#------------------------------------------------------------------------------
#$Date: 2022-07-03 19:11:05 +0300 (Sun, 03 Jul 2022) $
#$Revision: 276505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/3/00/03/3000396.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_3000396
loop_
_publ_author_name
'Vinci, Doriana'
'Chateigner, Daniel'
_journal_name_full               'Personal communication to COD'
_journal_year                    2022
_chemical_formula_moiety         'C5.00 H15.00 Cl3 N2 O2 Pt1'
_chemical_formula_sum            'C5 H15 Cl3 N2 O2 Pt'
_chemical_formula_weight         436.63
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 108.5780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.4485(4)
_cell_length_b                   13.0070(2)
_cell_length_c                   11.9676(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2574.55(8)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001).'
_computing_data_reduction        'CrysAlis, (Oxford Diffraction, 2002)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            61200
_diffrn_reflns_theta_full        29.542
_diffrn_reflns_theta_max         29.542
_diffrn_reflns_theta_min         1.992
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.499
_exptl_absorpt_correction_T_max  0.24
_exptl_absorpt_correction_T_min  0.00
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamellar
_exptl_crystal_F_000             1632.000
_exptl_crystal_size_max          0.670
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.125
_refine_diff_density_max         1.61
_refine_diff_density_min         -1.02
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1248
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4981
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.0040521
_refine_ls_shift/su_mean         0.0002131
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
_refine_ls_wR_factor_all         0.0519
_refine_ls_wR_factor_gt          0.0254
_refine_ls_wR_factor_ref         0.0246
_reflns_limit_h_max              22
_reflns_limit_h_min              -24
_reflns_limit_k_max              18
_reflns_limit_k_min              0
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                5228
_reflns_number_total             7190
_reflns_threshold_expression     I>2.0σ(I)
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        'C5.00 H15.00 Cl3 N2 O2 Pt1'
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instructions_details_constraints
                                                                   
BLOCK SCALE X'S, U'S 
EQUIV PART(1001, OCC) PART(1002, OCC) 
WEIGHT -1 PART(1002, OCC) 
EQUIV PART(2001, OCC) PART(2002, OCC) 
WEIGHT -1 PART(2002, OCC) 
RIDE C   ( 100,X'S) H   (1002,X'S) H   (1003,X'S) H   (1001,X'S) 
RIDE C   ( 101,X'S) H   (1012,X'S) H   (1013,X'S) H   (1011,X'S) 
RIDE C   (  30,X'S) H   ( 301,X'S) H   ( 303,X'S) H   ( 302,X'S) 
RIDE C   (  31,X'S) H   ( 313,X'S) H   ( 312,X'S) H   ( 311,X'S) 
RIDE C   (  50,X'S) H   ( 501,X'S) H   ( 502,X'S) H   ( 503,X'S) 
RIDE C   (  51,X'S) H   ( 512,X'S) H   ( 511,X'S) H   ( 513,X'S) 
RIDE O   (   1,X'S) H   (   1,X'S) 
RIDE O   (   2,X'S) H   (   2,X'S) 
RIDE O   (   3,X'S) H   (   3,X'S) 
RIDE O   (   4,X'S) H   (   4,X'S) 
RIDE N   (   1,X'S) H   (  10,X'S) H   (  11,X'S) H   (  12,X'S) 
RIDE N   (   2,X'S) H   (  20,X'S) 
RIDE N   (   3,X'S) H   (  30,X'S) H   (  32,X'S) H   (  31,X'S) 
RIDE N   (   4,X'S) H   (  40,X'S) 
RIDE C   (  40,X'S) H   ( 403,X'S) H   ( 402,X'S) H   ( 401,X'S) 
RIDE C   (  41,X'S) H   ( 413,X'S) H   ( 412,X'S) H   ( 411,X'S) 
RIDE C   (  80,X'S) H   ( 803,X'S) H   ( 802,X'S) H   ( 801,X'S) 
RIDE C   (  81,X'S) H   ( 813,X'S) H   ( 812,X'S) H   ( 811,X'S) 
RIDE C   (  90,X'S) H   ( 903,X'S) H   ( 902,X'S) H   ( 901,X'S) 
RIDE C   (  91,X'S) H   ( 913,X'S) H   ( 912,X'S) H   ( 911,X'S) 
END                                                                             
;
_refine_ls_weighting_scheme      calc
_cod_data_source_file            aquo_complex.cif
_cod_data_source_block           aquo-platinum
_cod_depositor_comments
;Releasing structure 3000396 into public domain as personal
 communication to COD.
;
_cod_database_code               3000396
_cod_database_fobs_code          3000396
_iucr_refine_instructions_details_restraints
;
                                                                   
SAME  C(2)  C(50)  C(40)  C(31) AND 
CONT  C(2)  C(51)  C(41)  C(30) 
SIMU  C(2)  C(50)  C(40)  C(31) AND 
CONT  C(2)  C(51)  C(41)  C(30) 
DELU  C(2)  C(50)  C(40)  C(31) AND 
CONT  C(2)  C(51)  C(41)  C(30) 
SAME  C(7)  C(91)  C(80)  C(100)  AND 
CONT    C(7)  C(90)  C(81) C(101) 
SIMU 0.002 C(7)  C(91)  C(80)  C(100)  AND 
CONT    C(7)  C(90)  C(81) C(101) 
DELU 0.002  C(7)  C(91)  C(80)  C(100)  AND 
CONT    C(7)  C(90)  C(81) C(101) 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
H301 H 0.7107 0.0853 0.7909 0.1500 0.707(13) Uiso R . P 1 2 .
H302 H 0.7653 0.0407 0.7205 0.1500 0.707(13) Uiso R . P 1 2 .
H303 H 0.8047 0.0837 0.8494 0.1500 0.707(13) Uiso R . P 1 2 .
H501 H 0.7830 0.0736 0.6304 0.0960 0.293(13) Uiso R . P 1 1 .
H502 H 0.6983 0.0717 0.6490 0.0960 0.293(13) Uiso R . P 1 1 .
H503 H 0.7146 0.1474 0.5575 0.0960 0.293(13) Uiso R . P 1 1 .
H511 H 0.6584 0.1744 0.5976 0.1300 0.707(13) Uiso R . P 1 2 .
H512 H 0.7320 0.1823 0.5495 0.1300 0.707(13) Uiso R . P 1 2 .
H513 H 0.6971 0.2818 0.5893 0.1300 0.707(13) Uiso R . P 1 2 .
H1001 H 0.5694 0.8265 0.9392 0.1210 0.45(3) Uiso R . P 2 1 .
H1002 H 0.4976 0.7555 0.8690 0.1210 0.45(3) Uiso R . P 2 1 .
H1003 H 0.4808 0.8691 0.8976 0.1211 0.45(3) Uiso R . P 2 1 .
H1011 H 0.5349 0.7984 0.9166 0.1500 0.55(3) Uiso R . P 2 2 .
H1012 H 0.4773 0.7377 0.8093 0.1499 0.55(3) Uiso R . P 2 2 .
H1013 H 0.4473 0.8381 0.8531 0.1500 0.55(3) Uiso R . P 2 2 .
H311 H 0.7956 0.0924 0.8625 0.1370 0.293(13) Uiso R . P 1 1 .
H312 H 0.7113 0.1480 0.8456 0.1370 0.293(13) Uiso R . P 1 1 .
H313 H 0.7940 0.2079 0.9057 0.1370 0.293(13) Uiso R . P 1 1 .
H1 H 1.0611 0.2475 0.8513 0.0466 1.0000 Uiso R . . . . .
H2 H 0.9495 0.1617 0.7645 0.0671 1.0000 Uiso R . . . . .
H3 H 0.7605 0.7549 0.6444 0.0590 1.0000 Uiso R . . . . .
H4 H 0.6830 0.8617 0.6786 0.1279 1.0000 Uiso R . . . . .
H30 H 0.8863 0.6567 0.7968 0.0671 1.0000 Uiso R . . . . .
H31 H 0.8893 0.6187 0.9110 0.0672 1.0000 Uiso R . . . . .
H32 H 0.8548 0.5559 0.8081 0.0673 1.0000 Uiso R . . . . .
H10 H 1.1261 0.3785 0.7239 0.0488 1.0000 Uiso R . . . . .
H11 H 1.0814 0.4207 0.6099 0.0491 1.0000 Uiso R . . . . .
H12 H 1.0926 0.4808 0.7142 0.0490 1.0000 Uiso R . . . . .
H20 H 0.8356 0.3574 0.6988 0.0397 1.0000 Uiso R . . . . .
H40 H 0.6161 0.7125 0.8445 0.0639 1.0000 Uiso R . . . . .
C6 C 0.6083(4) 0.8252(6) 0.7529(7) 0.0614 1.0000 Uani . . . . . .
C7 C 0.5302(3) 0.8704(5) 0.7647(6) 0.0884 1.0000 Uani D . . . . .
C100 C 0.5182(14) 0.8244(18) 0.8776(17) 0.0881 0.45(3) Uani D . P 2 1 .
C101 C 0.4931(12) 0.8047(13) 0.8419(18) 0.0888 0.55(3) Uani D . P 2 2 .
C30 C 0.7615(6) 0.0921(7) 0.7764(11) 0.0997 0.707(13) Uani D . P 1 2 .
C31 C 0.7668(14) 0.1575(19) 0.8462(12) 0.0893 0.293(13) Uani D . P 1 1 .
C1 C 0.8507(3) 0.2197(4) 0.7286(4) 0.0322 1.0000 Uani . . . . . .
C2 C 0.7661(2) 0.1967(4) 0.7290(5) 0.0440 1.0000 Uani D . . . . .
C50 C 0.7380(13) 0.1148(15) 0.6325(17) 0.0649 0.293(13) Uani D . P 1 1 .
C51 C 0.7080(5) 0.2098(9) 0.6048(7) 0.0852 0.707(13) Uani D . P 1 2 .
Cl1 Cl 0.95976(9) 0.26987(11) 0.52719(11) 0.0431 1.0000 Uani . . . . . .
Cl2 Cl 1.00656(9) 0.44702(10) 0.87589(11) 0.0396 1.0000 Uani . . . . . .
Cl3 Cl 0.91099(9) 0.50243(10) 0.59741(12) 0.0401 1.0000 Uani . . . . . .
Cl4 Cl 0.80992(9) 0.79329(12) 0.96859(12) 0.0452 1.0000 Uani . . . . . .
Cl5 Cl 0.72940(13) 0.56390(14) 0.94751(18) 0.0675 1.0000 Uani . . . . . .
Cl6 Cl 0.69225(13) 0.57279(17) 0.66060(17) 0.0761 1.0000 Uani . . . . . .
O1 O 1.0373(2) 0.2336(2) 0.7841(3) 0.0319 1.0000 Uani . . . . . .
O2 O 0.9019(2) 0.1444(3) 0.7495(4) 0.0446 1.0000 Uani . . . . . .
O3 O 0.7681(2) 0.7885(3) 0.7043(3) 0.0396 1.0000 Uani . . . . . .
O4 O 0.6394(3) 0.8777(5) 0.6864(6) 0.0851 1.0000 Uani . . . . . .
N1 N 1.0847(3) 0.4179(3) 0.6852(4) 0.0327 1.0000 Uani . . . . . .
N2 N 0.8725(2) 0.3114(3) 0.7099(4) 0.0338 1.0000 Uani . . . . . .
N3 N 0.8605(3) 0.6196(4) 0.8356(5) 0.0450 1.0000 Uani . . . . . .
N4 N 0.6419(3) 0.7438(5) 0.8057(5) 0.0539 1.0000 Uani . . . . . .
Pt1 Pt 0.978876(11) 0.361791(13) 0.698116(15) 0.0239 1.0000 Uani . . . . . .
Pt2 Pt 0.749535(13) 0.681564(17) 0.816439(19) 0.0360 1.0000 Uani . . . . . .
C40 C 0.7073(13) 0.2879(14) 0.693(2) 0.0980 0.293(13) Uani D . P 1 1 .
C41 C 0.7435(6) 0.2770(8) 0.8077(9) 0.0730 0.707(13) Uani D . P 1 2 .
C80 C 0.5354(14) 0.9879(9) 0.778(3) 0.0894 0.45(3) Uani D . P 2 1 .
C81 C 0.5551(11) 0.9757(11) 0.826(2) 0.0895 0.55(3) Uani D . P 2 2 .
C90 C 0.4705(9) 0.882(2) 0.6423(10) 0.0902 0.55(3) Uani D . P 2 2 .
C91 C 0.4614(8) 0.837(2) 0.6562(16) 0.0893 0.45(3) Uani D . P 2 1 .
H403 H 0.6528 0.2631 0.6618 0.1490 0.293(13) Uiso R . P 1 1 .
H402 H 0.7121 0.3298 0.7612 0.1490 0.293(13) Uiso R . P 1 1 .
H401 H 0.7200 0.3284 0.6344 0.1490 0.293(13) Uiso R . P 1 1 .
H413 H 0.6932 0.2582 0.8186 0.1098 0.707(13) Uiso R . P 1 2 .
H412 H 0.7852 0.2802 0.8830 0.1099 0.707(13) Uiso R . P 1 2 .
H411 H 0.7375 0.3431 0.7705 0.1100 0.707(13) Uiso R . P 1 2 .
H803 H 0.4887 1.0134 0.7950 0.1410 0.45(3) Uiso R . P 2 1 .
H802 H 0.5834 1.0109 0.8375 0.1410 0.45(3) Uiso R . P 2 1 .
H801 H 0.5352 1.0132 0.7023 0.1410 0.45(3) Uiso R . P 2 1 .
H813 H 0.5091 1.0036 0.8427 0.1569 0.55(3) Uiso R . P 2 2 .
H812 H 0.5998 0.9704 0.8978 0.1569 0.55(3) Uiso R . P 2 2 .
H811 H 0.5697 1.0195 0.7713 0.1570 0.55(3) Uiso R . P 2 2 .
H903 H 0.4207 0.9077 0.6489 0.1759 0.55(3) Uiso R . P 2 2 .
H902 H 0.4885 0.9262 0.5911 0.1758 0.55(3) Uiso R . P 2 2 .
H901 H 0.4623 0.8135 0.6097 0.1760 0.55(3) Uiso R . P 2 2 .
H913 H 0.4080 0.8690 0.6597 0.1430 0.45(3) Uiso R . P 2 1 .
H912 H 0.4733 0.8580 0.5802 0.1430 0.45(3) Uiso R . P 2 1 .
H911 H 0.4618 0.7583 0.6661 0.1430 0.45(3) Uiso R . P 2 1 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Pt -1.7033 8.3905 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837 38.6103
11.6883 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 . C6 . O4 . 114.5(7) yes
C7 . C6 . N4 . 123.8(7) yes
O4 . C6 . N4 . 121.7(6) yes
C6 . C7 . C100 . 107.6(9) yes
C6 . C7 . C80 . 111.6(9) yes
C100 . C7 . C80 . 108.32(10) yes
C6 . C7 . C91 . 107.2(7) yes
C100 . C7 . C91 . 110.07(10) yes
C80 . C7 . C91 . 112.02(10) yes
C6 . C7 . C101 . 113.4(8) yes
C6 . C7 . C81 . 105.1(8) yes
C101 . C7 . C81 . 108.31(10) yes
C6 . C7 . C90 . 107.9(7) yes
C101 . C7 . C90 . 110.09(10) yes
C81 . C7 . C90 . 112.03(10) yes
C7 . C100 . H1001 . 107.9 no
C7 . C100 . H1002 . 114.6 no
H1001 . C100 . H1002 . 109.5 no
C7 . C100 . H1003 . 106.0 no
H1001 . C100 . H1003 . 109.3 no
H1002 . C100 . H1003 . 109.3 no
C7 . C101 . H1011 . 105.3 no
C7 . C101 . H1012 . 112.3 no
H1011 . C101 . H1012 . 109.6 no
C7 . C101 . H1013 . 111.3 no
H1011 . C101 . H1013 . 109.2 no
H1012 . C101 . H1013 . 109.0 no
H302 . C30 . H303 . 110.1 no
H302 . C30 . H301 . 109.5 no
H303 . C30 . H301 . 109.2 no
H302 . C30 . C2 . 110.2 no
H303 . C30 . C2 . 109.2 no
H301 . C30 . C2 . 108.5 no
H312 . C31 . H313 . 109.9 no
H312 . C31 . H311 . 109.9 no
H313 . C31 . H311 . 109.9 no
H312 . C31 . C2 . 109.0 no
H313 . C31 . C2 . 108.4 no
H311 . C31 . C2 . 109.7 no
C2 . C1 . O2 . 117.8(5) yes
C2 . C1 . N2 . 121.7(5) yes
O2 . C1 . N2 . 120.6(5) yes
C1 . C2 . C31 . 110.9(9) yes
C1 . C2 . C50 . 102.4(9) yes
C31 . C2 . C50 . 112.11(10) yes
C1 . C2 . C40 . 114.4(10) yes
C31 . C2 . C40 . 109.40(10) yes
C50 . C2 . C40 . 107.56(10) yes
C1 . C2 . C30 . 110.8(5) yes
C1 . C2 . C51 . 108.9(5) yes
C30 . C2 . C51 . 112.12(10) yes
C1 . C2 . C41 . 108.0(5) yes
C30 . C2 . C41 . 109.37(10) yes
C51 . C2 . C41 . 107.55(10) yes
C2 . C50 . H502 . 109.3 no
C2 . C50 . H501 . 109.9 no
H502 . C50 . H501 . 109.2 no
C2 . C50 . H503 . 109.7 no
H502 . C50 . H503 . 109.4 no
H501 . C50 . H503 . 109.3 no
C2 . C51 . H513 . 109.1 no
C2 . C51 . H511 . 109.6 no
H513 . C51 . H511 . 109.4 no
C2 . C51 . H512 . 109.3 no
H513 . C51 . H512 . 109.5 no
H511 . C51 . H512 . 109.8 no
H1 . O1 . Pt1 . 109.7 no
C1 . O2 . H2 . 114.9 no
H3 . O3 . Pt2 . 101.5 no
C6 . O4 . H4 . 121.4 no
H10 . N1 . H11 . 109.4 no
H10 . N1 . H12 . 109.3 no
H11 . N1 . H12 . 108.3 no
H10 . N1 . Pt1 . 111.1 no
H11 . N1 . Pt1 . 109.0 no
H12 . N1 . Pt1 . 109.6 no
H20 . N2 . C1 . 115.1 no
H20 . N2 . Pt1 . 115.1 no
C1 . N2 . Pt1 . 129.8(4) yes
H30 . N3 . H32 . 109.3 no
H30 . N3 . H31 . 108.9 no
H32 . N3 . H31 . 109.2 no
H30 . N3 . Pt2 . 110.4 no
H32 . N3 . Pt2 . 109.8 no
H31 . N3 . Pt2 . 109.3 no
H40 . N4 . C6 . 115.3 no
H40 . N4 . Pt2 . 114.9 no
C6 . N4 . Pt2 . 129.7(5) yes
O1 . Pt1 . N1 . 90.71(15) yes
O1 . Pt1 . N2 . 91.24(15) yes
N1 . Pt1 . N2 . 177.93(17) yes
O1 . Pt1 . Cl2 . 90.18(11) yes
N1 . Pt1 . Cl2 . 88.23(13) yes
N2 . Pt1 . Cl2 . 91.08(13) yes
O1 . Pt1 . Cl3 . 178.31(11) yes
N1 . Pt1 . Cl3 . 90.16(13) yes
N2 . Pt1 . Cl3 . 87.90(12) yes
Cl2 . Pt1 . Cl3 . 91.29(5) yes
O1 . Pt1 . Cl1 . 86.10(11) yes
N1 . Pt1 . Cl1 . 89.83(13) yes
N2 . Pt1 . Cl1 . 90.98(13) yes
Cl2 . Pt1 . Cl1 . 175.78(5) yes
Cl3 . Pt1 . Cl1 . 92.46(5) yes
N3 . Pt2 . O3 . 89.96(18) yes
N3 . Pt2 . N4 . 177.4(2) yes
O3 . Pt2 . N4 . 91.4(2) yes
N3 . Pt2 . Cl4 . 88.97(15) yes
O3 . Pt2 . Cl4 . 87.76(11) yes
N4 . Pt2 . Cl4 . 88.81(17) yes
N3 . Pt2 . Cl6 . 89.97(15) yes
O3 . Pt2 . Cl6 . 90.31(12) yes
N4 . Pt2 . Cl6 . 92.29(18) yes
Cl4 . Pt2 . Cl6 . 177.80(6) yes
N3 . Pt2 . Cl5 . 90.34(15) yes
O3 . Pt2 . Cl5 . 178.38(12) yes
N4 . Pt2 . Cl5 . 88.23(17) yes
Cl4 . Pt2 . Cl5 . 90.66(6) yes
Cl6 . Pt2 . Cl5 . 91.28(8) yes
C2 . C40 . H403 . 109.8 no
C2 . C40 . H402 . 109.4 no
H403 . C40 . H402 . 109.2 no
C2 . C40 . H401 . 109.8 no
H403 . C40 . H401 . 109.2 no
H402 . C40 . H401 . 109.4 no
C2 . C41 . H413 . 109.5 no
C2 . C41 . H412 . 109.7 no
H413 . C41 . H412 . 109.7 no
C2 . C41 . H411 . 109.6 no
H413 . C41 . H411 . 108.9 no
H412 . C41 . H411 . 109.5 no
C7 . C80 . H803 . 109.9 no
C7 . C80 . H802 . 113.3 no
H803 . C80 . H802 . 109.4 no
C7 . C80 . H801 . 105.2 no
H803 . C80 . H801 . 109.5 no
H802 . C80 . H801 . 109.5 no
C7 . C81 . H813 . 107.8 no
C7 . C81 . H812 . 112.6 no
H813 . C81 . H812 . 109.5 no
C7 . C81 . H811 . 107.3 no
H813 . C81 . H811 . 109.9 no
H812 . C81 . H811 . 109.7 no
C7 . C90 . H903 . 108.5 no
C7 . C90 . H902 . 114.3 no
H903 . C90 . H902 . 109.3 no
C7 . C90 . H901 . 105.6 no
H903 . C90 . H901 . 109.6 no
H902 . C90 . H901 . 109.4 no
C7 . C91 . H913 . 109.1 no
C7 . C91 . H912 . 110.5 no
H913 . C91 . H912 . 111.5 no
C7 . C91 . H911 . 102.1 no
H913 . C91 . H911 . 111.6 no
H912 . C91 . H911 . 111.6 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
H301 . C30 . 0.959 no
H302 . C30 . 0.963 no
H303 . C30 . 0.961 no
H501 . C50 . 0.959 no
H502 . C50 . 0.960 no
H503 . C50 . 0.958 no
H511 . C51 . 0.959 no
H512 . C51 . 0.958 no
H513 . C51 . 0.961 no
H1001 . C100 . 0.961 no
H1002 . C100 . 0.959 no
H1003 . C100 . 0.959 no
H1011 . C101 . 0.961 no
H1012 . C101 . 0.960 no
H1013 . C101 . 0.955 no
H311 . C31 . 0.971 no
H312 . C31 . 0.974 no
H313 . C31 . 0.973 no
H1 . O1 . 0.799 no
H2 . O2 . 0.822 no
H3 . O3 . 0.813 no
H4 . O4 . 0.822 no
H30 . N3 . 0.885 no
H31 . N3 . 0.883 no
H32 . N3 . 0.885 no
H10 . N1 . 0.887 no
H11 . N1 . 0.885 no
H12 . N1 . 0.882 no
H20 . N2 . 0.858 no
H40 . N4 . 0.848 no
C6 . C7 . 1.531(8) yes
C6 . O4 . 1.294(9) yes
C6 . N4 . 1.276(9) yes
C7 . C100 . 1.552(9) yes
C7 . C80 . 1.536(9) yes
C7 . C91 . 1.524(9) yes
C7 . C101 . 1.544(9) yes
C7 . C81 . 1.548(9) yes
C7 . C90 . 1.510(9) yes
C30 . C2 . 1.486(8) yes
C31 . C2 . 1.489(9) yes
C1 . C2 . 1.509(6) yes
C1 . O2 . 1.295(6) yes
C1 . N2 . 1.293(6) yes
C2 . C50 . 1.532(9) yes
C2 . C40 . 1.537(9) yes
C2 . C51 . 1.518(8) yes
C2 . C41 . 1.540(8) yes
Cl1 . Pt1 . 2.3000(12) yes
Cl2 . Pt1 . 2.3095(12) yes
Cl3 . Pt1 . 2.3005(12) yes
Cl4 . Pt2 . 2.3055(13) yes
Cl5 . Pt2 . 2.2973(17) yes
Cl6 . Pt2 . 2.3003(17) yes
O1 . Pt1 . 2.052(3) yes
O3 . Pt2 . 2.029(4) yes
N1 . Pt1 . 2.036(4) yes
N2 . Pt1 . 2.016(4) yes
N3 . Pt2 . 2.041(5) yes
N4 . Pt2 . 2.011(5) yes
C40 . H403 . 0.961 no
C40 . H402 . 0.960 no
C40 . H401 . 0.959 no
C41 . H413 . 0.960 no
C41 . H412 . 0.962 no
C41 . H411 . 0.958 no
C80 . H803 . 0.960 no
C80 . H802 . 0.960 no
C80 . H801 . 0.961 no
C81 . H813 . 0.959 no
C81 . H812 . 0.962 no
C81 . H811 . 0.961 no
C90 . H903 . 0.960 no
C90 . H902 . 0.964 no
C90 . H901 . 0.963 no
C91 . H913 . 1.033 no
C91 . H912 . 1.033 no
C91 . H911 . 1.031 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
O2 . H2 . O1 . 163.16(16) 0.822 1.746 2.54(2) yes
O4 . H4 . O3 . 154.6(2) 0.822 1.707 2.48(2) yes
N3 . H30 . O1 3_756 172.07(16) 0.885 2.132 3.01(2) yes
N1 . H10 . O3 3_746 171.56(15) 0.887 2.122 3.00(2) yes
N1 . H12 . O2 3_756 168.67(16) 0.882 2.168 3.04(2) yes
C40 . H403 . C101 3_646 141.4(6) 0.961 2.589 3.39(2) yes
