#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:32:02 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268686 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/30/7243022.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_7243022
loop_
_publ_author_name
'Yoshida, Masaki'
'Makino, Yusuke'
'Sasaki, Toshiyuki'
'Sakamoto, Shunichi'
'Takamizawa, Satoshi'
'Kobayashi, Atsushi'
'Kato, Masako'
_publ_section_title
;
 Elastic deformability and luminescence of crystals of polyhalogenated
 platinum(ii)--bipyridine complexes
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              5891
_journal_page_last               5898
_journal_paper_doi               10.1039/D1CE00459J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C10 H6 Cl4 N2 Pt, 0.333(C H4 O)'
_chemical_formula_sum            'C10.33 H7.33 Cl4 N2 O0.33 Pt'
_chemical_formula_weight         501.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-11-26
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2021-03-28 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_cell_angle_alpha                99.217(2)
_cell_angle_beta                 97.693(2)
_cell_angle_gamma                94.038(2)
_cell_formula_units_Z            6
_cell_length_a                   7.3163(2)
_cell_length_b                   12.5322(4)
_cell_length_c                   22.0934(3)
_cell_measurement_reflns_used    9690
_cell_measurement_temperature    150
_cell_measurement_theta_max      76.1560
_cell_measurement_theta_min      3.5760
_cell_volume                     1972.82(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00 -37.00   0.50    3.69    --  -46.37  60.00 106.00   50
  2  ω     -5.00  24.00   0.50    3.69    --  -46.37  60.00 106.00   58
  3  ω     30.00 118.00   0.50    3.69    --   46.37  60.00 106.00  176
  4  ω     93.00 177.00   0.50    4.14    --  108.56  60.00 106.00  168
  5  ω    135.00 170.00   0.50    4.14    --  108.56  19.00  60.00   70
  6  ω     98.00 125.00   0.50    4.14    --  108.56  19.00  60.00   54
  7  ω     96.00 178.00   0.50    4.14    --  108.56  37.00   0.00  164
  8  ω     88.00 130.00   0.50    4.14    --  108.56 -77.00 120.00   84
  9  ω     60.00 109.00   0.50    4.14    --  108.56 -60.00 -33.00   98
 10  ω     77.00 116.00   0.50    4.14    --  108.56-125.00 -60.00   78
 11  ω     56.00 116.00   0.50    4.14    --  108.56-125.00 -30.00  120
 12  ω     35.00  68.00   0.50    4.14    --  108.56 -37.00  90.00   66
 13  ω     42.00  70.00   0.50    4.14    --  108.56 -19.00 120.00   56
 14  ω     38.00  63.00   0.50    4.14    --  108.56 -37.00 150.00   50
 15  ω     35.00  76.00   0.50    4.14    --  108.56 -19.00  90.00   82
 16  ω     35.00  63.00   0.50    4.14    --  108.56 -19.00  30.00   56
 17  ω     42.00  69.00   0.50    4.14    --  108.56 -37.00   0.00   54
 18  ω     37.00 105.00   0.50    4.14    --  108.56 -99.00 -30.00  136
 19  ω     36.00  67.00   0.50    4.14    --  108.56 -37.00-120.00   62
 20  ω     36.00  68.00   0.50    4.14    --  108.56 -37.00-150.00   64
 21  ω     43.00  69.00   0.50    4.14    --  108.56 -19.00-150.00   52
 22  ω     33.00  58.00   0.50    4.14    --  108.56 -19.00-180.00   50
 23  ω     27.00  63.00   0.50    3.69    --   46.37 -60.00 -33.00   72
 24  ω     41.00  71.00   0.50    4.14    --  108.56-125.00 -60.00   60
 25  ω     41.00 115.00   0.50    4.14    --  108.56-125.00 -90.00  148
 26  ω     39.00 104.00   0.50    4.14    --  108.56 -99.00  30.00  130
 27  ω     58.00 100.00   0.50    4.14    --  108.56 -99.00 120.00   84
 28  ω     54.00 116.00   0.50    4.14    --  108.56-125.00 120.00  124
 29  ω     38.00  99.00   0.50    4.14    --  108.56 -99.00 150.00  122
 30  ω     38.00  65.00   0.50    4.14    --  108.56 -37.00 120.00   54
 31  ω    -21.00  10.00   0.50    3.69    --   46.37 -60.00 -33.00   62
 32  ω    -61.00 -33.00   0.50    3.69    --  -46.37  57.00-150.00   56
 33  ω    -20.00  26.00   0.50    3.69    --  -46.37  57.00-150.00   92
 34  ω     71.00 115.00   0.50    3.69    --   46.37 125.00 -30.00   88
 35  ω    -65.00 -27.00   0.50    4.14    --  -84.50 125.00 -60.00   76
 36  ω    -94.00 -10.00   0.50    3.69    --  -46.37 125.00  60.00  168
 37  ω    -99.00 -11.00   0.50    4.14    --  -84.50  60.00 106.00  176
 38  ω   -109.00 -30.00   0.50    3.69    --  -46.37 -60.00 -33.00  158
 39  ω   -118.00 -91.00   0.50    4.14    --  -84.50-125.00  90.00   54
 40  ω   -153.00-100.00   0.50    4.14    --  -84.50 -60.00 -33.00  106
 41  ω   -155.00-126.00   0.50    4.14    --  -84.50-125.00  90.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0034186000
_diffrn_orient_matrix_UB_12      0.1123917000
_diffrn_orient_matrix_UB_13      0.0405961000
_diffrn_orient_matrix_UB_21      0.1989856000
_diffrn_orient_matrix_UB_22      -0.0102307000
_diffrn_orient_matrix_UB_23      0.0301366000
_diffrn_orient_matrix_UB_31      0.0770817000
_diffrn_orient_matrix_UB_32      0.0539505000
_diffrn_orient_matrix_UB_33      -0.0504462000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24125
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.744
_diffrn_reflns_theta_min         2.048
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    27.293
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45h (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.534
_exptl_crystal_description       plate
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.378
_refine_diff_density_min         -1.566
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         8060
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0705P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1050
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7050
_reflns_number_total             8060
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00459j3.cif
_cod_data_source_block           1-MeOH
_cod_depositor_comments
'Adding full bibliography for 7243022--7243026.cif.'
_cod_database_code               7243022
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C10H6N2PtCl4
_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_max   0.171
_shelx_estimated_absorpt_t_min   0.045
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C9B(H9B), C10B(H10B), C9A(H9A), C1B(H1B), C7C(H7C), C10A(H10A), C4A(H4A),
 C7B(H7B), C1A(H1A), C4C(H4C), C7A(H7A), C9C(H9C), C4B(H4B), C1C(H1C),
 C10C(H10C), C2A(H2A), C2B(H2B), C2C(H2C)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.535
_oxdiff_exptl_absorpt_empirical_full_min 0.568
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_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
Pt1B Pt 0.85707(3) 0.23064(2) 0.40616(2) 0.02523(9) Uani 1 1 d . . . . .
Pt1A Pt 0.43586(4) 0.25685(2) 0.33009(2) 0.02584(9) Uani 1 1 d . . . . .
Pt1C Pt 0.26018(4) 0.61209(2) 1.00732(2) 0.02975(9) Uani 1 1 d . . . . .
Cl2B Cl 0.8245(2) 0.35792(13) 0.49014(7) 0.0324(3) Uani 1 1 d . . . . .
Cl1A Cl 0.4905(2) 0.44127(13) 0.33704(8) 0.0343(3) Uani 1 1 d . . . . .
Cl4B Cl 1.1179(2) 0.55293(14) 0.22558(8) 0.0376(4) Uani 1 1 d . . . . .
Cl4A Cl 0.3245(3) -0.24893(13) 0.35945(8) 0.0390(4) Uani 1 1 d . . . . .
Cl1B Cl 0.7757(2) 0.09614(14) 0.45933(8) 0.0378(4) Uani 1 1 d . . . . .
Cl3A Cl 0.1766(3) 0.23993(15) 0.59786(7) 0.0408(4) Uani 1 1 d . . . . .
Cl4C Cl 0.3652(3) 0.33617(15) 0.74240(8) 0.0437(4) Uani 1 1 d . . . . .
Cl2A Cl 0.4847(3) 0.23358(14) 0.22827(8) 0.0385(4) Uani 1 1 d . . . . .
Cl1C Cl 0.2172(3) 0.68618(15) 1.10595(9) 0.0435(4) Uani 1 1 d . . . . .
Cl2C Cl 0.2845(3) 0.78295(14) 0.98307(10) 0.0456(4) Uani 1 1 d . . . . .
Cl3B Cl 1.0326(3) -0.07533(16) 0.15867(9) 0.0488(5) Uani 1 1 d . . . . .
Cl3C Cl 0.1880(3) 0.10318(16) 1.03333(10) 0.0505(5) Uani 1 1 d . . . . .
N2C N 0.2946(7) 0.5365(4) 0.9226(2) 0.0249(10) Uani 1 1 d . . . . .
N2B N 0.9379(7) 0.3374(4) 0.3544(2) 0.0253(11) Uani 1 1 d . . . . .
N2A N 0.3928(8) 0.0958(4) 0.3310(2) 0.0283(11) Uani 1 1 d . . . . .
N1A N 0.3720(7) 0.2643(5) 0.4167(2) 0.0284(11) Uani 1 1 d . . . . .
N1C N 0.2411(7) 0.4556(5) 1.0218(3) 0.0287(12) Uani 1 1 d . . . . .
O1 O 0.5546(9) 0.8843(5) 1.1436(3) 0.0542(15) Uani 1 1 d . . . . .
H1 H 0.475334 0.836391 1.125198 0.081 Uiso 1 1 calc R U . . .
N1B N 0.8950(7) 0.1279(5) 0.3296(3) 0.0279(11) Uani 1 1 d . . . . .
C5C C 0.2517(9) 0.3828(5) 0.9718(3) 0.0286(13) Uani 1 1 d . . . . .
C6B C 0.9690(8) 0.2935(5) 0.2968(3) 0.0251(12) Uani 1 1 d . . . . .
C5B C 0.9480(10) 0.1745(6) 0.2831(3) 0.0315(14) Uani 1 1 d . . . . .
C5A C 0.3276(9) 0.1659(5) 0.4321(3) 0.0261(12) Uani 1 1 d . . . . .
C6C C 0.2811(9) 0.4255(5) 0.9159(3) 0.0289(13) Uani 1 1 d . . . . .
C9B C 1.0186(9) 0.5145(6) 0.3342(3) 0.0302(14) Uani 1 1 d . . . . .
H9B H 1.038259 0.589157 0.347733 0.036 Uiso 1 1 calc R U . . .
C10B C 0.9608(9) 0.4470(5) 0.3720(3) 0.0278(13) Uani 1 1 d . . . . .
H10B H 0.936315 0.477076 0.411058 0.033 Uiso 1 1 calc R U . . .
C9A C 0.3915(9) -0.0918(5) 0.2910(3) 0.0301(13) Uani 1 1 d . . . . .
H9A H 0.402393 -0.146365 0.258103 0.036 Uiso 1 1 calc R U . . .
C1B C 0.8743(10) 0.0186(5) 0.3220(3) 0.0332(14) Uani 1 1 d . . . . .
H1B H 0.833255 -0.014403 0.353152 0.040 Uiso 1 1 calc R U . . .
C7C C 0.3048(9) 0.3623(6) 0.8612(3) 0.0311(14) Uani 1 1 d . . . . .
H7C H 0.295954 0.286999 0.857036 0.037 Uiso 1 1 calc R U . . .
C10A C 0.4179(9) 0.0157(6) 0.2860(3) 0.0317(14) Uani 1 1 d . . . . .
H10A H 0.454685 0.033581 0.249898 0.038 Uiso 1 1 calc R U . . .
C4A C 0.2702(9) 0.1575(5) 0.4883(3) 0.0300(13) Uani 1 1 d . . . . .
H4A H 0.239757 0.089790 0.498393 0.036 Uiso 1 1 calc R U . . .
C7B C 1.0241(9) 0.3604(6) 0.2565(3) 0.0318(14) Uani 1 1 d . . . . .
H7B H 1.044879 0.330254 0.217044 0.038 Uiso 1 1 calc R U . . .
C1A C 0.3623(10) 0.3527(6) 0.4574(3) 0.0360(15) Uani 1 1 d . . . . .
H1A H 0.395116 0.419745 0.447016 0.043 Uiso 1 1 calc R U . . .
C6A C 0.3441(9) 0.0708(5) 0.3851(3) 0.0259(12) Uani 1 1 d . . . . .
C3A C 0.2591(8) 0.2504(6) 0.5290(3) 0.0299(14) Uani 1 1 d . . . . .
C8A C 0.3473(9) -0.1169(5) 0.3474(3) 0.0298(13) Uani 1 1 d . . . . .
C4C C 0.2346(9) 0.2716(5) 0.9735(3) 0.0305(14) Uani 1 1 d . . . . .
H4C H 0.239728 0.220407 0.938419 0.037 Uiso 1 1 calc R U . . .
C7A C 0.3196(10) -0.0342(5) 0.3938(3) 0.0315(14) Uani 1 1 d . . . . .
H7A H 0.284618 -0.050015 0.430517 0.038 Uiso 1 1 calc R U . . .
C8B C 1.0473(9) 0.4695(5) 0.2751(3) 0.0302(13) Uani 1 1 d . . . . .
C8C C 0.3418(9) 0.4128(6) 0.8125(3) 0.0287(13) Uani 1 1 d . . . . .
C9C C 0.3613(10) 0.5253(6) 0.8195(3) 0.0341(15) Uani 1 1 d . . . . .
H9C H 0.391426 0.560103 0.787484 0.041 Uiso 1 1 calc R U . . .
C4B C 0.9884(9) 0.1139(5) 0.2290(3) 0.0310(14) Uani 1 1 d . . . . .
H4B H 1.026476 0.147728 0.197692 0.037 Uiso 1 1 calc R U . . .
C3B C 0.9705(10) 0.0028(6) 0.2230(3) 0.0378(16) Uani 1 1 d . . . . .
C1C C 0.2171(10) 0.4236(6) 1.0754(3) 0.0353(15) Uani 1 1 d . . . . .
H1C H 0.209471 0.475935 1.109702 0.042 Uiso 1 1 calc R U . . .
C3C C 0.2094(10) 0.2402(6) 1.0301(3) 0.0343(15) Uani 1 1 d . . . . .
C10C C 0.3346(10) 0.5830(6) 0.8751(3) 0.0350(15) Uani 1 1 d . . . . .
H10C H 0.344733 0.658372 0.879999 0.042 Uiso 1 1 calc R U . . .
C2A C 0.3061(9) 0.3506(6) 0.5143(3) 0.0328(14) Uani 1 1 d . . . . .
H2A H 0.300113 0.414308 0.541735 0.039 Uiso 1 1 calc R U . . .
C2B C 0.9122(11) -0.0455(6) 0.2693(4) 0.0387(16) Uani 1 1 d . . . . .
H2B H 0.898266 -0.120748 0.265250 0.046 Uiso 1 1 calc R U . . .
C2C C 0.2035(10) 0.3165(7) 1.0815(3) 0.0390(16) Uani 1 1 d . . . . .
H2C H 0.190651 0.296086 1.119504 0.047 Uiso 1 1 calc R U . . .
C11 C 0.5455(14) 0.9753(7) 1.1146(4) 0.056(2) Uani 1 1 d . . . . .
H11A H 0.538099 0.953015 1.070625 0.085 Uiso 1 1 calc R U . . .
H11B H 0.654380 1.024558 1.129831 0.085 Uiso 1 1 calc R U . . .
H11C H 0.437637 1.010901 1.123361 0.085 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
Cl1B Pt1B Cl2B 89.38(6) . . ?
N2B Pt1B Cl2B 95.75(16) . . ?
N2B Pt1B Cl1B 174.61(16) . . ?
N2B Pt1B N1B 80.0(2) . . ?
N1B Pt1B Cl2B 175.65(16) . . ?
N1B Pt1B Cl1B 94.88(16) . . ?
Cl1A Pt1A Cl2A 89.71(6) . . ?
N2A Pt1A Cl1A 175.64(16) . . ?
N2A Pt1A Cl2A 94.31(15) . . ?
N1A Pt1A Cl1A 95.05(17) . . ?
N1A Pt1A Cl2A 174.00(16) . . ?
N1A Pt1A N2A 81.0(2) . . ?
Cl2C Pt1C Cl1C 89.36(7) . . ?
N2C Pt1C Cl1C 175.84(16) . . ?
N2C Pt1C Cl2C 94.78(16) . . ?
N2C Pt1C N1C 80.6(2) . . ?
N1C Pt1C Cl1C 95.21(16) . . ?
N1C Pt1C Cl2C 175.43(16) . . ?
C6C N2C Pt1C 114.2(4) . . ?
C10C N2C Pt1C 127.1(4) . . ?
C10C N2C C6C 118.7(5) . . ?
C6B N2B Pt1B 115.3(4) . . ?
C6B N2B C10B 119.0(5) . . ?
C10B N2B Pt1B 125.6(4) . . ?
C10A N2A Pt1A 126.0(4) . . ?
C10A N2A C6A 119.3(6) . . ?
C6A N2A Pt1A 114.6(4) . . ?
C5A N1A Pt1A 114.2(4) . . ?
C1A N1A Pt1A 127.2(5) . . ?
C1A N1A C5A 118.5(6) . . ?
C5C N1C Pt1C 114.0(4) . . ?
C5C N1C C1C 120.4(6) . . ?
C1C N1C Pt1C 125.5(5) . . ?
C11 O1 H1 109.5 . . ?
C5B N1B Pt1B 116.0(4) . . ?
C1B N1B Pt1B 125.7(5) . . ?
C1B N1B C5B 118.3(6) . . ?
N1C C5C C6C 116.5(6) . . ?
N1C C5C C4C 121.1(6) . . ?
C4C C5C C6C 122.5(6) . . ?
N2B C6B C5B 115.0(5) . . ?
N2B C6B C7B 120.3(6) . . ?
C7B C6B C5B 124.7(6) . . ?
N1B C5B C6B 113.7(6) . . ?
N1B C5B C4B 122.3(6) . . ?
C4B C5B C6B 123.9(6) . . ?
N1A C5A C4A 121.3(6) . . ?
N1A C5A C6A 115.8(5) . . ?
C4A C5A C6A 123.0(6) . . ?
N2C C6C C5C 114.6(6) . . ?
N2C C6C C7C 121.2(6) . . ?
C7C C6C C5C 124.1(6) . . ?
C10B C9B H9B 120.7 . . ?
C10B C9B C8B 118.6(6) . . ?
C8B C9B H9B 120.7 . . ?
N2B C10B C9B 122.1(6) . . ?
N2B C10B H10B 118.9 . . ?
C9B C10B H10B 118.9 . . ?
C10A C9A H9A 121.1 . . ?
C10A C9A C8A 117.8(6) . . ?
C8A C9A H9A 121.1 . . ?
N1B C1B H1B 119.1 . . ?
N1B C1B C2B 121.9(7) . . ?
C2B C1B H1B 119.1 . . ?
C6C C7C H7C 120.7 . . ?
C6C C7C C8C 118.7(6) . . ?
C8C C7C H7C 120.7 . . ?
N2A C10A C9A 122.5(6) . . ?
N2A C10A H10A 118.7 . . ?
C9A C10A H10A 118.7 . . ?
C5A C4A H4A 120.7 . . ?
C3A C4A C5A 118.7(6) . . ?
C3A C4A H4A 120.7 . . ?
C6B C7B H7B 120.1 . . ?
C8B C7B C6B 119.8(6) . . ?
C8B C7B H7B 120.1 . . ?
N1A C1A H1A 118.3 . . ?
N1A C1A C2A 123.4(7) . . ?
C2A C1A H1A 118.3 . . ?
N2A C6A C5A 114.3(6) . . ?
C7A C6A N2A 121.3(6) . . ?
C7A C6A C5A 124.4(6) . . ?
C4A C3A Cl3A 118.6(5) . . ?
C4A C3A C2A 120.6(6) . . ?
C2A C3A Cl3A 120.7(5) . . ?
C9A C8A Cl4A 121.1(5) . . ?
C7A C8A Cl4A 119.3(5) . . ?
C7A C8A C9A 119.6(6) . . ?
C5C C4C H4C 121.3 . . ?
C5C C4C C3C 117.4(6) . . ?
C3C C4C H4C 121.3 . . ?
C6A C7A C8A 119.3(6) . . ?
C6A C7A H7A 120.3 . . ?
C8A C7A H7A 120.3 . . ?
C9B C8B Cl4B 119.8(5) . . ?
C7B C8B Cl4B 120.0(5) . . ?
C7B C8B C9B 120.2(6) . . ?
C7C C8C Cl4C 120.0(5) . . ?
C7C C8C C9C 120.5(6) . . ?
C9C C8C Cl4C 119.5(5) . . ?
C8C C9C H9C 121.2 . . ?
C10C C9C C8C 117.6(6) . . ?
C10C C9C H9C 121.2 . . ?
C5B C4B H4B 120.9 . . ?
C3B C4B C5B 118.2(7) . . ?
C3B C4B H4B 120.9 . . ?
C4B C3B Cl3B 119.7(6) . . ?
C2B C3B Cl3B 120.2(6) . . ?
C2B C3B C4B 120.1(7) . . ?
N1C C1C H1C 118.8 . . ?
N1C C1C C2C 122.3(7) . . ?
C2C C1C H1C 118.8 . . ?
C4C C3C Cl3C 118.2(6) . . ?
C2C C3C Cl3C 121.1(5) . . ?
C2C C3C C4C 120.7(7) . . ?
N2C C10C C9C 123.3(6) . . ?
N2C C10C H10C 118.4 . . ?
C9C C10C H10C 118.4 . . ?
C1A C2A H2A 121.3 . . ?
C3A C2A C1A 117.5(6) . . ?
C3A C2A H2A 121.3 . . ?
C1B C2B H2B 120.4 . . ?
C3B C2B C1B 119.2(7) . . ?
C3B C2B H2B 120.4 . . ?
C1C C2C C3C 118.1(6) . . ?
C1C C2C H2C 121.0 . . ?
C3C C2C H2C 121.0 . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
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
Pt1B Cl2B 2.2951(15) . ?
Pt1B Cl1B 2.2924(16) . ?
Pt1B N2B 2.001(5) . ?
Pt1B N1B 2.018(6) . ?
Pt1A Cl1A 2.2945(16) . ?
Pt1A Cl2A 2.3006(16) . ?
Pt1A N2A 2.025(6) . ?
Pt1A N1A 2.020(5) . ?
Pt1C Cl1C 2.2990(17) . ?
Pt1C Cl2C 2.2898(18) . ?
Pt1C N2C 2.014(5) . ?
Pt1C N1C 2.035(6) . ?
Cl4B C8B 1.732(6) . ?
Cl4A C8A 1.718(7) . ?
Cl3A C3A 1.732(6) . ?
Cl4C C8C 1.722(7) . ?
Cl3B C3B 1.725(7) . ?
Cl3C C3C 1.727(7) . ?
N2C C6C 1.370(8) . ?
N2C C10C 1.336(9) . ?
N2B C6B 1.359(8) . ?
N2B C10B 1.359(8) . ?
N2A C10A 1.337(8) . ?
N2A C6A 1.367(8) . ?
N1A C5A 1.359(8) . ?
N1A C1A 1.322(9) . ?
N1C C5C 1.330(9) . ?
N1C C1C 1.340(9) . ?
O1 H1 0.8200 . ?
O1 C11 1.397(11) . ?
N1B C5B 1.348(9) . ?
N1B C1B 1.348(9) . ?
C5C C6C 1.456(9) . ?
C5C C4C 1.398(9) . ?
C6B C5B 1.467(9) . ?
C6B C7B 1.395(9) . ?
C5B C4B 1.387(9) . ?
C5A C4A 1.381(9) . ?
C5A C6A 1.474(9) . ?
C6C C7C 1.374(9) . ?
C9B H9B 0.9300 . ?
C9B C10B 1.366(9) . ?
C9B C8B 1.385(9) . ?
C10B H10B 0.9300 . ?
C9A H9A 0.9300 . ?
C9A C10A 1.372(10) . ?
C9A C8A 1.406(9) . ?
C1B H1B 0.9300 . ?
C1B C2B 1.376(10) . ?
C7C H7C 0.9300 . ?
C7C C8C 1.380(9) . ?
C10A H10A 0.9300 . ?
C4A H4A 0.9300 . ?
C4A C3A 1.366(9) . ?
C7B H7B 0.9300 . ?
C7B C8B 1.355(10) . ?
C1A H1A 0.9300 . ?
C1A C2A 1.378(10) . ?
C6A C7A 1.362(9) . ?
C3A C2A 1.377(10) . ?
C8A C7A 1.381(9) . ?
C4C H4C 0.9300 . ?
C4C C3C 1.400(9) . ?
C7A H7A 0.9300 . ?
C8C C9C 1.389(10) . ?
C9C H9C 0.9300 . ?
C9C C10C 1.368(10) . ?
C4B H4B 0.9300 . ?
C4B C3B 1.373(10) . ?
C3B C2B 1.369(11) . ?
C1C H1C 0.9300 . ?
C1C C2C 1.368(11) . ?
C3C C2C 1.371(11) . ?
C10C H10C 0.9300 . ?
C2A H2A 0.9300 . ?
C2B H2B 0.9300 . ?
C2C H2C 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 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
_geom_torsion_publ_flag
Pt1B N2B C6B C5B -3.2(7) . . . . ?
Pt1B N2B C6B C7B 179.4(5) . . . . ?
Pt1B N2B C10B C9B 179.2(5) . . . . ?
Pt1B N1B C5B C6B 0.1(7) . . . . ?
Pt1B N1B C5B C4B 176.6(5) . . . . ?
Pt1B N1B C1B C2B -176.7(5) . . . . ?
Pt1A N2A C10A C9A 177.8(5) . . . . ?
Pt1A N2A C6A C5A 1.4(7) . . . . ?
Pt1A N2A C6A C7A -176.7(5) . . . . ?
Pt1A N1A C5A C4A -176.2(5) . . . . ?
Pt1A N1A C5A C6A 3.6(7) . . . . ?
Pt1A N1A C1A C2A 175.7(5) . . . . ?
Pt1C N2C C6C C5C -2.2(7) . . . . ?
Pt1C N2C C6C C7C -178.8(5) . . . . ?
Pt1C N2C C10C C9C 177.9(5) . . . . ?
Pt1C N1C C5C C6C 2.0(8) . . . . ?
Pt1C N1C C5C C4C -177.8(5) . . . . ?
Pt1C N1C C1C C2C 179.3(6) . . . . ?
Cl4A C8A C7A C6A 177.7(5) . . . . ?
Cl3A C3A C2A C1A -177.0(5) . . . . ?
Cl4C C8C C9C C10C 177.5(6) . . . . ?
Cl3B C3B C2B C1B 176.0(6) . . . . ?
Cl3C C3C C2C C1C -178.6(6) . . . . ?
N2C C6C C7C C8C -0.3(10) . . . . ?
N2B C6B C5B N1B 2.0(8) . . . . ?
N2B C6B C5B C4B -174.5(6) . . . . ?
N2B C6B C7B C8B 0.2(10) . . . . ?
N2A C6A C7A C8A 1.0(11) . . . . ?
N1A C5A C4A C3A -0.2(10) . . . . ?
N1A C5A C6A N2A -3.3(8) . . . . ?
N1A C5A C6A C7A 174.7(6) . . . . ?
N1A C1A C2A C3A 0.4(11) . . . . ?
N1C C5C C6C N2C 0.1(9) . . . . ?
N1C C5C C6C C7C 176.6(6) . . . . ?
N1C C5C C4C C3C -1.1(10) . . . . ?
N1C C1C C2C C3C -2.0(12) . . . . ?
N1B C5B C4B C3B 1.0(10) . . . . ?
N1B C1B C2B C3B -0.8(11) . . . . ?
C5C N1C C1C C2C 0.3(11) . . . . ?
C5C C6C C7C C8C -176.5(6) . . . . ?
C5C C4C C3C Cl3C -180.0(5) . . . . ?
C5C C4C C3C C2C -0.5(11) . . . . ?
C6B N2B C10B C9B -1.7(10) . . . . ?
C6B C5B C4B C3B 177.2(6) . . . . ?
C6B C7B C8B Cl4B 179.4(5) . . . . ?
C6B C7B C8B C9B 0.8(11) . . . . ?
C5B N1B C1B C2B 2.4(10) . . . . ?
C5B C6B C7B C8B -176.9(6) . . . . ?
C5B C4B C3B Cl3B -176.1(5) . . . . ?
C5B C4B C3B C2B 0.7(11) . . . . ?
C5A N1A C1A C2A -1.2(11) . . . . ?
C5A C4A C3A Cl3A 177.0(5) . . . . ?
C5A C4A C3A C2A -0.7(10) . . . . ?
C5A C6A C7A C8A -176.9(6) . . . . ?
C6C N2C C10C C9C 0.6(11) . . . . ?
C6C C5C C4C C3C 179.1(6) . . . . ?
C6C C7C C8C Cl4C -178.0(5) . . . . ?
C6C C7C C8C C9C 2.2(10) . . . . ?
C10B N2B C6B C5B 177.6(6) . . . . ?
C10B N2B C6B C7B 0.2(9) . . . . ?
C10B C9B C8B Cl4B 179.2(5) . . . . ?
C10B C9B C8B C7B -2.2(11) . . . . ?
C9A C8A C7A C6A -3.1(11) . . . . ?
C1B N1B C5B C6B -179.1(6) . . . . ?
C1B N1B C5B C4B -2.5(10) . . . . ?
C7C C8C C9C C10C -2.7(11) . . . . ?
C10A N2A C6A C5A 177.7(6) . . . . ?
C10A N2A C6A C7A -0.4(10) . . . . ?
C10A C9A C8A Cl4A -176.3(5) . . . . ?
C10A C9A C8A C7A 4.4(10) . . . . ?
C4A C5A C6A N2A 176.5(6) . . . . ?
C4A C5A C6A C7A -5.5(11) . . . . ?
C4A C3A C2A C1A 0.6(10) . . . . ?
C7B C6B C5B N1B 179.3(6) . . . . ?
C7B C6B C5B C4B 2.9(11) . . . . ?
C1A N1A C5A C4A 1.1(10) . . . . ?
C1A N1A C5A C6A -179.1(6) . . . . ?
C6A N2A C10A C9A 1.9(10) . . . . ?
C6A C5A C4A C3A -180.0(6) . . . . ?
C8A C9A C10A N2A -3.9(11) . . . . ?
C4C C5C C6C N2C 179.9(6) . . . . ?
C4C C5C C6C C7C -3.6(11) . . . . ?
C4C C3C C2C C1C 2.0(11) . . . . ?
C8B C9B C10B N2B 2.7(10) . . . . ?
C8C C9C C10C N2C 1.3(11) . . . . ?
C4B C3B C2B C1B -0.8(11) . . . . ?
C1C N1C C5C C6C -178.9(6) . . . . ?
C1C N1C C5C C4C 1.3(10) . . . . ?
C10C N2C C6C C5C 175.4(6) . . . . ?
C10C N2C C6C C7C -1.2(10) . . . . ?
