 0.034 Uiso 1 1 calc R . .
C17 C 0.0683(11) 1.0498(9) 0.2838(3) 0.024(2) Uani 1 1 d . . .
H29 H 0.0677 1.1394 0.2868 0.029 Uiso 1 1 calc R . .
H30 H 0.0186 1.0297 0.2617 0.029 Uiso 1 1 calc R . .
C18 C 0.2229(11) 1.0022(10) 0.2836(3) 0.029(2) Uani 1 1 d . . .
H31 H 0.2815 1.0472 0.2662 0.035 Uiso 1 1 calc R . .
H32 H 0.2231 0.9147 0.2771 0.035 Uiso 1 1 calc R . .
C19 C 0.7265(11) 0.5697(8) 0.0741(3) 0.022(2) Uani 1 1 d . . .
H35 H 0.6462 0.6243 0.0754 0.027 Uiso 1 1 calc R . .
C20 C 0.8070(12) 0.5641(9) 0.0439(3) 0.027(2) Uani 1 1 d . . .
H36 H 0.7812 0.6118 0.0242 0.033 Uiso 1 1 calc R . .
C21 C 0.9265(11) 0.4867(9) 0.0430(3) 0.029(2) Uani 1 1 d . . .
C22 C 0.9625(11) 0.4178(10) 0.0719(3) 0.031(2) Uani 1 1 d . . .
H37 H 1.0461 0.3665 0.0719 0.037 Uiso 1 1 calc R . .
C23 C 0.8746(10) 0.4256(9) 0.1004(3) 0.027(2) Uani 1 1 d . . .
H38 H 0.8961 0.3765 0.1201 0.032 Uiso 1 1 calc R . .
C24 C 0.7228(11) 0.5027(10) 0.2166(3) 0.029(2) Uani 1 1 d . . .
H41 H 0.7234 0.4155 0.2233 0.035 Uiso 1 1 calc R . .
H42 H 0.7811 0.5486 0.2339 0.035 Uiso 1 1 calc R . .
C25 C 0.5689(11) 0.5494(10) 0.2162(3) 0.025(2) Uani 1 1 d . . .
H43 H 0.5191 0.5291 0.2383 0.030 Uiso 1 1 calc R . .
H44 H 0.5683 0.6392 0.2133 0.030 Uiso 1 1 calc R . .
C26 C 0.3442(11) 0.5284(11) 0.1768(3) 0.030(2) Uani 1 1 d . . .
H46 H 0.3387 0.6182 0.1746 0.036 Uiso 1 1 calc R . .
H47 H 0.2727 0.5016 0.1945 0.036 Uiso 1 1 calc R . .
C27 C 0.3124(11) 0.4681(11) 0.1422(3) 0.031(2) Uani 1 1 d . . .
H48 H 0.3069 0.3785 0.1451 0.037 Uiso 1 1 calc R . .
H49 H 0.2176 0.4971 0.1330 0.037 Uiso 1 1 calc R . .
C28 C 0.7268(11) 0.9300(8) 0.0741(3) 0.024(2) Uani 1 1 d . . .
H52 H 0.6466 0.8751 0.0755 0.028 Uiso 1 1 calc R . .
C29 C 0.8070(12) 0.9358(9) 0.0438(3) 0.028(2) Uani 1 1 d . . .
H53 H 0.7810 0.8882 0.0242 0.033 Uiso 1 1 calc R . .
C30 C 0.9264(11) 1.0130(9) 0.0430(3) 0.027(2) Uani 1 1 d . . .
C31 C 0.9626(11) 1.0830(10) 0.0718(3) 0.029(2) Uani 1 1 d . . .
H54 H 1.0450 1.1358 0.0715 0.035 Uiso 1 1 calc R . .
C32 C 0.8744(10) 1.0734(9) 0.1008(3) 0.026(2) Uani 1 1 d . . .
H55 H 0.8969 1.1207 0.1207 0.031 Uiso 1 1 calc R . .
C33 C 0.7227(11) 0.9979(10) 0.2165(3) 0.029(2) Uani 1 1 d . . .
H58 H 0.7808 0.9521 0.2339 0.035 Uiso 1 1 calc R . .
H59 H 0.7236 1.0852 0.2232 0.035 Uiso 1 1 calc R . .
C34 C 0.5684(11) 0.9512(10) 0.2162(2) 0.026(2) Uani 1 1 d . . .
H60 H 0.5676 0.8615 0.2134 0.031 Uiso 1 1 calc R . .
H61 H 0.5187 0.9721 0.2382 0.031 Uiso 1 1 calc R . .
C35 C 0.3442(10) 0.9713(11) 0.1766(3) 0.028(2) Uani 1 1 d . . .
H63 H 0.2725 0.9975 0.1943 0.034 Uiso 1 1 calc R . .
H64 H 0.3391 0.8815 0.1743 0.034 Uiso 1 1 calc R . .
C36 C 0.3117(11) 1.0316(11) 0.1422(3) 0.032(2) Uani 1 1 d . . .
H65 H 0.3063 1.1212 0.1451 0.038 Uiso 1 1 calc R . .
H66 H 0.2168 1.0024 0.1330 0.038 Uiso 1 1 calc R . .
C37A C -0.630(3) 0.721(2) 0.0418(6) 0.024(4) Uani 0.50 1 d PDU C 1
C37B C -0.621(3) 0.775(2) 0.0437(6) 0.024(4) Uani 0.50 1 d PDU C 2
C38A C -0.645(2) 0.597(2) 0.0280(6) 0.033(3) Uani 0.50 1 d PDU C 1
H69A H -0.5705 0.5444 0.0383 0.050 Uiso 0.50 1 calc PR C 1
H70A H -0.6333 0.5984 0.0027 0.050 Uiso 0.50 1 calc PR C 1
H71A H -0.7425 0.5654 0.0338 0.050 Uiso 0.50 1 calc PR C 1
C38B C -0.709(2) 0.6755(19) 0.0245(6) 0.033(3) Uani 0.50 1 d PDU C 2
H70B H -0.6702 0.6659 0.0009 0.050 Uiso 0.50 1 calc PR C 2
H71B H -0.8118 0.6990 0.0234 0.050 Uiso 0.50 1 calc PR C 2
H69B H -0.6995 0.5982 0.0371 0.050 Uiso 0.50 1 calc PR C 2
C39A C -0.710(2) 0.823(2) 0.0242(6) 0.033(3) Uani 0.50 1 d PDU C 1
H72A H -0.6810 0.9006 0.0346 0.050 Uiso 0.50 1 calc PR C 1
H73A H -0.8154 0.8109 0.0271 0.050 Uiso 0.50 1 calc PR C 1
H74A H -0.6859 0.8230 -0.0006 0.050 Uiso 0.50 1 calc PR C 1
C39B C -0.646(2) 0.9020(18) 0.0278(6) 0.033(3) Uani 0.50 1 d PDU C 2
H73B H -0.7405 0.9341 0.0356 0.050 Uiso 0.50 1 calc PR C 2
H74B H -0.6459 0.8956 0.0024 0.050 Uiso 0.50 1 calc PR C 2
H72B H -0.5679 0.9571 0.0352 0.050 Uiso 0.50 1 calc PR C 2
C40B C -0.127(4) 0.275(2) 0.4574(8) 0.028(6) Uani 0.50 1 d PDU D 2
C41A C -0.146(2) 0.0990(19) 0.4720(6) 0.034(3) Uani 0.50 1 d PDU D 1
H75A H -0.2378 0.0648 0.4634 0.051 Uiso 0.50 1 calc PR D 1
H76A H -0.1484 0.1027 0.4975 0.051 Uiso 0.50 1 calc PR D 1
H77A H -0.0643 0.0471 0.4646 0.051 Uiso 0.50 1 calc PR D 1
C41B C -0.210(2) 0.178(2) 0.4755(6) 0.034(3) Uani 0.50 1 d PDU D 2
H77B H -0.1895 0.0993 0.4644 0.051 Uiso 0.50 1 calc PR D 2
H75B H -0.3145 0.1954 0.4741 0.051 Uiso 0.50 1 calc PR D 2
H76B H -0.1796 0.1747 0.4999 0.051 Uiso 0.50 1 calc PR D 2
C42A C -0.210(2) 0.322(2) 0.4760(6) 0.034(3) Uani 0.50 1 d PDU D 1
H80A H -0.1779 0.3280 0.5002 0.051 Uiso 0.50 1 calc PR D 1
H78A H -0.3146 0.3028 0.4753 0.051 Uiso 0.50 1 calc PR D 1
H79A H -0.1928 0.4002 0.4643 0.051 Uiso 0.50 1 calc PR D 1
C42B C -0.146(2) 0.4017(19) 0.4723(6) 0.034(3) Uani 0.50 1 d PDU D 2
H79B H -0.0661 0.4542 0.4644 0.051 Uiso 0.50 1 calc PR D 2
H80B H -0.1452 0.3974 0.4977 0.051 Uiso 0.50 1 calc PR D 2
H78B H -0.2395 0.4356 0.4645 0.051 Uiso 0.50 1 calc PR D 2
C40A C -0.126(4) 0.223(2) 0.4579(8) 0.028(6) Uani 0.50 1 d PDU D 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;
International Tables for Crystallography
(1992, 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
N3 Pt1 N4 84.4(3) .
N3 Pt1 N2 84.4(3) .
N4 Pt1 N2 167.2(3) .
N3 Pt1 N1 176.5(3) .
N4 Pt1 N1 96.7(3) .
N2 Pt1 N1 94.8(3) .
N3 Pt1 Cl1 87.1(3) .
N4 Pt1 Cl1 96.7(3) .
N2 Pt1 Cl1 88.9(3) .
N1 Pt1 Cl1 89.5(2) .
N3 Pt1 Cl2 92.8(3) .
N4 Pt1 Cl2 85.5(3) .
N2 Pt1 Cl2 88.9(3) .
N1 Pt1 Cl2 90.6(2) .
Cl1 Pt1 Cl2 177.75(17) .
N8 Pt2 N9 84.3(3) .
N8 Pt2 N7 84.5(3) .
N9 Pt2 N7 167.2(3) .
N8 Pt2 N6 176.6(3) .
N9 Pt2 N6 96.6(3) .
N7 Pt2 N6 94.9(3) .
N8 Pt2 Cl3 87.0(2) .
N9 Pt2 Cl3 96.7(3) .
N7 Pt2 Cl3 88.8(3) .
N6 Pt2 Cl3 89.6(2) .
N8 Pt2 Cl4 92.8(2) .
N9 Pt2 Cl4 85.5(3) .
N7 Pt2 Cl4 89.0(3) .
N6 Pt2 Cl4 90.5(2) .
Cl3 Pt2 Cl4 177.79(17) .
N13 Pt3 N14 84.4(3) .
N13 Pt3 N11 176.7(3) .
N14 Pt3 N11 95.1(3) .
N13 Pt3 N12 84.0(3) .
N14 Pt3 N12 167.0(3) .
N11 Pt3 N12 96.8(3) .
N13 Pt3 Cl5 87.2(2) .
N14 Pt3 Cl5 88.7(3) .
N11 Pt3 Cl5 89.5(2) .
N12 Pt3 Cl5 96.5(3) .
N13 Pt3 Cl6 92.7(2) .
N14 Pt3 Cl6 89.0(3) .
N11 Pt3 Cl6 90.5(2) .
N12 Pt3 Cl6 85.8(3) .
Cl5 Pt3 Cl6 177.66(17) .
N18 Pt4 N19 84.1(3) .
N18 Pt4 N17 84.3(3) .
N19 Pt4 N17 166.9(3) .
N18 Pt4 N16 176.6(3) .
N19 Pt4 N16 95.1(3) .
N17 Pt4 N16 96.8(3) .
N18 Pt4 Cl8 87.2(2) .
N19 Pt4 Cl8 88.8(3) .
N17 Pt4 Cl8 96.6(3) .
N16 Pt4 Cl8 89.5(2) .
N18 Pt4 Cl7 92.7(2) .
N19 Pt4 Cl7 88.9(3) .
N17 Pt4 Cl7 85.7(3) .
N16 Pt4 Cl7 90.5(2) .
Cl8 Pt4 Cl7 177.69(17) .
Cl3 Cl1 Pt1 178.4(5) .
Cl4 Cl2 Pt1 179.1(7) 1_545
Cl1 Cl3 Pt2 178.7(5) .
Cl2 Cl4 Pt2 178.9(7) 1_565
Cl8 Cl5 Pt3 178.5(5) 1_545
Cl7 Cl6 Pt3 178.7(7) .
Cl6 Cl7 Pt4 179.1(8) .
Cl5 Cl8 Pt4 178.5(5) 1_565
O1 Cl9 O3 110.1(7) .
O1 Cl9 O4 109.4(6) .
O3 Cl9 O4 109.2(5) .
O1 Cl9 O2 110.1(7) .
O3 Cl9 O2 108.9(5) .
O4 Cl9 O2 109.1(5) .
O8 Cl10 O7 115.2(8) .
O8 Cl10 O5 107.2(7) .
O7 Cl10 O5 106.7(7) .
O8 Cl10 O6 109.3(5) .
O7 Cl10 O6 108.8(5) .
O5 Cl10 O6 109.6(5) .
O11B Cl11 O12A 69.8(9) .
O11B Cl11 O9 118.2(7) .
O12A Cl11 O9 117.8(7) .
O11B Cl11 O10 115.0(7) .
O12A Cl11 O10 115.9(7) .
O9 Cl11 O10 113.5(5) .
O11B Cl11 O12B 108.4(9) .
O9 Cl11 O12B 98.8(7) .
O10 Cl11 O12B 99.5(7) .
O12A Cl11 O11A 108.4(9) .
O9 Cl11 O11A 98.6(7) .
O10 Cl11 O11A 99.0(7) .
O12B Cl11 O11A 146.9(9) .
O15 Cl12 O13 108.8(12) .
O15 Cl12 O16 109.0(9) .
O13 Cl12 O16 109.3(9) .
O15 Cl12 O14 107.7(7) .
O13 Cl12 O14 108.4(7) .
O16 Cl12 O14 113.5(9) .
O18 Cl13 O17 108.1(12) .
O18 Cl13 O20 109.0(9) .
O17 Cl13 O20 109.5(9) .
O18 Cl13 O19 108.9(7) .
O17 Cl13 O19 109.0(7) .
O20 Cl13 O19 112.2(9) .
O21 Cl14 O23 114.5(9) .
O21 Cl14 O22 107.1(7) .
O23 Cl14 O22 107.0(7) .
O21 Cl14 O24 109.0(5) .
O23 Cl14 O24 109.1(5) .
O22 Cl14 O24 109.9(5) .
O26 Cl15 O27 110.2(7) .
O26 Cl15 O25 109.9(7) .
O27 Cl15 O25 109.0(5) .
O26 Cl15 O28 109.6(6) .
O27 Cl15 O28 109.0(5) .
O25 Cl15 O28 109.2(5) .
O31B Cl16 O32A 70.0(9) .
O31B Cl16 O30 117.6(7) .
O32A Cl16 O30 117.5(7) .
O31B Cl16 O29 115.8(8) .
O32A Cl16 O29 115.5(8) .
O30 Cl16 O29 113.7(5) .
O31B Cl16 O32B 107.8(9) .
O30 Cl16 O32B 98.9(7) .
O29 Cl16 O32B 99.4(7) .
O32A Cl16 O31A 108.2(9) .
O30 Cl16 O31A 98.9(7) .
O29 Cl16 O31A 99.6(7) .
O32B Cl16 O31A 146.1(9) .
C1 N1 C5 120.0(8) .
C1 N1 Pt1 119.0(6) .
C5 N1 Pt1 120.9(6) .
C6 N2 Pt1 107.6(6) .
C6 N2 H5 110.2 .
Pt1 N2 H5 110.2 .
C6 N2 H6 110.2 .
Pt1 N2 H6 110.2 .
H5 N2 H6 108.5 .
C8 N3 C7 120.2(8) .
C8 N3 Pt1 108.2(6) .
C7 N3 Pt1 108.4(6) .
C8 N3 H11 106.4 .
C7 N3 H11 106.4 .
Pt1 N3 H11 106.4 .
C9 N4 Pt1 108.1(6) .
C9 N4 H16 110.1 .
Pt1 N4 H16 110.1 .
C9 N4 H17 110.1 .
Pt1 N4 H17 110.1 .
H16 N4 H17 108.4 .
N5 N5 C3 113.4(11) 2_666
C14 N6 C10 119.1(8) .
C14 N6 Pt2 121.7(6) .
C10 N6 Pt2 119.1(6) .
C15 N7 Pt2 107.5(6) .
C15 N7 H22 110.2 .
Pt2 N7 H22 110.2 .
C15 N7 H23 110.2 .
Pt2 N7 H23 110.2 .
H22 N7 H23 108.5 .
C17 N8 C16 120.1(8) .
C17 N8 Pt2 108.3(5) .
C16 N8 Pt2 108.5(6) .
C17 N8 H28 106.4 .
C16 N8 H28 106.4 .
Pt2 N8 H28 106.4 .
C18 N9 Pt2 107.9(6) .
C18 N9 H33 110.1 .
Pt2 N9 H33 110.1 .
C18 N9 H34 110.1 .
Pt2 N9 H34 110.1 .
H33 N9 H34 108.4 .
N10 N10 C12 113.1(11) 2_676
C19 N11 C23 119.3(8) .
C19 N11 Pt3 121.0(6) .
C23 N11 Pt3 119.6(7) .
C24 N12 Pt3 108.2(6) .
C24 N12 H39 110.1 .
Pt3 N12 H39 110.1 .
C24 N12 H40 110.1 .
Pt3 N12 H40 110.1 .
H39 N12 H40 108.4 .
C25 N13 C26 120.2(8) .
C25 N13 Pt3 108.4(6) .
C26 N13 Pt3 109.1(6) .
C25 N13 H45 106.1 .
C26 N13 H45 106.1 .
Pt3 N13 H45 106.1 .
C27 N14 Pt3 107.9(6) .
C27 N14 H50 110.1 .
Pt3 N14 H50 110.1 .
C27 N14 H51 110.1 .
Pt3 N14 H51 110.1 .
H50 N14 H51 108.4 .
N15 N15 C21 112.4(11) 2_765
C28 N16 C32 120.2(8) .
C28 N16 Pt4 120.7(6) .
C32 N16 Pt4 119.0(6) .
C33 N17 Pt4 108.1(6) .
C33 N17 H56 110.1 .
Pt4 N17 H56 110.1 .
C33 N17 H57 110.1 .
Pt4 N17 H57 110.1 .
H56 N17 H57 108.4 .
C34 N18 C35 120.5(8) .
C34 N18 Pt4 108.2(6) .
C35 N18 Pt4 109.1(6) .
C34 N18 H62 106.0 .
C35 N18 H62 106.0 .
Pt4 N18 H62 106.0 .
C36 N19 Pt4 107.9(6) .
C36 N19 H67 110.1 .
Pt4 N19 H67 110.1 .
C36 N19 H68 110.1 .
Pt4 N19 H68 110.1 .
H67 N19 H68 108.4 .
N20 N20 C30 113.1(11) 2_775
N1 C1 C2 121.8(10) .
N1 C1 H1 119.1 .
C2 C1 H1 119.1 .
C1 C2 C3 117.5(10) .
C1 C2 H2 121.3 .
C3 C2 H2 121.3 .
C4 C3 C2 121.3(10) .
C4 C3 N5 123.8(10) .
C2 C3 N5 114.8(9) .
C3 C4 C5 117.9(10) .
C3 C4 H3 121.1 .
C5 C4 H3 121.1 .
N1 C5 C4 121.4(9) .
N1 C5 H4 119.3 .
C4 C5 H4 119.3 .
C7 C6 N2 107.8(8) .
C7 C6 H7 110.2 .
N2 C6 H7 110.2 .
C7 C6 H8 110.2 .
N2 C6 H8 110.2 .
H7 C6 H8 108.5 .
N3 C7 C6 106.6(8) .
N3 C7 H9 110.4 .
C6 C7 H9 110.4 .
N3 C7 H10 110.4 .
C6 C7 H10 110.4 .
H9 C7 H10 108.6 .
N3 C8 C9 106.7(8) .
N3 C8 H12 110.4 .
C9 C8 H12 110.4 .
N3 C8 H13 110.4 .
C9 C8 H13 110.4 .
H12 C8 H13 108.6 .
C8 C9 N4 109.3(8) .
C8 C9 H14 109.8 .
N4 C9 H14 109.8 .
C8 C9 H15 109.8 .
N4 C9 H15 109.8 .
H14 C9 H15 108.3 .
N6 C10 C11 122.0(10) .
N6 C10 H18 119.0 .
C11 C10 H18 119.0 .
C10 C11 C12 117.6(10) .
C10 C11 H19 121.2 .
C12 C11 H19 121.2 .
C13 C12 C11 120.8(10) .
C13 C12 N10 124.5(10) .
C11 C12 N10 114.6(9) .
C14 C13 C12 117.7(10) .
C14 C13 H20 121.1 .
C12 C13 H20 121.1 .
N6 C14 C13 122.7(9) .
N6 C14 H21 118.6 .
C13 C14 H21 118.6 .
C16 C15 N7 108.7(8) .
C16 C15 H24 109.9 .
N7 C15 H24 109.9 .
C16 C15 H25 109.9 .
N7 C15 H25 109.9 .
H24 C15 H25 108.3 .
C15 C16 N8 107.0(8) .
C15 C16 H26 110.3 .
N8 C16 H26 110.3 .
C15 C16 H27 110.3 .
N8 C16 H27 110.3 .
H26 C16 H27 108.6 .
N8 C17 C18 106.3(8) .
N8 C17 H29 110.5 .
C18 C17 H29 110.5 .
N8 C17 H30 110.5 .
C18 C17 H30 110.5 .
H29 C17 H30 108.7 .
C17 C18 N9 109.4(8) .
C17 C18 H31 109.8 .
N9 C18 H31 109.8 .
C17 C18 H32 109.8 .
N9 C18 H32 109.8 .
H31 C18 H32 108.2 .
N11 C19 C20 122.0(9) .
N11 C19 H35 119.0 .
C20 C19 H35 119.0 .
C19 C20 C21 118.0(10) .
C19 C20 H36 121.0 .
C21 C20 H36 121.0 .
C20 C21 C22 120.2(10) .
C20 C21 N15 124.5(10) .
C22 C21 N15 115.2(10) .
C23 C22 C21 118.2(11) .
C23 C22 H37 120.9 .
C21 C22 H37 120.9 .
N11 C23 C22 122.2(10) .
N11 C23 H38 118.9 .
C22 C23 H38 118.9 .
C25 C24 N12 109.5(8) .
C25 C24 H41 109.8 .
N12 C24 H41 109.8 .
C25 C24 H42 109.8 .
N12 C24 H42 109.8 .
H41 C24 H42 108.2 .
N13 C25 C24 107.0(8) .
N13 C25 H43 110.3 .
C24 C25 H43 110.3 .
N13 C25 H44 110.3 .
C24 C25 H44 110.3 .
H43 C25 H44 108.6 .
N13 C26 C27 106.4(8) .
N13 C26 H46 110.4 .
C27 C26 H46 110.4 .
N13 C26 H47 110.4 .
C27 C26 H47 110.4 .
H46 C26 H47 108.6 .
N14 C27 C26 108.1(8) .
N14 C27 H48 110.1 .
C26 C27 H48 110.1 .
N14 C27 H49 110.1 .
C26 C27 H49 110.1 .
H48 C27 H49 108.4 .
N16 C28 C29 121.8(9) .
N16 C28 H52 119.1 .
C29 C28 H52 119.1 .
C28 C29 C30 117.9(10) .
C28 C29 H53 121.0 .
C30 C29 H53 121.0 .
C29 C30 C31 120.6(10) .
C29 C30 N20 124.4(10) .
C31 C30 N20 114.9(9) .
C32 C31 C30 117.6(10) .
C32 C31 H54 121.2 .
C30 C31 H54 121.2 .
N16 C32 C31 121.8(10) .
N16 C32 H55 119.1 .
C31 C32 H55 119.1 .
C34 C33 N17 109.5(8) .
C34 C33 H58 109.8 .
N17 C33 H58 109.8 .
C34 C33 H59 109.8 .
N17 C33 H59 109.8 .
H58 C33 H59 108.2 .
N18 C34 C33 107.2(8) .
N18 C34 H60 110.3 .
C33 C34 H60 110.3 .
N18 C34 H61 110.3 .
C33 C34 H61 110.3 .
H60 C34 H61 108.5 .
N18 C35 C36 106.7(8) .
N18 C35 H63 110.4 .
C36 C35 H63 110.4 .
N18 C35 H64 110.4 .
C36 C35 H64 110.4 .
H63 C35 H64 108.6 .
C35 C36 N19 107.7(8) .
C35 C36 H65 110.2 .
N19 C36 H65 110.2 .
C35 C36 H66 110.2 .
N19 C36 H66 110.2 .
H65 C36 H66 108.5 .
O33 C37A C38A 125(2) .
O33 C37A C39A 116.1(17) .
C38A C37A C39A 118.7(19) .
O33 C37B C39B 128.4(17) .
O33 C37B C38B 119.4(19) .
C39B C37B C38B 112.0(18) .
C37B C38B H70B 109.5 .
C37B C38B H71B 109.5 .
H70B C38B H71B 109.5 .
C37B C38B H69B 109.5 .
H70B C38B H69B 109.5 .
H71B C38B H69B 109.5 .
C37B C39B H73B 109.5 .
C37B C39B H74B 109.5 .
H73B C39B H74B 109.5 .
C37B C39B H72B 109.5 .
H73B C39B H72B 109.5 .
H74B C39B H72B 109.5 .
O34 C40B C41B 119(2) .
O34 C40B C42B 125(2) .
C41B C40B C42B 115(2) .
C40B C41B H77B 109.5 .
C40B C41B H75B 109.5 .
H77B C41B H75B 109.5 .
C40B C41B H76B 109.5 .
H77B C41B H76B 109.5 .
H75B C41B H76B 109.5 .
C40B C42B H79B 109.5 .
C40B C42B H80B 109.5 .
H79B C42B H80B 109.5 .
C40B C42B H78B 109.5 .
H79B C42B H78B 109.5 .
H80B C42B H78B 109.5 .
O34 C40A C41A 126(2) .
O34 C40A C42A 118.3(19) .
C41A C40A C42A 115(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N3 2.026(7) .
Pt1 N4 2.044(8) .
Pt1 N2 2.050(8) .
Pt1 N1 2.056(7) .
Pt1 Cl1 2.274(5) .
Pt1 Cl2 2.362(6) .
Pt2 N8 2.025(7) .
Pt2 N9 2.048(8) .
Pt2 N7 2.049(8) .
Pt2 N6 2.053(7) .
Pt2 Cl3 2.272(5) .
Pt2 Cl4 2.367(6) .
Pt3 N13 2.022(7) .
Pt3 N14 2.046(8) .
Pt3 N11 2.052(7) .
Pt3 N12 2.053(8) .
Pt3 Cl5 2.278(5) .
Pt3 Cl6 2.376(6) .
Pt4 N18 2.023(7) .
Pt4 N19 2.049(8) .
Pt4 N17 2.052(8) .
Pt4 N16 2.060(7) .
Pt4 Cl8 2.279(5) .
Pt4 Cl7 2.369(6) .
Cl1 Cl3 0.956(6) .
Cl2 Cl4 0.736(5) 1_545
Cl4 Cl2 0.736(5) 1_565
Cl5 Cl8 0.945(6) 1_545
Cl6 Cl7 0.720(5) .
Cl8 Cl5 0.945(6) 1_565
Cl9 O1 1.414(10) .
Cl9 O3 1.444(9) .
Cl9 O4 1.449(7) .
Cl9 O2 1.449(9) .
Cl10 O8 1.410(10) .
Cl10 O7 1.411(10) .
Cl10 O5 1.449(9) .
Cl10 O6 1.465(7) .
Cl11 O11B 1.405(15) .
Cl11 O12A 1.409(15) .
Cl11 O9 1.411(8) .
Cl11 O10 1.447(8) .
Cl11 O12B 1.496(15) .
Cl11 O11A 1.501(15) .
Cl12 O15 1.378(11) .
Cl12 O13 1.378(10) .
Cl12 O16 1.401(11) .
Cl12 O14 1.449(10) .
Cl13 O18 1.370(11) .
Cl13 O17 1.374(11) .
Cl13 O20 1.409(10) .
Cl13 O19 1.447(10) .
Cl14 O21 1.403(10) .
Cl14 O23 1.404(10) .
Cl14 O22 1.440(9) .
Cl14 O24 1.464(7) .
Cl15 O26 1.418(11) .
Cl15 O27 1.445(9) .
Cl15 O25 1.447(9) .
Cl15 O28 1.452(7) .
Cl16 O31B 1.404(16) .
Cl16 O32A 1.405(16) .
Cl16 O30 1.418(8) .
Cl16 O29 1.439(8) .
Cl16 O32B 1.499(15) .
Cl16 O31A 1.503(15) .
O33 C37B 1.15(2) .
O33 C37A 1.26(2) .
O34 C40B 1.22(3) .
O34 C40A 1.23(3) .
N1 C1 1.342(12) .
N1 C5 1.345(12) .
N2 C6 1.520(12) .
N2 H5 0.9200 .
N2 H6 0.9200 .
N3 C8 1.476(12) .
N3 C7 1.493(12) .
N3 H11 0.9300 .
N4 C9 1.523(12) .
N4 H16 0.9200 .
N4 H17 0.9200 .
N5 N5 1.252(19) 2_666
N5 C3 1.453(13) .
N6 C14 1.335(12) .
N6 C10 1.343(12) .
N7 C15 1.520(12) .
N7 H22 0.9200 .
N7 H23 0.9200 .
N8 C17 1.474(12) .
N8 C16 1.495(12) .
N8 H28 0.9300 .
N9 C18 1.518(12) .
N9 H33 0.9200 .
N9 H34 0.9200 .
N10 N10 1.258(19) 2_676
N10 C12 1.456(13) .
N11 C19 1.332(12) .
N11 C23 1.351(12) .
N12 C24 1.514(13) .
N12 H39 0.9200 .
N12 H40 0.9200 .
N13 C25 1.472(11) .
N13 C26 1.487(12) .
N13 H45 0.9300 .
N14 C27 1.511(12) .
N14 H50 0.9200 .
N14 H51 0.9200 .
N15 N15 1.262(19) 2_765
N15 C21 1.456(13) .
N16 C28 1.331(12) .
N16 C32 1.336(12) .
N17 C33 1.513(12) .
N17 H56 0.9200 .
N17 H57 0.9200 .
N18 C34 1.474(12) .
N18 C35 1.481(12) .
N18 H62 0.9300 .
N19 C36 1.516(13) .
N19 H67 0.9200 .
N19 H68 0.9200 .
N20 N20 1.257(19) 2_775
N20 C30 1.451(13) .
C1 C2 1.381(14) .
C1 H1 0.9500 .
C2 C3 1.387(16) .
C2 H2 0.9500 .
C3 C4 1.377(15) .
C4 C5 1.383(13) .
C4 H3 0.9500 .
C5 H4 0.9500 .
C6 C7 1.503(16) .
C6 H7 0.9900 .
C6 H8 0.9900 .
C7 H9 0.9900 .
C7 H10 0.9900 .
C8 C9 1.506(14) .
C8 H12 0.9900 .
C8 H13 0.9900 .
C9 H14 0.9900 .
C9 H15 0.9900 .
C10 C11 1.374(14) .
C10 H18 0.9500 .
C11 C12 1.390(16) .
C11 H19 0.9500 .
C12 C13 1.372(15) .
C13 C14 1.368(13) .
C13 H20 0.9500 .
C14 H21 0.9500 .
C15 C16 1.489(15) .
C15 H24 0.9900 .
C15 H25 0.9900 .
C16 H26 0.9900 .
C16 H27 0.9900 .
C17 C18 1.509(14) .
C17 H29 0.9900 .
C17 H30 0.9900 .
C18 H31 0.9900 .
C18 H32 0.9900 .
C19 C20 1.379(13) .
C19 H35 0.9500 .
C20 C21 1.385(15) .
C20 H36 0.9500 .
C21 C22 1.385(16) .
C22 C23 1.363(15) .
C22 H37 0.9500 .
C23 H38 0.9500 .
C24 C25 1.499(14) .
C24 H41 0.9900 .
C24 H42 0.9900 .
C25 H43 0.9900 .
C25 H44 0.9900 .
C26 C27 1.514(15) .
C26 H46 0.9900 .
C26 H47 0.9900 .
C27 H48 0.9900 .
C27 H49 0.9900 .
C28 C29 1.379(13) .
C28 H52 0.9500 .
C29 C30 1.382(15) .
C29 H53 0.9500 .
C30 C31 1.386(16) .
C31 C32 1.382(14) .
C31 H54 0.9500 .
C32 H55 0.9500 .
C33 C34 1.501(14) .
C33 H58 0.9900 .
C33 H59 0.9900 .
C34 H60 0.9900 .
C34 H61 0.9900 .
C35 C36 1.511(15) .
C35 H63 0.9900 .
C35 H64 0.9900 .
C36 H65 0.9900 .
C36 H66 0.9900 .
C37A C38A 1.47(3) .
C37A C39A 1.49(3) .
C37B C39B 1.54(3) .
C37B C38B 1.54(2) .
C38A H69A 0.9800 .
C38A H70A 0.9800 .
C38A H71A 0.9800 .
C38B H70B 0.9800 .
C38B H71B 0.9800 .
C38B H69B 0.9800 .
C39A H72A 0.9800 .
C39A H73A 0.9800 .
C39A H74A 0.9800 .
C39B H73B 0.9800 .
C39B H74B 0.9800 .
C39B H72B 0.9800 .
C40B C41B 1.48(3) .
C40B C42B 1.51(3) .
C41A C40A 1.48(3) .
C41A H75A 0.9800 .
C41A H76A 0.9800 .
C41A H77A 0.9800 .
C41B H77B 0.9800 .
C41B H75B 0.9800 .
C41B H76B 0.9800 .
C42A C40A 1.50(3) .
C42A H80A 0.9800 .
C42A H78A 0.9800 .
C42A H79A 0.9800 .
C42B H79B 0.9800 .
C42B H80B 0.9800 .
C42B H78B 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N4 Pt1 N1 C1 48.5(7) .
N2 Pt1 N1 C1 -137.0(7) .
Cl1 Pt1 N1 C1 -48.2(7) .
Cl2 Pt1 N1 C1 134.1(7) .
N4 Pt1 N1 C5 -132.7(7) .
N2 Pt1 N1 C5 41.8(7) .
Cl1 Pt1 N1 C5 130.7(7) .
Cl2 Pt1 N1 C5 -47.1(7) .
N3 Pt1 N2 C6 -11.0(7) .
N4 Pt1 N2 C6 -39.9(18) .
N1 Pt1 N2 C6 165.6(7) .
Cl1 Pt1 N2 C6 76.3(7) .
Cl2 Pt1 N2 C6 -103.9(7) .
N4 Pt1 N3 C8 23.3(6) .
N2 Pt1 N3 C8 -150.5(7) .
Cl1 Pt1 N3 C8 120.3(6) .
Cl2 Pt1 N3 C8 -61.9(6) .
N4 Pt1 N3 C7 155.2(7) .
N2 Pt1 N3 C7 -18.6(7) .
Cl1 Pt1 N3 C7 -107.8(6) .
Cl2 Pt1 N3 C7 70.0(6) .
N3 Pt1 N4 C9 4.9(7) .
N2 Pt1 N4 C9 33.8(18) .
N1 Pt1 N4 C9 -171.8(7) .
Cl1 Pt1 N4 C9 -81.6(7) .
Cl2 Pt1 N4 C9 98.1(7) .
N9 Pt2 N6 C14 133.3(7) .
N7 Pt2 N6 C14 -41.2(7) .
Cl3 Pt2 N6 C14 -130.0(7) .
Cl4 Pt2 N6 C14 47.8(7) .
N9 Pt2 N6 C10 -49.8(7) .
N7 Pt2 N6 C10 135.7(7) .
Cl3 Pt2 N6 C10 46.9(7) .
Cl4 Pt2 N6 C10 -135.3(7) .
N8 Pt2 N7 C15 10.3(7) .
N9 Pt2 N7 C15 39.0(18) .
N6 Pt2 N7 C15 -166.4(7) .
Cl3 Pt2 N7 C15 -76.9(7) .
Cl4 Pt2 N7 C15 103.2(7) .
N9 Pt2 N8 C17 -23.7(6) .
N7 Pt2 N8 C17 150.2(7) .
Cl3 Pt2 N8 C17 -120.7(6) .
Cl4 Pt2 N8 C17 61.5(6) .
N9 Pt2 N8 C16 -155.6(7) .
N7 Pt2 N8 C16 18.3(6) .
Cl3 Pt2 N8 C16 107.4(6) .
Cl4 Pt2 N8 C16 -70.4(6) .
N8 Pt2 N9 C18 -4.8(7) .
N7 Pt2 N9 C18 -33.6(18) .
N6 Pt2 N9 C18 171.9(6) .
Cl3 Pt2 N9 C18 81.5(6) .
Cl4 Pt2 N9 C18 -98.1(6) .
N14 Pt3 N11 C19 41.4(7) .
N12 Pt3 N11 C19 -133.5(7) .
Cl5 Pt3 N11 C19 130.0(7) .
Cl6 Pt3 N11 C19 -47.7(7) .
N14 Pt3 N11 C23 -135.3(7) .
N12 Pt3 N11 C23 49.8(7) .
Cl5 Pt3 N11 C23 -46.7(7) .
Cl6 Pt3 N11 C23 135.6(7) .
N13 Pt3 N12 C24 4.4(7) .
N14 Pt3 N12 C24 31.1(18) .
N11 Pt3 N12 C24 -172.4(6) .
Cl5 Pt3 N12 C24 -82.1(7) .
Cl6 Pt3 N12 C24 97.6(6) .
N14 Pt3 N13 C25 -150.7(7) .
N12 Pt3 N13 C25 23.4(6) .
Cl5 Pt3 N13 C25 120.3(6) .
Cl6 Pt3 N13 C25 -62.0(6) .
N14 Pt3 N13 C26 -18.2(6) .
N12 Pt3 N13 C26 156.0(7) .
Cl5 Pt3 N13 C26 -107.1(6) .
Cl6 Pt3 N13 C26 70.5(6) .
N13 Pt3 N14 C27 -11.1(7) .
N11 Pt3 N14 C27 165.6(7) .
N12 Pt3 N14 C27 -37.8(18) .
Cl5 Pt3 N14 C27 76.2(7) .
Cl6 Pt3 N14 C27 -104.0(7) .
N19 Pt4 N16 C28 -41.4(7) .
N17 Pt4 N16 C28 133.2(7) .
Cl8 Pt4 N16 C28 -130.2(7) .
Cl7 Pt4 N16 C28 47.5(7) .
N19 Pt4 N16 C32 136.2(7) .
N17 Pt4 N16 C32 -49.2(7) .
Cl8 Pt4 N16 C32 47.4(7) .
Cl7 Pt4 N16 C32 -134.9(7) .
N18 Pt4 N17 C33 -4.7(7) .
N19 Pt4 N17 C33 -32.1(18) .
N16 Pt4 N17 C33 172.1(6) .
Cl8 Pt4 N17 C33 81.9(7) .
Cl7 Pt4 N17 C33 -97.9(6) .
N19 Pt4 N18 C34 151.0(7) .
N17 Pt4 N18 C34 -23.0(6) .
Cl8 Pt4 N18 C34 -119.9(6) .
Cl7 Pt4 N18 C34 62.4(6) .
N19 Pt4 N18 C35 18.2(6) .
N17 Pt4 N18 C35 -155.8(7) .
Cl8 Pt4 N18 C35 107.2(6) .
Cl7 Pt4 N18 C35 -70.4(6) .
N18 Pt4 N19 C36 11.3(7) .
N17 Pt4 N19 C36 38.8(18) .
N16 Pt4 N19 C36 -165.4(7) .
Cl8 Pt4 N19 C36 -76.1(7) .
Cl7 Pt4 N19 C36 104.2(7) .
C5 N1 C1 C2 -3.2(14) .
Pt1 N1 C1 C2 175.6(7) .
N1 C1 C2 C3 1.6(15) .
C1 C2 C3 C4 -0.6(15) .
C1 C2 C3 N5 -178.5(9) .
N5 N5 C3 C4 -1.8(17) 2_666
N5 N5 C3 C2 176.1(11) 2_666
C2 C3 C4 C5 1.1(15) .
N5 C3 C4 C5 178.9(9) .
C1 N1 C5 C4 3.8(14) .
Pt1 N1 C5 C4 -175.1(7) .
C3 C4 C5 N1 -2.7(15) .
Pt1 N2 C6 C7 38.5(10) .
C8 N3 C7 C6 169.8(8) .
Pt1 N3 C7 C6 44.7(9) .
N2 C6 C7 N3 -55.0(11) .
C7 N3 C8 C9 -171.8(9) .
Pt1 N3 C8 C9 -46.6(9) .
N3 C8 C9 N4 52.0(11) .
Pt1 N4 C9 C8 -31.9(10) .
C14 N6 C10 C11 0.7(14) .
Pt2 N6 C10 C11 -176.3(7) .
N6 C10 C11 C12 0.6(14) .
C10 C11 C12 C13 -0.8(15) .
C10 C11 C12 N10 177.4(9) .
N10 N10 C12 C13 1.0(16) 2_676
N10 N10 C12 C11 -177.1(11) 2_676
C11 C12 C13 C14 -0.3(15) .
N10 C12 C13 C14 -178.3(9) .
C10 N6 C14 C13 -1.9(14) .
Pt2 N6 C14 C13 175.0(8) .
C12 C13 C14 N6 1.7(15) .
Pt2 N7 C15 C16 -37.5(10) .
N7 C15 C16 N8 53.7(11) .
C17 N8 C16 C15 -169.0(8) .
Pt2 N8 C16 C15 -43.7(9) .
C16 N8 C17 C18 172.2(8) .
Pt2 N8 C17 C18 46.9(8) .
N8 C17 C18 N9 -52.3(10) .
Pt2 N9 C18 C17 32.1(10) .
C23 N11 C19 C20 1.9(14) .
Pt3 N11 C19 C20 -174.8(7) .
N11 C19 C20 C21 -2.1(15) .
C19 C20 C21 C22 0.0(15) .
C19 C20 C21 N15 178.5(9) .
N15 N15 C21 C20 -0.2(16) 2_765
N15 N15 C21 C22 178.4(10) 2_765
C20 C21 C22 C23 2.1(14) .
N15 C21 C22 C23 -176.5(9) .
C19 N11 C23 C22 0.3(14) .
Pt3 N11 C23 C22 177.1(7) .
C21 C22 C23 N11 -2.3(15) .
Pt3 N12 C24 C25 -31.3(10) .
C26 N13 C25 C24 -172.9(8) .
Pt3 N13 C25 C24 -46.5(9) .
N12 C24 C25 N13 51.5(11) .
C25 N13 C26 C27 169.5(8) .
Pt3 N13 C26 C27 43.5(9) .
Pt3 N14 C27 C26 38.0(10) .
N13 C26 C27 N14 -53.8(11) .
C32 N16 C28 C29 -2.9(14) .
Pt4 N16 C28 C29 174.7(7) .
N16 C28 C29 C30 2.5(15) .
C28 C29 C30 C31 -0.7(15) .
C28 C29 C30 N20 -178.6(9) .
N20 N20 C30 C29 0.3(16) 2_775
N20 N20 C30 C31 -177.8(11) 2_775
C29 C30 C31 C32 -0.6(15) .
N20 C30 C31 C32 177.5(9) .
C28 N16 C32 C31 1.5(14) .
Pt4 N16 C32 C31 -176.1(7) .
C30 C31 C32 N16 0.2(15) .
Pt4 N17 C33 C34 31.3(10) .
C35 N18 C34 C33 172.5(8) .
Pt4 N18 C34 C33 46.1(9) .
N17 C33 C34 N18 -51.3(11) .
C34 N18 C35 C36 -169.9(8) .
Pt4 N18 C35 C36 -43.9(9) .
N18 C35 C36 N19 54.1(11) .
Pt4 N19 C36 C35 -38.2(10) .
C37B O33 C37A C38A 169(7) .
C37B O33 C37A C39A -13(3) .
C37A O33 C37B C39B -176(7) .
C37A O33 C37B C38B 10(3) .
C40A O34 C40B C41B -13(5) .
C40A O34 C40B C42B 170(10) .
C40B O34 C40A C41A -175(11) .
C40B O34 C40A C42A 10(5) .
