#------------------------------------------------------------------------------
#$Date: 2021-07-13 13:07:30 +0300 (Tue, 13 Jul 2021) $
#$Revision: 267509 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/41/1564139.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_1564139
loop_
_publ_author_name
'Berti, Beatrice'
'Bortoluzzi, Marco'
'Ceriotti, Alessandro'
'Cesari, Cristiana'
'Femoni, Cristina'
'Carmela Iapalucci, Maria'
'Zacchini, Stefano'
_publ_section_title
;
 Further insights into platinum carbonyl Chini clusters
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119904
_journal_paper_doi               10.1016/j.ica.2020.119904
_journal_volume                  512
_journal_year                    2020
_chemical_formula_sum            'C53 H45 N5 O19 Pt9'
_chemical_formula_weight         2811.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 113.692(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.523(8)
_cell_length_b                   24.368(9)
_cell_length_c                   14.148(5)
_cell_measurement_reflns_used    2002
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.4365
_cell_measurement_theta_min      2.2945
_cell_volume                     6479(4)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  '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  0.1347
_diffrn_reflns_av_unetI/netI     0.0972
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            26340
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        23.533
_diffrn_reflns_theta_max         23.533
_diffrn_reflns_theta_min         1.368
_exptl_absorpt_coefficient_mu    19.419
_exptl_absorpt_correction_T_max  0.0718
_exptl_absorpt_correction_T_min  0.0192
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1460 (selected reflections only, before parameter refinement)
 R(int) = 0.0646 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.882
_exptl_crystal_description       prism
_exptl_crystal_F_000             5008
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.184
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.219
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4812
_refine_ls_number_restraints     414
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.1628
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0813P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1388
_refine_ls_wR_factor_ref         0.1831
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2125
_reflns_number_total             4812
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            3.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1564139
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.172
_shelx_estimated_absorpt_t_max   0.224
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.02585(7) 0.34992(5) 0.44513(11) 0.1086(5) Uani 1 1 d . U . . .
Pt2 Pt 0.06165(6) 0.26441(5) 0.51055(9) 0.0877(4) Uani 1 1 d . U . . .
Pt3 Pt 0.0000 0.34163(7) 0.2500 0.0987(6) Uani 1 2 d S TU P . .
Pt4 Pt 0.07042(6) 0.24754(5) 0.30280(9) 0.0799(4) Uani 1 1 d . U . . .
Pt5 Pt 0.07728(6) 0.24835(5) 0.09282(9) 0.0829(4) Uani 1 1 d . U . . .
C1 C 0.1483(15) 0.2374(12) 0.587(2) 0.091(6) Uani 1 1 d . U . . .
C2 C 0.0791(15) 0.3416(12) 0.545(2) 0.095(5) Uani 1 1 d . U . . .
C3 C -0.0401(18) 0.4210(14) 0.447(3) 0.123(6) Uani 1 1 d . U . . .
C4 C -0.1215(17) 0.3193(13) 0.397(2) 0.108(6) Uani 1 1 d . U . . .
C5 C 0.0000 0.1866(16) 0.2500 0.084(5) Uani 1 2 d S TU P . .
C6 C 0.1540(15) 0.2072(11) 0.363(2) 0.087(5) Uani 1 1 d . U . . .
C7 C 0.1120(15) 0.3245(12) 0.332(2) 0.090(4) Uani 1 1 d . U . . .
C8 C 0.0000 0.4143(19) 0.2500 0.114(6) Uani 1 2 d S TU P . .
C9 C -0.0037(14) 0.1943(12) 0.013(2) 0.080(6) Uani 1 1 d . U . . .
C10 C 0.1555(16) 0.2052(12) 0.135(2) 0.095(6) Uani 1 1 d . U . . .
O1 O 0.2055(12) 0.2238(10) 0.6459(19) 0.146(8) Uani 1 1 d . U . . .
O2 O 0.1232(11) 0.3747(8) 0.5951(16) 0.123(7) Uani 1 1 d . U . . .
O3 O -0.0616(13) 0.4698(10) 0.435(2) 0.171(10) Uani 1 1 d . U . . .
O4 O -0.1834(10) 0.3380(8) 0.3683(16) 0.116(6) Uani 1 1 d . U . . .
O5 O 0.0000 0.1370(11) 0.2500 0.108(8) Uani 1 2 d S TU P . .
O6 O 0.2039(12) 0.1814(9) 0.4070(19) 0.138(8) Uani 1 1 d . U . . .
O7 O 0.1632(10) 0.3524(8) 0.3644(16) 0.107(6) Uani 1 1 d . U . . .
O8 O 0.0000 0.4640(13) 0.2500 0.159(11) Uani 1 2 d S TU P . .
O9 O -0.0123(10) 0.1473(8) -0.0078(15) 0.106(6) Uani 1 1 d . U . . .
O10 O 0.2079(12) 0.1805(9) 0.1603(18) 0.137(8) Uani 1 1 d . U . . .
C20 C 0.6610(13) 0.3890(10) 0.218(2) 0.112(10) Uani 1 1 d . U . . .
H20A H 0.6105 0.3835 0.1856 0.168 Uiso 1 1 calc DR U . . .
H20B H 0.6825 0.3754 0.1734 0.168 Uiso 1 1 calc R U . . .
H20C H 0.6801 0.3698 0.2824 0.168 Uiso 1 1 calc R U . . .
N1 N 0.6774(11) 0.4526(9) 0.2374(15) 0.077(4) Uani 1 1 d . U . . .
C21 C 0.7448(15) 0.4676(11) 0.2815(19) 0.082(5) Uani 1 1 d . U . . .
H21 H 0.7779 0.4392 0.3014 0.098 Uiso 1 1 calc R U . . .
C22 C 0.7714(15) 0.5179(11) 0.301(2) 0.087(5) Uani 1 1 d . U . . .
H22 H 0.8201 0.5245 0.3297 0.105 Uiso 1 1 calc R U . . .
C23 C 0.7226(14) 0.5595(12) 0.276(2) 0.089(5) Uani 1 1 d . U . . .
H23 H 0.7369 0.5959 0.2901 0.107 Uiso 1 1 calc R U . . .
C24 C 0.6517(15) 0.5457(11) 0.2294(19) 0.088(5) Uani 1 1 d . U . . .
H24 H 0.6195 0.5746 0.2118 0.106 Uiso 1 1 calc R U . . .
C25 C 0.6230(13) 0.4935(11) 0.2057(19) 0.078(4) Uani 1 1 d D U . . .
C26 C 0.5471(11) 0.4802(9) 0.1611(18) 0.078(5) Uani 1 1 d D U . . .
H26 H 0.5338 0.4440 0.1645 0.094 Uiso 1 1 calc DR U . . .
C27 C 0.4967(11) 0.5164(10) 0.1164(17) 0.082(5) Uani 1 1 d D U . . .
H27 H 0.5092 0.5526 0.1112 0.098 Uiso 1 1 calc R U . . .
C28 C 0.4218(13) 0.5013(11) 0.0748(19) 0.081(4) Uani 1 1 d D U . . .
C29 C 0.3762(14) 0.5416(11) 0.0432(19) 0.082(5) Uani 1 1 d . U . . .
H29 H 0.3932 0.5775 0.0542 0.098 Uiso 1 1 calc R U . . .
C30 C 0.3000(15) 0.5329(12) -0.008(2) 0.088(5) Uani 1 1 d . U . . .
H30 H 0.2684 0.5621 -0.0328 0.105 Uiso 1 1 calc DR U . . .
C31 C 0.2773(16) 0.4804(12) -0.019(2) 0.091(5) Uani 1 1 d . U . . .
C32 C 0.3271(14) 0.4358(12) 0.0142(19) 0.087(5) Uani 1 1 d . U . . .
H32 H 0.3112 0.3996 0.0039 0.104 Uiso 1 1 calc R U . . .
C33 C 0.4003(14) 0.4474(11) 0.0621(19) 0.084(5) Uani 1 1 d . U . . .
H33 H 0.4335 0.4192 0.0849 0.101 Uiso 1 1 calc R U . . .
N2 N 0.2050(13) 0.4685(10) -0.0621(18) 0.109(5) Uani 1 1 d D U . . .
C34 C 0.1552(16) 0.5143(12) -0.095(2) 0.125(9) Uani 1 1 d D U . . .
H34A H 0.1074 0.5006 -0.1230 0.187 Uiso 1 1 calc DR U . . .
H34B H 0.1620 0.5372 -0.0362 0.187 Uiso 1 1 calc R U . . .
H34C H 0.1636 0.5354 -0.1460 0.187 Uiso 1 1 calc R U . . .
C35 C 0.1774(15) 0.4136(11) -0.090(2) 0.123(9) Uani 1 1 d D U . . .
H35A H 0.1264 0.4146 -0.1186 0.184 Uiso 1 1 calc R U . . .
H35B H 0.1932 0.3991 -0.1403 0.184 Uiso 1 1 calc R U . . .
H35C H 0.1944 0.3907 -0.0298 0.184 Uiso 1 1 calc R U . . .
O101 O 0.494(7) 0.3449(19) 0.251(10) 0.181(17) Uiso 0.5 1 d D U P A -1
C101 C 0.470(4) 0.299(3) 0.233(6) 0.199(17) Uiso 0.5 1 d D U P A -1
H101 H 0.4216 0.2954 0.1963 0.239 Uiso 0.5 1 calc R U P A -1
N101 N 0.508(4) 0.251(3) 0.261(5) 0.200(16) Uiso 0.5 1 d D U P A -1
C102 C 0.585(3) 0.257(3) 0.319(6) 0.18(2) Uiso 0.5 1 d D U P A -1
H10A H 0.6073 0.2214 0.3350 0.264 Uiso 0.5 1 calc R U P A -1
H10B H 0.6049 0.2771 0.2782 0.264 Uiso 0.5 1 calc R U P A -1
H10C H 0.5944 0.2765 0.3819 0.264 Uiso 0.5 1 calc R U P A -1
C103 C 0.465(3) 0.200(2) 0.228(7) 0.17(2) Uiso 0.5 1 d D U P A -1
H10D H 0.4955 0.1686 0.2505 0.258 Uiso 0.5 1 calc R U P A -1
H10E H 0.4307 0.1993 0.2582 0.258 Uiso 0.5 1 calc R U P A -1
H10F H 0.4409 0.1997 0.1542 0.258 Uiso 0.5 1 calc R U P A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C3 Pt1 C4 103.5(14) . .
C3 Pt1 C2 102.8(13) . .
C4 Pt1 C2 146.3(13) . .
C3 Pt1 Pt5 149.9(11) . 2
C4 Pt1 Pt5 46.4(9) . 2
C2 Pt1 Pt5 105.6(8) . 2
C3 Pt1 Pt2 149.2(11) . .
C4 Pt1 Pt2 105.4(9) . .
C2 Pt1 Pt2 46.4(8) . .
Pt5 Pt1 Pt2 59.96(5) 2 .
C3 Pt1 Pt3 99.7(11) . .
C4 Pt1 Pt3 100.2(9) . .
C2 Pt1 Pt3 95.7(8) . .
Pt5 Pt1 Pt3 87.39(5) 2 .
Pt2 Pt1 Pt3 85.63(5) . .
C1 Pt2 C2 99.5(12) . .
C1 Pt2 C9 99.4(12) . 2
C2 Pt2 C9 153.3(11) . 2
C1 Pt2 Pt5 149.5(9) . 2
C2 Pt2 Pt5 109.2(8) . 2
C9 Pt2 Pt5 50.1(8) 2 2
C1 Pt2 Pt1 149.6(9) . .
C2 Pt2 Pt1 50.1(8) . .
C9 Pt2 Pt1 109.4(8) 2 .
Pt5 Pt2 Pt1 59.97(5) 2 .
C1 Pt2 Pt4 96.2(9) . .
C2 Pt2 Pt4 107.2(9) . .
C9 Pt2 Pt4 89.4(7) 2 .
Pt5 Pt2 Pt4 85.15(5) 2 .
Pt1 Pt2 Pt4 93.63(5) . .
C8 Pt3 C7 101.2(8) . 2
C8 Pt3 C7 101.2(8) . .
C7 Pt3 C7 157.7(15) 2 .
C8 Pt3 Pt4 149.81(3) . .
C7 Pt3 Pt4 109.0(8) 2 .
C7 Pt3 Pt4 48.6(8) . .
C8 Pt3 Pt4 149.81(3) . 2
C7 Pt3 Pt4 48.6(8) 2 2
C7 Pt3 Pt4 109.0(8) . 2
Pt4 Pt3 Pt4 60.38(7) . 2
C8 Pt3 Pt1 86.17(4) . .
C7 Pt3 Pt1 87.8(8) 2 .
C7 Pt3 Pt1 93.7(8) . .
Pt4 Pt3 Pt1 94.38(5) . .
Pt4 Pt3 Pt1 92.25(4) 2 .
C8 Pt3 Pt1 86.17(4) . 2
C7 Pt3 Pt1 93.7(8) 2 2
C7 Pt3 Pt1 87.8(8) . 2
Pt4 Pt3 Pt1 92.25(4) . 2
Pt4 Pt3 Pt1 94.38(5) 2 2
Pt1 Pt3 Pt1 172.33(8) . 2
C6 Pt4 C5 100.1(11) . .
C6 Pt4 C7 99.2(11) . .
C5 Pt4 C7 160.7(11) . .
C6 Pt4 Pt3 152.0(9) . .
C5 Pt4 Pt3 107.9(8) . .
C7 Pt4 Pt3 52.9(8) . .
C6 Pt4 Pt4 148.1(9) . 2
C5 Pt4 Pt4 48.1(8) . 2
C7 Pt4 Pt4 112.7(8) . 2
Pt3 Pt4 Pt4 59.81(3) . 2
C6 Pt4 Pt5 93.3(8) . .
C5 Pt4 Pt5 87.12(7) . .
C7 Pt4 Pt5 90.6(8) . .
Pt3 Pt4 Pt5 87.30(4) . .
Pt4 Pt4 Pt5 85.28(6) 2 .
C6 Pt4 Pt2 91.6(8) . .
C5 Pt4 Pt2 98.45(6) . .
C7 Pt4 Pt2 82.2(8) . .
Pt3 Pt4 Pt2 85.31(4) . .
Pt4 Pt4 Pt2 93.99(6) 2 .
Pt5 Pt4 Pt2 171.83(5) . .
C10 Pt5 C4 99.6(13) . 2
C10 Pt5 C9 102.9(12) . .
C4 Pt5 C9 149.5(12) 2 .
C10 Pt5 Pt2 151.8(9) . 2
C4 Pt5 Pt2 106.1(9) 2 2
C9 Pt5 Pt2 49.0(8) . 2
C10 Pt5 Pt1 146.6(9) . 2
C4 Pt5 Pt1 47.0(9) 2 2
C9 Pt5 Pt1 108.4(8) . 2
Pt2 Pt5 Pt1 60.07(4) 2 2
C10 Pt5 Pt4 93.3(9) . .
C4 Pt5 Pt4 98.0(10) 2 .
C9 Pt5 Pt4 101.0(7) . .
Pt2 Pt5 Pt4 94.49(5) 2 .
Pt1 Pt5 Pt4 91.89(5) 2 .
O1 C1 Pt2 173(3) . .
O2 C2 Pt2 144(2) . .
O2 C2 Pt1 132(2) . .
Pt2 C2 Pt1 83.5(11) . .
O3 C3 Pt1 169(3) . .
O4 C4 Pt5 137(2) . 2
O4 C4 Pt1 136(2) . .
Pt5 C4 Pt1 86.5(13) 2 .
O5 C5 Pt4 138.1(8) . 2
O5 C5 Pt4 138.1(8) . .
Pt4 C5 Pt4 83.9(15) 2 .
O6 C6 Pt4 175(3) . .
O7 C7 Pt4 148(2) . .
O7 C7 Pt3 133(2) . .
Pt4 C7 Pt3 78.5(10) . .
O8 C8 Pt3 180.0 . .
O9 C9 Pt2 139(2) . 2
O9 C9 Pt5 140(2) . .
Pt2 C9 Pt5 80.9(11) 2 .
O10 C10 Pt5 175(3) . .
N1 C20 H20A 109.5 . .
N1 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N1 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C21 N1 C25 120(2) . .
C21 N1 C20 117(2) . .
C25 N1 C20 123(2) . .
N1 C21 C22 128(3) . .
N1 C21 H21 115.9 . .
C22 C21 H21 115.9 . .
C21 C22 C23 116(3) . .
C21 C22 H22 122.1 . .
C23 C22 H22 122.1 . .
C22 C23 C24 118(3) . .
C22 C23 H23 121.1 . .
C24 C23 H23 121.1 . .
C23 C24 C25 127(3) . .
C23 C24 H24 116.4 . .
C25 C24 H24 116.4 . .
C24 C25 N1 111(2) . .
C24 C25 C26 126(2) . .
N1 C25 C26 123(2) . .
C27 C26 C25 124(3) . .
C27 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
C26 C27 C28 122(3) . .
C26 C27 H27 119.2 . .
C28 C27 H27 119.2 . .
C29 C28 C33 122(3) . .
C29 C28 C27 116(3) . .
C33 C28 C27 122(3) . .
C28 C29 C30 123(3) . .
C28 C29 H29 118.6 . .
C30 C29 H29 118.6 . .
C31 C30 C29 117(3) . .
C31 C30 H30 121.7 . .
C29 C30 H30 121.7 . .
C30 C31 N2 120(3) . .
C30 C31 C32 121(3) . .
N2 C31 C32 119(3) . .
C33 C32 C31 119(3) . .
C33 C32 H32 120.5 . .
C31 C32 H32 120.5 . .
C28 C33 C32 119(3) . .
C28 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C31 N2 C35 123(3) . .
C31 N2 C34 118(2) . .
C35 N2 C34 118(2) . .
N2 C34 H34A 109.5 . .
N2 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N2 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N2 C35 H35A 109.5 . .
N2 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N2 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O101 C101 N101 127(8) . .
O101 C101 H101 116.4 . .
N101 C101 H101 116.4 . .
C101 N101 C102 115(4) . .
C101 N101 C103 115(4) . .
C102 N101 C103 130(8) . .
N101 C102 H10A 109.5 . .
N101 C102 H10B 109.5 . .
H10A C102 H10B 109.5 . .
N101 C102 H10C 109.5 . .
H10A C102 H10C 109.5 . .
H10B C102 H10C 109.5 . .
N101 C103 H10D 109.5 . .
N101 C103 H10E 109.5 . .
H10D C103 H10E 109.5 . .
N101 C103 H10F 109.5 . .
H10D C103 H10F 109.5 . .
H10E C103 H10F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C3 1.76(3) .
Pt1 C4 1.95(3) .
Pt1 C2 2.06(3) .
Pt1 Pt5 2.6594(19) 2
Pt1 Pt2 2.6621(19) .
Pt1 Pt3 3.0200(19) .
Pt2 C1 1.80(3) .
Pt2 C2 1.94(3) .
Pt2 C9 2.03(3) 2
Pt2 Pt5 2.6591(18) 2
Pt2 Pt4 3.044(2) .
Pt3 C8 1.77(5) .
Pt3 C7 2.16(3) 2
Pt3 C7 2.16(3) .
Pt3 Pt4 2.653(2) .
Pt3 Pt4 2.653(2) 2
Pt3 Pt1 3.0201(19) 2
Pt4 C6 1.86(3) .
Pt4 C5 2.00(3) .
Pt4 C7 2.03(3) .
Pt4 Pt4 2.668(2) 2
Pt4 Pt5 3.030(2) .
Pt5 C10 1.81(3) .
Pt5 C4 1.93(3) 2
Pt5 C9 2.07(3) .
Pt5 Pt2 2.6591(18) 2
Pt5 Pt1 2.6594(19) 2
C1 O1 1.18(3) .
C2 O2 1.21(3) .
C3 O3 1.26(3) .
C4 O4 1.25(3) .
C4 Pt5 1.93(3) 2
C5 O5 1.21(4) .
C5 Pt4 2.00(3) 2
C6 O6 1.15(3) .
C7 O7 1.18(3) .
C8 O8 1.21(4) .
C9 O9 1.18(3) .
C9 Pt2 2.03(3) 2
C10 O10 1.16(3) .
C20 N1 1.59(3) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
N1 C21 1.32(3) .
N1 C25 1.43(3) .
C21 C22 1.32(3) .
C21 H21 0.9300 .
C22 C23 1.37(3) .
C22 H22 0.9300 .
C23 C24 1.38(3) .
C23 H23 0.9300 .
C24 C25 1.38(3) .
C24 H24 0.9300 .
C25 C26 1.46(2) .
C26 C27 1.313(17) .
C26 H26 0.9300 .
C27 C28 1.45(2) .
C27 H27 0.9300 .
C28 C29 1.31(3) .
C28 C33 1.38(3) .
C29 C30 1.45(3) .
C29 H29 0.9300 .
C30 C31 1.35(3) .
C30 H30 0.9300 .
C31 N2 1.39(3) .
C31 C32 1.44(3) .
C32 C33 1.41(3) .
C32 H32 0.9300 .
C33 H33 0.9300 .
N2 C35 1.444(18) .
N2 C34 1.457(18) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
O101 C101 1.21(2) .
C101 N101 1.37(2) .
C101 H101 0.9300 .
N101 C102 1.470(17) .
N101 C103 1.477(16) .
C102 H10A 0.9600 .
C102 H10B 0.9600 .
C102 H10C 0.9600 .
C103 H10D 0.9600 .
C103 H10E 0.9600 .
C103 H10F 0.9600 .
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C4 Pt1 C3 O3 -25(18) . . . .
C2 Pt1 C3 O3 177(17) . . . .
Pt5 Pt1 C3 O3 -23(19) 2 . . .
Pt2 Pt1 C3 O3 176(16) . . . .
Pt3 Pt1 C3 O3 79(18) . . . .
C25 N1 C21 C22 -1(4) . . . .
C20 N1 C21 C22 176(3) . . . .
N1 C21 C22 C23 3(4) . . . .
C21 C22 C23 C24 -3(4) . . . .
C22 C23 C24 C25 1(4) . . . .
C23 C24 C25 N1 1(4) . . . .
C23 C24 C25 C26 177(3) . . . .
C21 N1 C25 C24 -1(3) . . . .
C20 N1 C25 C24 -178(2) . . . .
C21 N1 C25 C26 -177(2) . . . .
C20 N1 C25 C26 6(4) . . . .
C24 C25 C26 C27 16(4) . . . .
N1 C25 C26 C27 -169(2) . . . .
C25 C26 C27 C28 -179(2) . . . .
C26 C27 C28 C29 172(3) . . . .
C26 C27 C28 C33 -13(4) . . . .
C33 C28 C29 C30 -1(4) . . . .
C27 C28 C29 C30 174(2) . . . .
C28 C29 C30 C31 3(4) . . . .
C29 C30 C31 N2 177(2) . . . .
C29 C30 C31 C32 -4(4) . . . .
C30 C31 C32 C33 3(4) . . . .
N2 C31 C32 C33 -177(2) . . . .
C29 C28 C33 C32 0(4) . . . .
C27 C28 C33 C32 -175(2) . . . .
C31 C32 C33 C28 -1(4) . . . .
C30 C31 N2 C35 170(3) . . . .
C32 C31 N2 C35 -10(4) . . . .
C30 C31 N2 C34 -1(4) . . . .
C32 C31 N2 C34 180(2) . . . .
O101 C101 N101 C102 0(3) . . . .
O101 C101 N101 C103 180(3) . . . .
