#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/68/4116813.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_4116813
loop_
_publ_author_name
'Ken Sakai'
'Yuko Tanaka'
'Yuriko Tsuchiya'
'Kentaro Hirata'
'Taro Tsubomura'
'Seiichiro Iijima'
'Ashis Bhattacharjee'
_publ_contact_author
;
    Dr Ken Sakai
    Department of Industrial Chemistry
    Faculty of Engineering
    Seikei University
    Kichijoji-Kitamachi
    Musashino, Tokyo 180
    Japan
;
_publ_contact_author_email       ksakai@ch.seikei.ac.jp
_publ_contact_author_fax         '+81 422 37 3871'
_publ_contact_author_phone       '+81 422 37 3759'
_publ_section_title
;
 New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged,
 Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum
 Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of
 Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged
 [Pt(2.5+)4-Cl...]∞ System, and Consideration of Solution Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8366
_journal_page_last               8379
_journal_paper_doi               10.1021/ja980019q
_journal_volume                  120
_journal_year                    1998
_chemical_formula_moiety         'C16 Cl H48 N12 O4 Pt4, Cl2, (Cl O4)3'
_chemical_formula_sum            'C16 H48 Cl6 N12 O16 Pt4'
_chemical_formula_weight         1657.704
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             1997-10-28
_audit_creation_method           'teXsan (modified by Ken Sakai)'
_audit_update_record
;
1997-10-28    text and data added by Ken Sakai
;
_cell_angle_alpha                90
_cell_angle_beta                 95.23(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   9.999(5)
_cell_length_b                   26.98(1)
_cell_length_c                   17.427(4)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      17.65
_cell_measurement_theta_min      7.21
_cell_volume                     4682(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      296.0
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       θ/2θ
_diffrn_orient_matrix_UB_11      -0.08344
_diffrn_orient_matrix_UB_12      0.00894
_diffrn_orient_matrix_UB_13      0.02438
_diffrn_orient_matrix_UB_21      -0.02184
_diffrn_orient_matrix_UB_22      -0.03596
_diffrn_orient_matrix_UB_23      0.00506
_diffrn_orient_matrix_UB_31      0.05144
_diffrn_orient_matrix_UB_32      -0.00073
_diffrn_orient_matrix_UB_33      0.05196
_diffrn_radiation_detector       'scintillation,NaI,Rigaku SC-30'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_sigmaI/netI    0.3333
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7358
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        -6.21
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.323
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9031
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.3518
_exptl_crystal_description       'thin plate-needle'
_exptl_crystal_F_000             3080.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.53
_refine_diff_density_min         -2.66
_refine_ls_abs_structure_details
;
none
;
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     noref
_refine_ls_goodness_of_fit_obs   1.530
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3045
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2704
_refine_ls_R_factor_obs          0.1019
_refine_ls_shift/esd_max         0.5980
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma_w=1/\s^2^(F)+0.000400F^2^
_refine_ls_wR_factor_all         0.1269
_refine_ls_wR_factor_obs         0.0950
_reflns_number_observed          3045
_reflns_number_total             7339
_reflns_observed_criterion       I_>_2.0_sigma(I)
_cod_data_source_file            ja980019q_5.cif
_cod_data_source_block           complex9
_cod_original_formula_sum        'C16 Cl6 H48 N12 O16 Pt4'
_cod_database_code               4116813
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2-x,1/2+y,1/2-z
'   -x,   -y,   -z'
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
Pt(1) 0.2442(3) 0.40810(9) 0.6931(1) 0.0322(8) Uani d . 1.0
Pt(2) 0.2678(3) 0.3096(1) 0.7188(2) 0.0348(9) Uani d . 1.0
Pt(3) 0.3039(3) 0.2140(1) 0.7663(1) 0.0335(8) Uani d . 1.0
Pt(4) 0.3001(3) 0.11172(10) 0.7909(1) 0.0320(8) Uani d . 1.0
Cl(1) 0.225(2) 0.5003(8) 0.6849(9) 0.064(7) Uani d . 1.0
Cl(2) 0.756(3) 0.331(1) 0.671(2) 0.13(1) Uiso d . 1.0
Cl(3) 0.148(2) 0.3134(9) 0.459(1) 0.082(7) Uiso d . 1.0
Cl(4) 0.276(3) 0.000(1) 0.077(2) 0.13(1) Uiso d . 1.0
Cl(5A) 0.858(6) 0.070(2) 0.534(4) 0.23(1) Uiso d . 0.67(3)
Cl(5B) 0.59(1) 0.291(4) 0.470(6) 0.202(7) Uiso d . 0.33(3)
Cl(6A) 0.600(7) 0.208(3) 0.596(4) 0.15(1) Uiso d . 0.44(3)
Cl(6B) 0.875(9) 0.172(4) 0.552(5) 0.302(7) Uiso d . 0.56(3)
O(1) 0.427(4) 0.327(2) 0.784(2) 0.05(1) Uiso d . 1.0
O(2) 0.160(4) 0.320(2) 0.808(2) 0.04(1) Uiso d . 1.0
O(3) 0.101(4) 0.211(2) 0.762(2) 0.03(1) Uiso d . 1.0
O(4) 0.290(4) 0.196(2) 0.653(2) 0.04(1) Uiso d . 1.0
O(5) 0.643(7) 0.354(3) 0.661(4) 0.14(1) Uiso d . 1.0
O(6) 0.735(10) 0.286(4) 0.705(5) 0.219(9) Uiso d . 1.0
O(7) 0.795(7) 0.317(3) 0.594(4) 0.14(1) Uiso d . 1.0
O(8) 0.852(7) 0.364(3) 0.722(4) 0.16(1) Uiso d . 1.0
O(9) 0.280(8) 0.343(3) 0.498(4) 0.17(1) Uiso d . 1.0
O(10) 0.005(8) 0.330(3) 0.487(4) 0.16(1) Uiso d . 1.0
O(11) 0.139(8) 0.262(3) 0.480(5) 0.193(10) Uiso d . 1.0
O(12) 0.119(6) 0.333(2) 0.376(3) 0.11(1) Uiso d . 1.0
O(13) 0.346(8) 0.000(3) 0.147(4) 0.18(1) Uiso d . 1.0
O(14) 0.14(1) -0.008(6) 0.071(6) 0.338(6) Uiso d . 1.0
O(15) 0.36(1) 0.025(6) 0.027(9) 0.404(4) Uiso d . 1.0
O(16) 0.307(8) -0.048(3) 0.042(4) 0.15(1) Uiso d . 1.0
N(1) 0.135(6) 0.402(2) 0.783(3) 0.06(1) Uiso d . 1.0
N(2) 0.407(5) 0.408(2) 0.760(3) 0.04(1) Uiso d . 1.0
N(3) 0.107(6) 0.128(2) 0.794(3) 0.07(1) Uiso d . 1.0
N(4) 0.282(5) 0.113(2) 0.671(3) 0.05(1) Uiso d . 1.0
N(5) 0.088(6) 0.408(2) 0.617(3) 0.08(1) Uiso d . 1.0
N(6) 0.363(6) 0.415(2) 0.600(3) 0.07(1) Uiso d . 1.0
N(7) 0.093(6) 0.286(2) 0.655(3) 0.07(1) Uiso d . 1.0
N(8) 0.376(5) 0.295(2) 0.630(3) 0.05(1) Uiso d . 1.0
N(9) 0.305(6) 0.233(2) 0.882(3) 0.07(1) Uiso d . 1.0
N(10) 0.504(6) 0.223(2) 0.761(3) 0.07(1) Uiso d . 1.0
N(11) 0.325(6) 0.106(2) 0.908(3) 0.07(1) Uiso d . 1.0
N(12) 0.505(6) 0.095(2) 0.787(3) 0.07(1) Uiso d . 1.0
C(1) 0.121(9) 0.364(4) 0.817(5) 0.09(1) Uiso d . 1.0
C(2) 0.036(7) 0.372(3) 0.886(4) 0.06(1) Uiso d . 1.0
C(3) -0.005(8) 0.428(3) 0.877(4) 0.07(1) Uiso d . 1.0
C(4) 0.08(1) 0.443(4) 0.799(6) 0.140(8) Uiso d . 1.0
C(5) 0.468(7) 0.371(3) 0.804(4) 0.06(1) Uiso d . 1.0
C(6) 0.595(8) 0.385(3) 0.849(4) 0.08(1) Uiso d . 1.0
C(7) 0.615(9) 0.440(3) 0.830(5) 0.09(1) Uiso d . 1.0
C(8) 0.468(8) 0.455(3) 0.786(4) 0.07(1) Uiso d . 1.0
C(9) 0.05(1) 0.170(4) 0.777(6) 0.113(10) Uiso d . 1.0
C(10) -0.098(7) 0.162(3) 0.768(4) 0.05(1) Uiso d . 1.0
C(11) -0.13(1) 0.107(4) 0.800(6) 0.131(9) Uiso d . 1.0
C(12) 0.010(9) 0.086(3) 0.795(4) 0.08(1) Uiso d . 1.0
C(13) 0.278(7) 0.156(3) 0.639(4) 0.04(1) Uiso d . 1.0
C(14) 0.273(7) 0.131(3) 0.550(4) 0.07(1) Uiso d . 1.0
C(15) 0.22(1) 0.079(4) 0.546(6) 0.136(9) Uiso d . 1.0
C(16) 0.269(9) 0.064(3) 0.636(5) 0.08(1) Uiso d . 1.0
H(1) -0.0402 0.3510 0.8825 0.0626 Uiso calc C(2) 1.0
H(2) 0.0883 0.3664 0.9336 0.0626 Uiso calc C(2) 1.0
H(3) -0.0999 0.4320 0.8670 0.0531 Uiso calc C(3) 1.0
H(4) 0.0255 0.4471 0.9208 0.0531 Uiso calc C(3) 1.0
H(5) 0.1390 0.4689 0.8116 0.1506 Uiso calc C(4) 1.0
H(6) 0.0138 0.4534 0.7577 0.1506 Uiso calc C(4) 1.0
H(7) 0.5875 0.3809 0.9029 0.0622 Uiso calc C(6) 1.0
H(8) 0.6673 0.3658 0.8343 0.0622 Uiso calc C(6) 1.0
H(9) 0.6342 0.4592 0.8757 0.0782 Uiso calc C(7) 1.0
H(10) 0.6846 0.4443 0.7973 0.0782 Uiso calc C(7) 1.0
H(11) 0.4791 0.4758 0.7438 0.0877 Uiso calc C(8) 1.0
H(12) 0.4144 0.4708 0.8210 0.0877 Uiso calc C(8) 1.0
H(13) -0.1405 0.1866 0.7971 0.0684 Uiso calc C(10) 1.0
H(14) -0.1300 0.1647 0.7155 0.0684 Uiso calc C(10) 1.0
H(15) -0.1552 0.1079 0.8517 0.1596 Uiso calc C(11) 1.0
H(16) -0.1973 0.0905 0.7682 0.1596 Uiso calc C(11) 1.0
H(17) 0.0116 0.0666 0.7493 0.0664 Uiso calc C(12) 1.0
H(18) 0.0343 0.0652 0.8386 0.0664 Uiso calc C(12) 1.0
H(19) 0.2168 0.1514 0.5164 0.0600 Uiso calc C(14) 1.0
H(20) 0.3615 0.1313 0.5347 0.0600 Uiso calc C(14) 1.0
H(21) 0.1249 0.0772 0.5347 0.1114 Uiso calc C(15) 1.0
H(22) 0.2612 0.0589 0.5095 0.1114 Uiso calc C(15) 1.0
H(23) 0.3523 0.0467 0.6404 0.0732 Uiso calc C(16) 1.0
H(24) 0.2035 0.0444 0.6589 0.0732 Uiso calc C(16) 1.0
H(25) 0.0385 0.4340 0.6234 0.0695 Uiso calc N(5) 1.0
H(26) 0.1143 0.4085 0.5707 0.0695 Uiso calc N(5) 1.0
H(27) 0.0404 0.3813 0.6224 0.0695 Uiso calc N(5) 1.0
H(28) 0.4159 0.3896 0.5988 0.0589 Uiso calc N(6) 1.0
H(29) 0.3116 0.4170 0.5572 0.0589 Uiso calc N(6) 1.0
H(30) 0.4114 0.4420 0.6059 0.0589 Uiso calc N(6) 1.0
H(31) 0.0342 0.3099 0.6533 0.0792 Uiso calc N(7) 1.0
H(32) 0.1114 0.2786 0.6088 0.0792 Uiso calc N(7) 1.0
H(33) 0.0618 0.2603 0.6772 0.0792 Uiso calc N(7) 1.0
H(34) 0.4315 0.2707 0.6428 0.0366 Uiso calc N(8) 1.0
H(35) 0.3220 0.2859 0.5904 0.0366 Uiso calc N(8) 1.0
H(36) 0.4203 0.3209 0.6189 0.0366 Uiso calc N(8) 1.0
H(37) 0.3875 0.2379 0.9012 0.0621 Uiso calc N(9) 1.0
H(38) 0.2595 0.2605 0.8859 0.0621 Uiso calc N(9) 1.0
H(39) 0.2688 0.2096 0.9067 0.0621 Uiso calc N(9) 1.0
H(40) 0.5393 0.1956 0.7473 0.0417 Uiso calc N(10) 1.0
H(41) 0.5170 0.2461 0.7266 0.0417 Uiso calc N(10) 1.0
H(42) 0.5409 0.2326 0.8054 0.0417 Uiso calc N(10) 1.0
H(43) 0.2704 0.0836 0.9228 0.0741 Uiso calc N(11) 1.0
H(44) 0.4074 0.0975 0.9220 0.0741 Uiso calc N(11) 1.0
H(45) 0.3077 0.1344 0.9282 0.0741 Uiso calc N(11) 1.0
H(46) 0.5131 0.0674 0.7625 0.0577 Uiso calc N(12) 1.0
H(47) 0.5432 0.1188 0.7627 0.0577 Uiso calc N(12) 1.0
H(48) 0.5434 0.0927 0.8335 0.1232 Uiso calc N(12) 1.0
H(49) 0.2857 0.0609 0.5105 0.1003 Uiso calc C(15) 1.0
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt 0 16 -1.703 8.390
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
Cl 0 24 0.148 0.159
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
O 0 96 0.011 0.006
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
N 0 48 0.006 0.003
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
C 0 64 0.003 0.002
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
H 0 192 0.000 0.000
;
'International Tables for X-ray Crystallography (1974, Vol. IV)'
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 0 3
-1 0 3
0 0 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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt(2) Pt(1) Cl(1) 173.8(4) 1_555 1_555 1_555 yes
Pt(2) Pt(1) N(1) 80(1) 1_555 1_555 1_555 yes
Pt(2) Pt(1) N(2) 80(1) 1_555 1_555 1_555 yes
Pt(2) Pt(1) N(5) 99(1) 1_555 1_555 1_555 yes
Pt(2) Pt(1) N(6) 99(1) 1_555 1_555 1_555 yes
Cl(1) Pt(1) N(1) 94(1) 1_555 1_555 1_555 yes
Cl(1) Pt(1) N(2) 95(1) 1_555 1_555 1_555 yes
Cl(1) Pt(1) N(5) 84(1) 1_555 1_555 1_555 yes
Cl(1) Pt(1) N(6) 84(1) 1_555 1_555 1_555 yes
N(1) Pt(1) N(2) 90(2) 1_555 1_555 1_555 yes
N(1) Pt(1) N(5) 94(2) 1_555 1_555 1_555 yes
N(1) Pt(1) N(6) 178(2) 1_555 1_555 1_555 yes
N(2) Pt(1) N(5) 174(2) 1_555 1_555 1_555 yes
N(2) Pt(1) N(6) 87(2) 1_555 1_555 1_555 yes
N(5) Pt(1) N(6) 87(2) 1_555 1_555 1_555 yes
Pt(1) Pt(2) Pt(3) 171.6(1) 1_555 1_555 1_555 yes
Pt(1) Pt(2) O(1) 85(1) 1_555 1_555 1_555 yes
Pt(1) Pt(2) O(2) 86(1) 1_555 1_555 1_555 yes
Pt(1) Pt(2) N(7) 98(1) 1_555 1_555 1_555 yes
Pt(1) Pt(2) N(8) 96(1) 1_555 1_555 1_555 yes
Pt(3) Pt(2) O(1) 88(1) 1_555 1_555 1_555 yes
Pt(3) Pt(2) O(2) 87(1) 1_555 1_555 1_555 yes
Pt(3) Pt(2) N(7) 87(1) 1_555 1_555 1_555 yes
Pt(3) Pt(2) N(8) 88(1) 1_555 1_555 1_555 yes
O(1) Pt(2) O(2) 89(1) 1_555 1_555 1_555 yes
O(1) Pt(2) N(7) 175(2) 1_555 1_555 1_555 yes
O(1) Pt(2) N(8) 91(1) 1_555 1_555 1_555 yes
O(2) Pt(2) N(7) 88(1) 1_555 1_555 1_555 yes
O(2) Pt(2) N(8) 176(1) 1_555 1_555 1_555 yes
N(7) Pt(2) N(8) 90(2) 1_555 1_555 1_555 yes
Pt(2) Pt(3) Pt(4) 168.3(1) 1_555 1_555 1_555 yes
Pt(2) Pt(3) O(3) 85(1) 1_555 1_555 1_555 yes
Pt(2) Pt(3) O(4) 86(1) 1_555 1_555 1_555 yes
Pt(2) Pt(3) N(9) 92(1) 1_555 1_555 1_555 yes
Pt(2) Pt(3) N(10) 88(1) 1_555 1_555 1_555 yes
Pt(4) Pt(3) O(3) 86(1) 1_555 1_555 1_555 yes
Pt(4) Pt(3) O(4) 84(1) 1_555 1_555 1_555 yes
Pt(4) Pt(3) N(9) 95(1) 1_555 1_555 1_555 yes
Pt(4) Pt(3) N(10) 99(1) 1_555 1_555 1_555 yes
O(3) Pt(3) O(4) 88(1) 1_555 1_555 1_555 yes
O(3) Pt(3) N(9) 87(1) 1_555 1_555 1_555 yes
O(3) Pt(3) N(10) 173(1) 1_555 1_555 1_555 yes
O(4) Pt(3) N(9) 176(2) 1_555 1_555 1_555 yes
O(4) Pt(3) N(10) 87(1) 1_555 1_555 1_555 yes
N(9) Pt(3) N(10) 95(2) 1_555 1_555 1_555 yes
Pt(3) Pt(4) N(3) 79(1) 1_555 1_555 1_555 yes
Pt(3) Pt(4) N(4) 79(1) 1_555 1_555 1_555 yes
Pt(3) Pt(4) N(11) 103(1) 1_555 1_555 1_555 yes
Pt(3) Pt(4) N(12) 100(1) 1_555 1_555 1_555 yes
N(3) Pt(4) N(4) 91(2) 1_555 1_555 1_555 yes
N(3) Pt(4) N(11) 91(2) 1_555 1_555 1_555 yes
N(3) Pt(4) N(12) 179(2) 1_555 1_555 1_555 yes
N(4) Pt(4) N(11) 176(2) 1_555 1_555 1_555 yes
N(4) Pt(4) N(12) 88(2) 1_555 1_555 1_555 yes
N(11) Pt(4) N(12) 89(2) 1_555 1_555 1_555 yes
O(5) Cl(2) O(6) 108(6) 1_555 1_555 1_555 yes
O(5) Cl(2) O(7) 107(4) 1_555 1_555 1_555 yes
O(5) Cl(2) O(8) 107(4) 1_555 1_555 1_555 yes
O(6) Cl(2) O(7) 102(5) 1_555 1_555 1_555 yes
O(6) Cl(2) O(8) 111(5) 1_555 1_555 1_555 yes
O(7) Cl(2) O(8) 117(4) 1_555 1_555 1_555 yes
O(9) Cl(3) O(10) 115(3) 1_555 1_555 1_555 yes
O(9) Cl(3) O(11) 115(4) 1_555 1_555 1_555 yes
O(9) Cl(3) O(12) 107(3) 1_555 1_555 1_555 yes
O(10) Cl(3) O(11) 96(4) 1_555 1_555 1_555 yes
O(10) Cl(3) O(12) 95(3) 1_555 1_555 1_555 yes
O(11) Cl(3) O(12) 124(4) 1_555 1_555 1_555 yes
O(13) Cl(4) O(14) 119(6) 1_555 1_555 1_555 yes
O(13) Cl(4) O(15) 105(7) 1_555 1_555 1_555 yes
O(13) Cl(4) O(16) 105(5) 1_555 1_555 1_555 yes
O(14) Cl(4) O(15) 130(8) 1_555 1_555 1_555 yes
O(14) Cl(4) O(16) 94(7) 1_555 1_555 1_555 yes
O(15) Cl(4) O(16) 91(6) 1_555 1_555 1_555 yes
Pt(2) O(1) C(5) 127(4) 1_555 1_555 1_555 yes
Pt(2) O(2) C(1) 115(5) 1_555 1_555 1_555 yes
Pt(3) O(3) C(9) 116(5) 1_555 1_555 1_555 yes
Pt(3) O(4) C(13) 116(4) 1_555 1_555 1_555 yes
Pt(1) N(1) C(1) 124(6) 1_555 1_555 1_555 yes
Pt(1) N(1) C(4) 112(6) 1_555 1_555 1_555 yes
C(1) N(1) C(4) 122(9) 1_555 1_555 1_555 yes
Pt(1) N(2) C(5) 130(4) 1_555 1_555 1_555 yes
Pt(1) N(2) C(8) 120(4) 1_555 1_555 1_555 yes
C(5) N(2) C(8) 107(5) 1_555 1_555 1_555 yes
Pt(4) N(3) C(9) 126(7) 1_555 1_555 1_555 yes
Pt(4) N(3) C(12) 117(5) 1_555 1_555 1_555 yes
C(9) N(3) C(12) 114(7) 1_555 1_555 1_555 yes
Pt(4) N(4) C(13) 117(4) 1_555 1_555 1_555 yes
Pt(4) N(4) C(16) 113(4) 1_555 1_555 1_555 yes
C(13) N(4) C(16) 129(6) 1_555 1_555 1_555 yes
O(2) C(1) N(1) 132(9) 1_555 1_555 1_555 yes
O(2) C(1) C(2) 115(8) 1_555 1_555 1_555 yes
N(1) C(1) C(2) 111(8) 1_555 1_555 1_555 yes
C(1) C(2) C(3) 102(6) 1_555 1_555 1_555 yes
C(2) C(3) C(4) 99(6) 1_555 1_555 1_555 yes
N(1) C(4) C(3) 103(8) 1_555 1_555 1_555 yes
O(1) C(5) N(2) 113(6) 1_555 1_555 1_555 yes
O(1) C(5) C(6) 127(7) 1_555 1_555 1_555 yes
N(2) C(5) C(6) 115(6) 1_555 1_555 1_555 yes
C(5) C(6) C(7) 104(7) 1_555 1_555 1_555 yes
C(6) C(7) C(8) 101(6) 1_555 1_555 1_555 yes
N(2) C(8) C(7) 105(6) 1_555 1_555 1_555 yes
O(3) C(9) N(3) 130(10) 1_555 1_555 1_555 yes
O(3) C(9) C(10) 120(9) 1_555 1_555 1_555 yes
N(3) C(9) C(10) 107(9) 1_555 1_555 1_555 yes
C(9) C(10) C(11) 108(7) 1_555 1_555 1_555 yes
C(10) C(11) C(12) 96(7) 1_555 1_555 1_555 yes
N(3) C(12) C(11) 107(7) 1_555 1_555 1_555 yes
O(4) C(13) N(4) 141(7) 1_555 1_555 1_555 yes
O(4) C(13) C(14) 125(6) 1_555 1_555 1_555 yes
N(4) C(13) C(14) 92(5) 1_555 1_555 1_555 yes
C(13) C(14) C(15) 113(6) 1_555 1_555 1_555 yes
C(14) C(15) C(16) 95(7) 1_555 1_555 1_555 yes
N(4) C(16) C(15) 100(6) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) Pt(2) 2.701(4) 1_555 1_555 yes
Pt(1) Cl(1) 2.50(2) 1_555 1_555 yes
Pt(1) N(1) 2.00(6) 1_555 1_555 yes
Pt(1) N(2) 1.91(5) 1_555 1_555 yes
Pt(1) N(5) 1.96(6) 1_555 1_555 yes
Pt(1) N(6) 2.11(6) 1_555 1_555 yes
Pt(2) Pt(3) 2.724(4) 1_555 1_555 yes
Pt(2) O(1) 1.93(4) 1_555 1_555 yes
Pt(2) O(2) 1.99(4) 1_555 1_555 yes
Pt(2) N(7) 2.08(6) 1_555 1_555 yes
Pt(2) N(8) 2.00(5) 1_555 1_555 yes
Pt(3) Pt(4) 2.793(4) 1_555 1_555 yes
Pt(3) O(3) 2.03(4) 1_555 1_555 yes
Pt(3) O(4) 2.03(4) 1_555 1_555 yes
Pt(3) N(9) 2.08(6) 1_555 1_555 yes
Pt(3) N(10) 2.03(6) 1_555 1_555 yes
Pt(4) N(3) 1.98(6) 1_555 1_555 yes
Pt(4) N(4) 2.08(5) 1_555 1_555 yes
Pt(4) N(11) 2.03(6) 1_555 1_555 yes
Pt(4) N(12) 2.10(6) 1_555 1_555 yes
Cl(2) O(5) 1.29(7) 1_555 1_555 yes
Cl(2) O(6) 1.39(9) 1_555 1_555 yes
Cl(2) O(7) 1.48(6) 1_555 1_555 yes
Cl(2) O(8) 1.53(7) 1_555 1_555 yes
Cl(3) O(9) 1.65(7) 1_555 1_555 yes
Cl(3) O(10) 1.61(8) 1_555 1_555 yes
Cl(3) O(11) 1.43(8) 1_555 1_555 yes
Cl(3) O(12) 1.54(6) 1_555 1_555 yes
Cl(4) O(13) 1.35(7) 1_555 1_555 yes
Cl(4) O(14) 1.4(1) 1_555 1_555 yes
Cl(4) O(15) 1.4(2) 1_555 1_555 yes
Cl(4) O(16) 1.48(8) 1_555 1_555 yes
O(1) C(5) 1.31(8) 1_555 1_555 yes
O(2) C(1) 1.27(9) 1_555 1_555 yes
O(3) C(9) 1.2(1) 1_555 1_555 yes
O(4) C(13) 1.10(7) 1_555 1_555 yes
N(1) C(1) 1.19(9) 1_555 1_555 yes
N(1) C(4) 1.3(1) 1_555 1_555 yes
N(2) C(5) 1.37(8) 1_555 1_555 yes
N(2) C(8) 1.45(8) 1_555 1_555 yes
N(3) C(9) 1.3(1) 1_555 1_555 yes
N(3) C(12) 1.50(9) 1_555 1_555 yes
N(4) C(13) 1.27(7) 1_555 1_555 yes
N(4) C(16) 1.47(9) 1_555 1_555 yes
C(1) C(2) 1.54(10) 1_555 1_555 yes
C(2) C(3) 1.58(9) 1_555 1_555 yes
C(3) C(4) 1.7(1) 1_555 1_555 yes
C(5) C(6) 1.47(9) 1_555 1_555 yes
C(6) C(7) 1.5(1) 1_555 1_555 yes
C(7) C(8) 1.6(1) 1_555 1_555 yes
C(9) C(10) 1.5(1) 1_555 1_555 yes
C(10) C(11) 1.6(1) 1_555 1_555 yes
C(11) C(12) 1.5(1) 1_555 1_555 yes
C(13) C(14) 1.68(9) 1_555 1_555 yes
C(14) C(15) 1.5(1) 1_555 1_555 yes
C(15) C(16) 1.7(1) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O(1) N(10) 2.93(7) 1_555 1_555 no
O(2) N(9) 2.98(7) 1_555 1_555 no
O(3) N(7) 2.75(7) 1_555 1_555 no
O(4) N(8) 2.84(7) 1_555 1_555 no
Pt(4) Cl(1) 3.05(2) 1_555 2_546 no
Cl(5B) N(9) 2.9(1) 1_555 4_554 no
Cl(6A) N(10) 3.14(9) 1_555 1_555 no
Cl(6A) N(8) 3.33(9) 1_555 1_555 no
O(5) N(8) 3.12(9) 1_555 1_555 no
O(6) N(10) 3.1(1) 1_555 1_555 no
O(7) O(10) 2.96(10) 1_555 1_655 no
O(7) N(7) 3.18(9) 1_555 1_655 no
O(8) N(5) 3.33(9) 1_555 1_655 no
O(9) N(6) 2.71(9) 1_555 1_555 no
O(9) N(8) 2.74(9) 1_555 1_555 no
O(10) N(11) 2.77(10) 1_555 4_454 no
O(10) N(9) 3.09(9) 1_555 4_454 no
O(10) N(5) 3.15(9) 1_555 1_555 no
O(10) N(7) 3.21(9) 1_555 1_555 no
O(11) N(7) 3.19(10) 1_555 1_555 no
O(12) N(12) 2.66(8) 1_555 4_454 no
O(12) N(10) 2.70(8) 1_555 4_454 no
O(13) N(12) 3.1(1) 1_555 3_656 no
O(15) N(11) 3.0(2) 1_555 1_554 no
O(15) N(5) 3.2(2) 1_555 4_554 no
O(16) N(6) 3.04(9) 1_555 2_545 no
O(16) N(5) 3.27(10) 1_555 2_545 no
