#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/70/7007016.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_7007016
loop_
_publ_author_name
'Liu, Fenghui'
'Chen, Wanzhi'
'Wang, Daqi'
_publ_section_title
;
 Synthesis and characterization of amidate bridged dimeric and
 oligomeric platinum complexes having short platinum-platinum
 interactions.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3445
_journal_page_last               3453
_journal_paper_doi               10.1039/b516410a
_journal_year                    2006
_chemical_formula_sum            'C20.5 H53 N9 O15 Pt2'
_chemical_formula_weight         1055.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.775(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.307(2)
_cell_length_b                   17.158(3)
_cell_length_c                   16.924(3)
_cell_measurement_temperature    123(2)
_cell_volume                     3837.1(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17883
_diffrn_reflns_theta_full        24.51
_diffrn_reflns_theta_max         24.51
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    7.353
_exptl_absorpt_correction_T_max  0.5268
_exptl_absorpt_correction_T_min  0.3074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2060
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.636
_refine_diff_density_min         -0.860
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         6293
_refine_ls_number_restraints     1478
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0393
_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)+(0.0535P)²+22.7221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1100
_reflns_number_gt                5133
_reflns_number_total             6293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516410a.txt
_cod_data_source_block           318
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3837.2(11)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C20.50 H53 N9 O15 Pt2'
_cod_database_code               7007016
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.68774(2) 0.132770(18) 0.908097(18) 0.03367(12) Uani 1 1 d U . .
Pt2 Pt 0.59322(2) 0.140604(16) 0.759321(19) 0.02941(11) Uani 1 1 d DU C .
N1 N 0.7664(5) 0.2258(4) 0.8805(4) 0.0335(14) Uani 1 1 d U . .
H1 H 0.8023 0.2519 0.9187 0.040 Uiso 1 1 calc RD . .
N2 N 0.7861(5) 0.0625(4) 0.8614(4) 0.0360(15) Uani 1 1 d U . .
H2 H 0.8445 0.0520 0.8893 0.043 Uiso 1 1 calc R . .
N3 N 0.6178(7) 0.0373(5) 0.9464(5) 0.060(2) Uani 1 1 d U . .
H3D H 0.6636 -0.0020 0.9562 0.090 Uiso 1 1 calc R . .
H3E H 0.5677 0.0219 0.9084 0.090 Uiso 1 1 calc R . .
H3F H 0.5908 0.0490 0.9919 0.090 Uiso 1 1 calc R . .
N4 N 0.5975(7) 0.2071(5) 0.9610(5) 0.063(2) Uani 1 1 d U . .
H4D H 0.6198 0.2107 1.0138 0.095 Uiso 1 1 calc R . .
H4E H 0.5328 0.1890 0.9547 0.095 Uiso 1 1 calc R . .
H4F H 0.5994 0.2551 0.9383 0.095 Uiso 1 1 calc R . .
N5 N 0.4868(5) 0.2269(4) 0.7607(5) 0.0462(16) Uani 1 1 d U . .
H5D H 0.4857 0.2457 0.8115 0.055 Uiso 1 1 calc R A 1
H5E H 0.5008 0.2675 0.7281 0.055 Uiso 1 1 calc R A 1
N6 N 0.4723(5) 0.0668(4) 0.7578(5) 0.0449(17) Uani 1 1 d U . .
H6A H 0.4684 0.0359 0.7131 0.054 Uiso 1 1 calc R B 1
H6B H 0.4808 0.0349 0.8018 0.054 Uiso 1 1 calc R B 1
N7 N 0.5194(10) 0.4001(6) 0.8666(7) 0.085(3) Uani 1 1 d U . .
N8 N 0.5263(7) 0.1096(5) 0.1387(5) 0.050(2) Uani 1 1 d U . .
N9 N 0.6519(10) 0.8430(9) 0.0102(9) 0.108(4) Uani 1 1 d U . .
O1 O 0.7037(5) 0.2191(4) 0.7505(4) 0.0546(15) Uani 1 1 d U . .
O2 O 0.6899(5) 0.0531(4) 0.7448(4) 0.0523(15) Uani 1 1 d U . .
C19 C 0.8548(10) -0.0017(5) 1.0361(7) 0.081(3) Uani 1 1 d DU . .
H19A H 0.9159 -0.0333 1.0347 0.121 Uiso 1 1 calc R . .
H19B H 0.7997 -0.0234 0.9992 0.121 Uiso 1 1 calc R . .
H19C H 0.8353 -0.0018 1.0902 0.121 Uiso 1 1 calc R . .
O4 O 0.5455(9) 0.1442(5) 0.6116(6) 0.102(3) Uani 1 1 d DU . .
H23 H 0.6012 0.1527 0.5932 0.123 Uiso 1 1 d R C .
H24 H 0.5092 0.1846 0.6014 0.123 Uiso 1 1 d R . .
O5 O 0.4724(10) 0.3438(5) 0.8901(7) 0.106(3) Uani 1 1 d U . .
O6 O 0.5905(9) 0.3873(7) 0.8275(7) 0.111(3) Uani 1 1 d U . .
O7 O 0.4833(9) 0.4668(5) 0.8742(6) 0.103(3) Uani 1 1 d U . .
O8 O 0.5683(5) 0.0509(4) 0.1138(4) 0.0526(16) Uani 1 1 d U . .
O9 O 0.4515(7) 0.0971(5) 0.1743(5) 0.081(2) Uani 1 1 d U . .
O10 O 0.5611(6) 0.1765(3) 0.1294(4) 0.0540(17) Uani 1 1 d U . .
O11 O 0.6363(13) 0.7758(10) 0.0193(12) 0.193(6) Uani 1 1 d U . .
O12 O 0.7204(11) 0.8627(8) -0.0176(10) 0.166(5) Uani 1 1 d U . .
O13 O 0.5862(8) 0.8864(6) 0.0258(6) 0.097(3) Uani 1 1 d U . .
O14 O 0.7425(13) 0.1928(10) 0.5764(10) 0.085(4) Uani 0.50 1 d PDU . .
O15 O 0.105(2) 0.2151(18) 0.9975(18) 0.169(11) Uani 0.50 1 d PU . .
H25 H 0.1510 0.2446 0.9834 0.203 Uiso 0.50 1 d PR . .
H26 H 0.0995 0.1782 0.9638 0.203 Uiso 0.50 1 d PR . .
O16 O 0.3500(13) 0.4107(10) 0.9980(10) 0.195(6) Uani 1 1 d U . .
H27 H 0.4133 0.4187 0.9996 0.234 Uiso 1 1 d R . .
H28 H 0.3415 0.3618 1.0022 0.234 Uiso 1 1 d R . .
C1 C 0.7659(6) 0.2488(5) 0.8074(5) 0.0347(16) Uani 1 1 d U C .
C2 C 0.8453(6) 0.3081(5) 0.7941(5) 0.042(2) Uani 1 1 d U . .
C3 C 0.8197(9) 0.3503(7) 0.7137(7) 0.072(3) Uani 1 1 d U C .
H3A H 0.8167 0.3123 0.6703 0.107 Uiso 1 1 calc R . .
H3B H 0.8722 0.3891 0.7070 0.107 Uiso 1 1 calc R . .
H3C H 0.7541 0.3764 0.7126 0.107 Uiso 1 1 calc R . .
C4 C 0.9442(8) 0.2643(7) 0.7952(8) 0.079(3) Uani 1 1 d U C .
H4A H 0.9640 0.2432 0.8486 0.119 Uiso 1 1 calc R . .
H4B H 0.9969 0.2999 0.7811 0.119 Uiso 1 1 calc R . .
H4C H 0.9358 0.2215 0.7567 0.119 Uiso 1 1 calc R . .
C5 C 0.8512(9) 0.3696(6) 0.8609(7) 0.067(3) Uani 1 1 d U C .
H5A H 0.7828 0.3878 0.8674 0.100 Uiso 1 1 calc R . .
H5B H 0.8925 0.4137 0.8470 0.100 Uiso 1 1 calc R . .
H5C H 0.8819 0.3462 0.9108 0.100 Uiso 1 1 calc RD . .
C6 C 0.7657(6) 0.0326(5) 0.7916(5) 0.0354(17) Uani 1 1 d U C .
C7 C 0.8450(7) -0.0256(5) 0.7678(6) 0.045(2) Uani 1 1 d U . .
C8 C 0.8631(8) -0.0868(6) 0.8348(6) 0.059(3) Uani 1 1 d U C .
H8A H 0.8008 -0.1167 0.8377 0.088 Uiso 1 1 calc R . .
H8B H 0.8825 -0.0604 0.8857 0.088 Uiso 1 1 calc R . .
H8C H 0.9174 -0.1222 0.8236 0.088 Uiso 1 1 calc R . .
C9 C 0.9419(8) 0.0210(6) 0.7609(7) 0.063(3) Uani 1 1 d U C .
H9A H 0.9912 -0.0123 0.7384 0.094 Uiso 1 1 calc R . .
H9B H 0.9704 0.0390 0.8138 0.094 Uiso 1 1 calc R . .
H9C H 0.9260 0.0661 0.7261 0.094 Uiso 1 1 calc R . .
C10 C 0.8093(8) -0.0638(6) 0.6903(6) 0.060(3) Uani 1 1 d U C .
H10A H 0.7404 -0.0834 0.6916 0.089 Uiso 1 1 calc R . .
H10B H 0.8544 -0.1072 0.6813 0.089 Uiso 1 1 calc R . .
H10C H 0.8098 -0.0258 0.6471 0.089 Uiso 1 1 calc R . .
C11 C 0.3863(12) 0.1899(9) 0.7307(16) 0.056(3) Uani 0.561(17) 1 d PDU C 1
H11 H 0.3919 0.1828 0.6727 0.067 Uiso 0.561(17) 1 calc PR C 1
C12 C 0.3792(7) 0.1111(5) 0.7577(8) 0.0622(19) Uani 0.561(17) 1 d PDU C 1
H12 H 0.3820 0.1212 0.8162 0.075 Uiso 0.561(17) 1 calc PR C 1
C13 C 0.2807(6) 0.0693(6) 0.7450(8) 0.067(2) Uani 0.561(17) 1 d PDU C 1
H13A H 0.2820 0.0253 0.7829 0.081 Uiso 0.561(17) 1 calc PR C 1
H13B H 0.2717 0.0474 0.6905 0.081 Uiso 0.561(17) 1 calc PR C 1
C14 C 0.1901(14) 0.1227(11) 0.7560(17) 0.069(3) Uani 0.561(17) 1 d PDU C 1
H14A H 0.1263 0.0953 0.7368 0.083 Uiso 0.561(17) 1 calc PR C 1
H14B H 0.1895 0.1340 0.8133 0.083 Uiso 0.561(17) 1 calc PR C 1
C15 C 0.1955(13) 0.1993(11) 0.7104(17) 0.069(3) Uani 0.561(17) 1 d PDU C 1
H15A H 0.1849 0.1883 0.6526 0.083 Uiso 0.561(17) 1 calc PR C 1
H15B H 0.1400 0.2339 0.7231 0.083 Uiso 0.561(17) 1 calc PR C 1
C16 C 0.2947(12) 0.2412(12) 0.7297(16) 0.065(3) Uani 0.561(17) 1 d PDU C 1
H16A H 0.2991 0.2831 0.6900 0.078 Uiso 0.561(17) 1 calc PR C 1
H16B H 0.2956 0.2662 0.7825 0.078 Uiso 0.561(17) 1 calc PR C 1
C11' C 0.3913(15) 0.1939(10) 0.780(2) 0.057(3) Uani 0.439(17) 1 d PDU C 2
H11' H 0.4019 0.1916 0.8392 0.069 Uiso 0.439(17) 1 calc PR C 2
C12' C 0.3792(7) 0.1111(5) 0.7577(8) 0.0622(19) Uani 0.439(17) 1 d PU C 2
H12' H 0.3770 0.1233 0.6998 0.075 Uiso 0.439(17) 1 calc PR C 2
C13' C 0.2807(6) 0.0693(6) 0.7450(8) 0.067(2) Uani 0.439(17) 1 d PU C 2
H13C H 0.2667 0.0446 0.7954 0.081 Uiso 0.439(17) 1 calc PR C 2
H13D H 0.2843 0.0277 0.7049 0.081 Uiso 0.439(17) 1 calc PR C 2
C14' C 0.1939(18) 0.1267(13) 0.7160(19) 0.068(4) Uani 0.439(17) 1 d PDU C 2
H14C H 0.1954 0.1370 0.6586 0.082 Uiso 0.439(17) 1 calc PR C 2
H14D H 0.1283 0.1016 0.7223 0.082 Uiso 0.439(17) 1 calc PR C 2
C15' C 0.2000(17) 0.2053(13) 0.761(2) 0.069(3) Uani 0.439(17) 1 d PDU C 2
H15C H 0.1469 0.2405 0.7352 0.083 Uiso 0.439(17) 1 calc PR C 2
H15D H 0.1849 0.1960 0.8162 0.083 Uiso 0.439(17) 1 calc PR C 2
C16' C 0.3010(15) 0.2460(15) 0.764(2) 0.065(3) Uani 0.439(17) 1 d PDU C 2
H16C H 0.3042 0.2732 0.7130 0.078 Uiso 0.439(17) 1 calc PR C 2
H16D H 0.3048 0.2862 0.8064 0.078 Uiso 0.439(17) 1 calc PR C 2
C17 C 0.7877(7) 0.1289(5) 1.0160(5) 0.051(2) Uani 1 1 d DU . .
H17A H 0.8144 0.1820 1.0281 0.061 Uiso 1 1 calc R . .
H17B H 0.7489 0.1131 1.0598 0.061 Uiso 1 1 calc R . .
C18 C 0.8743(10) 0.0747(7) 1.0138(8) 0.091(3) Uani 1 1 d DU . .
O3 O 0.9629(8) 0.0919(7) 0.9943(8) 0.148(5) Uani 1 1 d DU . .
C20 C 0.836(2) 0.0777(11) 0.5458(14) 0.109(8) Uani 0.50 1 d PDU . .
H20A H 0.7721 0.0495 0.5441 0.163 Uiso 0.50 1 calc PR . .
H20B H 0.8882 0.0507 0.5817 0.163 Uiso 0.50 1 calc PR . .
H20C H 0.8574 0.0797 0.4923 0.163 Uiso 0.50 1 calc PR . .
C21 C 0.8233(17) 0.1584(13) 0.5752(17) 0.101(7) Uani 0.50 1 d PDU . .
C22 C 0.9253(17) 0.1984(18) 0.582(2) 0.138(9) Uani 0.50 1 d PDU . .
H22A H 0.9789 0.1591 0.5837 0.207 Uiso 0.50 1 calc PR . .
H22B H 0.9345 0.2291 0.6315 0.207 Uiso 0.50 1 calc PR . .
H22C H 0.9286 0.2329 0.5366 0.207 Uiso 0.50 1 calc PR . .
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
_geom_angle_publ_flag
N1 Pt1 N2 90.2(3) . . ?
N1 Pt1 N3 174.2(3) . . ?
N2 Pt1 N3 89.2(3) . . ?
N1 Pt1 N4 87.4(3) . . ?
N2 Pt1 N4 175.6(3) . . ?
N3 Pt1 N4 92.8(4) . . ?
N1 Pt1 C17 86.2(3) . . ?
N2 Pt1 C17 87.1(3) . . ?
N3 Pt1 C17 88.0(4) . . ?
N4 Pt1 C17 89.1(4) . . ?
N1 Pt1 Pt2 86.61(18) . . ?
N2 Pt1 Pt2 85.16(18) . . ?
N3 Pt1 Pt2 99.1(2) . . ?
N4 Pt1 Pt2 98.4(3) . . ?
C17 Pt1 Pt2 169.4(3) . . ?
O2 Pt2 O1 90.4(3) . . ?
O2 Pt2 N6 92.9(3) . . ?
O1 Pt2 N6 173.7(3) . . ?
O2 Pt2 N5 173.2(3) . . ?
O1 Pt2 N5 91.7(3) . . ?
N6 Pt2 N5 84.5(3) . . ?
O2 Pt2 O4 89.2(3) . . ?
O1 Pt2 O4 90.6(3) . . ?
N6 Pt2 O4 84.1(3) . . ?
N5 Pt2 O4 84.2(3) . . ?
O2 Pt2 Pt1 80.89(19) . . ?
O1 Pt2 Pt1 80.67(19) . . ?
N6 Pt2 Pt1 105.2(2) . . ?
N5 Pt2 Pt1 105.9(2) . . ?
O4 Pt2 Pt1 166.7(3) . . ?
C1 N1 Pt1 121.5(5) . . ?
C6 N2 Pt1 121.6(5) . . ?
C11' N5 Pt2 110.0(8) . . ?
C11 N5 Pt2 106.1(7) . . ?
C12 N6 Pt2 110.2(5) . . ?
O6 N7 O5 118.7(12) . . ?
O6 N7 O7 122.8(13) . . ?
O5 N7 O7 117.7(13) . . ?
O9 N8 O8 116.1(8) . . ?
O9 N8 O10 123.3(8) . . ?
O8 N8 O10 120.6(7) . . ?
O12 N9 O11 120.6(18) . . ?
O12 N9 O13 123.5(16) . . ?
O11 N9 O13 115.6(14) . . ?
C1 O1 Pt2 127.9(6) . . ?
C6 O2 Pt2 127.5(6) . . ?
O1 C1 N1 121.4(7) . . ?
O1 C1 C2 123.5(7) . . ?
N1 C1 C2 115.1(7) . . ?
C1 C2 C4 106.7(8) . . ?
C1 C2 C5 109.2(7) . . ?
C4 C2 C5 111.2(9) . . ?
C1 C2 C3 111.3(7) . . ?
C4 C2 C3 110.2(9) . . ?
C5 C2 C3 108.2(8) . . ?
O2 C6 N2 122.2(8) . . ?
O2 C6 C7 122.6(8) . . ?
N2 C6 C7 115.0(7) . . ?
C10 C7 C9 110.2(9) . . ?
C10 C7 C6 111.0(8) . . ?
C9 C7 C6 106.9(7) . . ?
C10 C7 C8 110.7(8) . . ?
C9 C7 C8 110.5(8) . . ?
C6 C7 C8 107.5(7) . . ?
C12 C11 C16 118.1(15) . . ?
C12 C11 N5 112.2(13) . . ?
C16 C11 N5 116.2(13) . . ?
C11 C12 N6 113.9(9) . . ?
C11 C12 C13 119.9(10) . . ?
N6 C12 C13 119.0(8) . . ?
C12 C13 C14 112.6(11) . . ?
C15 C14 C13 111.4(15) . . ?
C16 C15 C14 113.2(18) . . ?
C11 C16 C15 114.4(17) . . ?
N5 C11' C16' 115.5(17) . . ?
C16' C15' C14' 115(2) . . ?
C11' C16' C15' 115(2) . . ?
C18 C17 Pt1 114.0(7) . . ?
O3 C18 C19 119.1(12) . . ?
O3 C18 C17 126.6(11) . . ?
C19 C18 C17 114.3(10) . . ?
O14 C21 C20 126.1(18) . . ?
O14 C21 C22 124.0(17) . . ?
C20 C21 C22 108.1(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.995(6) . ?
Pt1 N2 2.008(7) . ?
Pt1 N3 2.028(7) . ?
Pt1 N4 2.031(8) . ?
Pt1 C17 2.130(9) . ?
Pt1 Pt2 2.6819(6) . ?
Pt2 O2 2.012(6) . ?
Pt2 O1 2.013(6) . ?
Pt2 N6 2.046(7) . ?
Pt2 N5 2.051(7) . ?
Pt2 O4 2.507(9) . ?
N1 C1 1.297(10) . ?
N2 C6 1.287(10) . ?
N5 C11' 1.46(2) . ?
N5 C11 1.513(19) . ?
N6 C12 1.454(11) . ?
N7 O6 1.236(14) . ?
N7 O5 1.240(14) . ?
N7 O7 1.254(13) . ?
N8 O9 1.241(10) . ?
N8 O8 1.250(10) . ?
N8 O10 1.254(10) . ?
N9 O12 1.127(15) . ?
N9 O11 1.185(18) . ?
N9 O13 1.200(15) . ?
O1 C1 1.297(10) . ?
O2 C6 1.257(10) . ?
C19 C18 1.397(13) . ?
O14 C21 1.230(16) . ?
C1 C2 1.504(11) . ?
C2 C4 1.514(15) . ?
C2 C5 1.542(14) . ?
C2 C3 1.544(14) . ?
C6 C7 1.540(11) . ?
C7 C10 1.492(14) . ?
C7 C9 1.533(13) . ?
C7 C8 1.544(13) . ?
C11 C12 1.434(15) . ?
C11 C16 1.502(16) . ?
C12 C13 1.486(11) . ?
C13 C14 1.543(15) . ?
C14 C15 1.531(17) . ?
C15 C16 1.504(16) . ?
C11' C16' 1.497(17) . ?
C14' C15' 1.548(18) . ?
C15' C16' 1.510(18) . ?
C17 C18 1.484(13) . ?
C18 O3 1.296(13) . ?
C20 C21 1.489(16) . ?
C21 C22 1.513(17) . ?
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
_geom_torsion_publ_flag
N1 Pt1 Pt2 O2 101.6(3) . . . . ?
N2 Pt1 Pt2 O2 11.1(3) . . . . ?
N3 Pt1 Pt2 O2 -77.3(3) . . . . ?
N4 Pt1 Pt2 O2 -171.5(3) . . . . ?
C17 Pt1 Pt2 O2 54.2(13) . . . . ?
N1 Pt1 Pt2 O1 9.7(3) . . . . ?
N2 Pt1 Pt2 O1 -80.8(3) . . . . ?
N3 Pt1 Pt2 O1 -169.2(3) . . . . ?
N4 Pt1 Pt2 O1 96.5(3) . . . . ?
C17 Pt1 Pt2 O1 -37.8(13) . . . . ?
N1 Pt1 Pt2 N6 -167.9(3) . . . . ?
N2 Pt1 Pt2 N6 101.6(3) . . . . ?
N3 Pt1 Pt2 N6 13.2(3) . . . . ?
N4 Pt1 Pt2 N6 -81.0(3) . . . . ?
C17 Pt1 Pt2 N6 144.7(13) . . . . ?
N1 Pt1 Pt2 N5 -79.4(3) . . . . ?
N2 Pt1 Pt2 N5 -169.9(3) . . . . ?
N3 Pt1 Pt2 N5 101.7(3) . . . . ?
N4 Pt1 Pt2 N5 7.5(3) . . . . ?
C17 Pt1 Pt2 N5 -126.9(13) . . . . ?
N1 Pt1 Pt2 O4 59.1(9) . . . . ?
N2 Pt1 Pt2 O4 -31.4(9) . . . . ?
N3 Pt1 Pt2 O4 -119.8(9) . . . . ?
N4 Pt1 Pt2 O4 146.0(9) . . . . ?
C17 Pt1 Pt2 O4 11.7(16) . . . . ?
N2 Pt1 N1 C1 71.9(7) . . . . ?
N4 Pt1 N1 C1 -111.8(7) . . . . ?
C17 Pt1 N1 C1 159.0(7) . . . . ?
Pt2 Pt1 N1 C1 -13.2(6) . . . . ?
N1 Pt1 N2 C6 -101.0(7) . . . . ?
N3 Pt1 N2 C6 84.8(7) . . . . ?
C17 Pt1 N2 C6 172.8(7) . . . . ?
Pt2 Pt1 N2 C6 -14.4(6) . . . . ?
O1 Pt2 N5 C11' -171.0(15) . . . . ?
N6 Pt2 N5 C11' 14.1(15) . . . . ?
O4 Pt2 N5 C11' 98.6(15) . . . . ?
Pt1 Pt2 N5 C11' -90.2(15) . . . . ?
O1 Pt2 N5 C11 155.3(11) . . . . ?
N6 Pt2 N5 C11 -19.7(11) . . . . ?
O4 Pt2 N5 C11 64.9(11) . . . . ?
Pt1 Pt2 N5 C11 -123.9(11) . . . . ?
O2 Pt2 N6 C12 -173.2(7) . . . . ?
N5 Pt2 N6 C12 0.5(7) . . . . ?
O4 Pt2 N6 C12 -84.3(7) . . . . ?
Pt1 Pt2 N6 C12 105.5(7) . . . . ?
O2 Pt2 O1 C1 -91.3(7) . . . . ?
N5 Pt2 O1 C1 95.2(8) . . . . ?
O4 Pt2 O1 C1 179.4(8) . . . . ?
Pt1 Pt2 O1 C1 -10.6(7) . . . . ?
O1 Pt2 O2 C6 67.1(7) . . . . ?
N6 Pt2 O2 C6 -118.3(7) . . . . ?
O4 Pt2 O2 C6 157.7(7) . . . . ?
Pt1 Pt2 O2 C6 -13.4(7) . . . . ?
Pt2 O1 C1 N1 4.1(12) . . . . ?
Pt2 O1 C1 C2 -179.3(6) . . . . ?
Pt1 N1 C1 O1 9.6(11) . . . . ?
Pt1 N1 C1 C2 -167.3(6) . . . . ?
O1 C1 C2 C4 -99.6(10) . . . . ?
N1 C1 C2 C4 77.2(10) . . . . ?
O1 C1 C2 C5 140.1(9) . . . . ?
N1 C1 C2 C5 -43.1(11) . . . . ?
O1 C1 C2 C3 20.7(13) . . . . ?
N1 C1 C2 C3 -162.5(9) . . . . ?
Pt2 O2 C6 N2 6.7(12) . . . . ?
Pt2 O2 C6 C7 -168.8(6) . . . . ?
Pt1 N2 C6 O2 9.4(11) . . . . ?
Pt1 N2 C6 C7 -174.8(5) . . . . ?
O2 C6 C7 C10 -10.7(12) . . . . ?
N2 C6 C7 C10 173.5(8) . . . . ?
O2 C6 C7 C9 109.5(10) . . . . ?
N2 C6 C7 C9 -66.2(10) . . . . ?
O2 C6 C7 C8 -131.8(9) . . . . ?
N2 C6 C7 C8 52.4(10) . . . . ?
C11' N5 C11 C12 -65.1(18) . . . . ?
Pt2 N5 C11 C12 37.0(19) . . . . ?
C11' N5 C11 C16 75(3) . . . . ?
Pt2 N5 C11 C16 177.3(16) . . . . ?
C16 C11 C12 N6 -178.9(17) . . . . ?
N5 C11 C12 N6 -39(2) . . . . ?
C16 C11 C12 C13 31(3) . . . . ?
N5 C11 C12 C13 170.5(13) . . . . ?
Pt2 N6 C12 C11 21.0(16) . . . . ?
Pt2 N6 C12 C13 171.3(9) . . . . ?
C11 C12 C13 C14 -38(2) . . . . ?
N6 C12 C13 C14 173.5(13) . . . . ?
C12 C13 C14 C15 48(3) . . . . ?
C13 C14 C15 C16 -53(3) . . . . ?
C12 C11 C16 C15 -34(3) . . . . ?
N5 C11 C16 C15 -171.9(18) . . . . ?
C14 C15 C16 C11 46(3) . . . . ?
C11 N5 C11' C16' -78(3) . . . . ?
Pt2 N5 C11' C16' -166.2(19) . . . . ?
N5 C11' C16' C15' 163(2) . . . . ?
C14' C15' C16' C11' -42(4) . . . . ?
N1 Pt1 C17 C18 -95.8(8) . . . . ?
N2 Pt1 C17 C18 -5.4(8) . . . . ?
N3 Pt1 C17 C18 83.9(8) . . . . ?
N4 Pt1 C17 C18 176.7(8) . . . . ?
Pt2 Pt1 C17 C18 -48.3(18) . . . . ?
Pt1 C17 C18 O3 92.2(15) . . . . ?
Pt1 C17 C18 C19 -88.4(11) . . . . ?
