#------------------------------------------------------------------------------
#$Date: 2023-06-05 06:28:16 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284167 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/16/7131622.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_7131622
loop_
_publ_author_name
'Sasaki, Kono'
'Saito, Daisuke'
'Yoshida, Masaki'
'Tanaka, Fuka'
'Kobayashi, Atsushi'
'Sada, Kazuki'
'Kato, Masako'
_publ_section_title
;
 Chromic triboluminescence of self-assembled platinum(II) complexes.
;
_journal_issue                   44
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6745
_journal_page_last               6748
_journal_paper_doi               10.1039/d3cc01525d
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C14 H15 N5 Pt'
_chemical_formula_sum            'C14 H15 N5 Pt'
_chemical_formula_weight         448.40
_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             2023-04-18
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_audit_update_record
;
2023-04-21 deposited with the CCDC.	2023-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                89.036(2)
_cell_angle_beta                 86.526(2)
_cell_angle_gamma                89.720(2)
_cell_formula_units_Z            2
_cell_length_a                   7.0539(2)
_cell_length_b                   9.1957(2)
_cell_length_c                   11.0803(2)
_cell_measurement_reflns_used    13685
_cell_measurement_temperature    150
_cell_measurement_theta_max      77.4910
_cell_measurement_theta_min      3.9770
_cell_volume                     717.30(3)
_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 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-024 (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 0.986
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00 -85.00   0.50    0.87    --  -46.37-144.00 -35.00   50
  2  ω   -123.00 -75.00   0.50    0.64    --  -84.50-144.00 -35.00   96
  3  ω   -102.00 -60.00   0.50    0.64    --  -84.50 -82.00  -4.70   84
  4  ω    -79.00 -53.00   0.50    0.64    --  -76.00 -74.00  11.34   52
  5  ω    -71.00 -32.00   0.50    0.87    --  -46.37 -19.00  60.00   78
  6  ω    -87.00 -62.00   0.50    0.64    --  -84.00 -72.00 121.11   50
  7  ω    -91.00 -58.00   0.50    0.64    --  -80.00 -74.00 164.16   66
  8  ω    -89.00 -64.00   0.50    0.64    --  -84.50 -68.00  94.82   50
  9  ω    -92.00 -61.00   0.50    0.64    --  -84.50 -77.00 150.00   62
 10  ω   -104.00 -78.00   0.50    0.87    --  -46.37-126.00 133.00   52
 11  ω   -101.00 -59.00   0.50    0.64    --  -84.50 -81.00  84.74   84
 12  ω    -99.00 -73.00   0.50    0.87    --  -46.37 -19.00  60.00   52
 13  ω    -92.00 -45.00   0.50    0.87    --  -64.00 -70.00 -19.02   94
 14  ω    -81.00 -51.00   0.50    0.64    --  -72.00 -69.00 -70.24   60
 15  ω    -81.00 -56.00   0.50    0.64    --  -68.00 -62.00-117.17   50
 16  ω    -87.00 -62.00   0.50    0.64    --  -84.50 -73.00 -74.80   50
 17  ω    -92.00 -61.00   0.50    0.64    --  -84.50 -77.00-137.68   62
 18  ω    -92.00 -61.00   0.50    0.64    --  -84.50 -77.00-180.00   62
 19  ω    -86.00 -61.00   0.50    0.64    --  -84.50 -75.00-129.18   50
 20  ω    -96.00 -63.00   0.50    0.64    --  -84.50 -77.00-150.00   66
 21  ω   -109.00 -62.00   0.50    0.64    --  -84.50 -75.00-113.72   94
 22  ω    -98.00 -65.00   0.50    0.64    --  -84.50 -71.00  -6.71   66
 23  ω    -91.00 -62.00   0.50    0.64    --  -84.50 -74.00  13.29   58
 24  ω    -96.00 -61.00   0.50    0.64    --  -84.50 -77.00  60.00   70
 25  ω   -138.00-113.00   0.50    0.64    --  -84.50-126.00 133.00   50
 26  ω   -149.00-123.00   0.50    0.64    --  -84.50 -82.00  -4.70   52
 27  ω   -157.00-114.00   0.50    0.64    --  -84.50 -75.00-113.72   86
 28  ω   -149.00-109.00   0.50    0.64    --  -84.50 -77.00-137.68   80
 29  ω     -9.00  22.00   0.50    0.87    --   24.00  98.00 -73.61   62
 30  ω     33.00  66.00   0.50    0.87    --   46.37  57.00 -60.00   66
 31  ω     75.00 116.00   0.50    0.87    --   46.37  57.00 -60.00   82
 32  ω    112.00 153.00   0.50    0.64    --   80.00  72.00 -25.60   82
 33  ω    151.00 176.00   0.50    0.64    --  108.56  57.00   0.00   50
 34  ω    133.00 165.00   0.50    0.64    --  108.56 125.00   0.00   64
 35  ω    123.00 176.00   0.50    0.64    --  108.56  77.00  60.00  106
 36  ω    136.00 162.00   0.50    0.64    --  108.56  77.00  90.00   52
 37  ω    130.00 156.00   0.50    0.64    --  108.56  37.00 150.00   52
 38  ω    100.00 125.00   0.50    0.87    --   68.00  77.00  53.27   50
 39  ω    112.00 138.00   0.50    0.64    --   88.00  75.00 -35.49   52
 40  ω    114.00 177.00   0.50    0.64    --  108.56  77.00   0.00  126
 41  ω     97.00 145.00   0.50    0.64    --  108.56  37.00 -60.00   96
 42  ω     93.00 145.00   0.50    0.64    --  108.56  57.00   0.00  104
 43  ω     81.00 106.00   0.50    0.87    --   46.37 144.00  18.00   50
 44  ω     58.00  83.00   0.50    0.64    --   80.00  72.00 -25.60   50
 45  ω     66.00 111.00   0.50    0.64    --   88.00  75.00 -35.49   90
 46  ω     87.00 153.00   0.50    0.64    --  108.56  77.00 -90.00  132
 47  ω     91.00 118.00   0.50    0.64    --  108.56 144.00  18.00   54
 48  ω     72.00 157.00   0.50    0.64    --  108.56 125.00 -90.00  170
 49  ω     87.00 112.00   0.50    0.87    --   56.00  72.00-174.08   50
 50  ω     70.00  95.00   0.50    0.87    --   46.37 126.00-150.00   50
 51  ω     42.00  68.00   0.50    0.87    --   64.00  74.00-133.54   52
 52  ω     79.00 104.00   0.50    0.64    --  108.56 126.00-150.00   50
 53  ω     91.00 178.00   0.50    0.64    --  108.56  77.00-120.00  174
 54  ω     86.00 144.00   0.50    0.64    --  108.56  77.00-150.00  116
 55  ω     91.00 178.00   0.50    0.64    --  108.56  77.00-180.00  174
 56  ω     71.00 120.00   0.50    0.64    --  108.56 125.00   0.00   98
 57  ω     86.00 119.00   0.50    0.64    --  108.56  77.00  60.00   66
 58  ω     98.00 156.00   0.50    0.64    --  108.56  37.00 120.00  116
 59  ω     99.00 176.00   0.50    0.64    --  108.56  57.00 150.00  154
 60  ω     97.00 123.00   0.50    0.64    --  108.56  37.00 150.00   52
 61  ω     85.00 117.00   0.50    0.64    --  108.56  77.00  90.00   64
 62  ω     78.00 104.00   0.50    0.87    --   46.37  57.00 150.00   52
 63  ω     34.00  65.00   0.50    0.87    --   46.37  57.00 150.00   62
 64  ω     39.00  74.00   0.50    0.87    --   46.37  37.00 120.00   70
 65  ω     37.00  71.00   0.50    0.87    --   60.00  79.00 109.65   68
 66  ω     40.00  69.00   0.50    0.87    --   64.00  77.00  72.60   58
 67  ω     45.00  71.00   0.50    0.87    --   68.00  77.00  53.27   52
 68  ω     27.00  52.00   0.50    0.87    --   52.00  80.00  34.81   50
 69  ω     33.00  59.00   0.50    0.87    --   56.00  79.00  50.63   52
 70  ω     23.00  48.00   0.50    0.87    --   46.37  77.00   0.00   50
 71  ω     38.00  64.00   0.50    0.87    --   60.00  76.00 -28.22   52
 72  ω     37.00  63.00   0.50    0.87    --   60.00  78.00 -57.51   52
 73  ω     34.00  84.00   0.50    0.87    --   56.00  77.00 -86.14  100
 74  ω     34.00  65.00   0.50    0.87    --   56.00  72.00-174.08   62
 75  ω     36.00  65.00   0.50    0.87    --   60.00  80.00-132.32   58
 76  ω     16.00  41.00   0.50    0.87    --   44.00  90.00-158.71   50
 77  ω     15.00  40.00   0.50    0.87    --   44.00  88.00  37.51   50
 78  ω     26.00  54.00   0.50    0.87    --   52.00  82.00 122.66   56
 79  ω     37.00  69.00   0.50    0.64    --  108.56 -19.00 120.00   64
 80  ω     43.00  68.00   0.50    0.64    --  108.56 -37.00 150.00   50
 81  ω     16.00  92.00   0.50    0.87    --   46.37-126.00 133.00  152
 82  ω     92.00 117.00   0.50    0.64    --  108.56-126.00 133.00   50
 83  ω     58.00  87.00   0.50    0.64    --  108.56-126.00 133.00   58
 84  ω     73.00 104.00   0.50    0.64    --  108.56 -99.00 -30.00   62
 85  ω     94.00 132.00   0.50    0.64    --  108.56 -77.00 -60.00   76
 86  ω     75.00 130.00   0.50    0.64    --  108.56-144.00 -35.00  110
 87  ω     63.00  88.00   0.50    0.64    --  108.56 -77.00 -60.00   50
 88  ω     85.00 111.00   0.50    0.64    --  108.56 -57.00 -60.00   52
 89  ω     65.00 113.00   0.50    0.64    --  108.56-125.00-180.00   96
 90  ω     44.00 108.00   0.50    0.64    --  108.56 -99.00-180.00  128
 91  ω     37.00  76.00   0.50    0.64    --  108.56 -57.00 -60.00   78
 92  ω     41.00  66.00   0.50    0.64    --  108.56 -99.00 -30.00   50
 93  ω    -95.00 -48.00   0.50    0.87    --  -46.37 126.00-150.00   94
 94  ω    -38.00 -13.00   0.50    0.64    --  -84.50 126.00-150.00   50
 95  ω    -70.00 -45.00   0.50    0.87    --  -46.37 144.00  18.00   50
 96  ω   -121.00 -95.00   0.50    0.64    --  -84.50 144.00  18.00   52
 97  ω    -38.00 -13.00   0.50    0.87    --   12.00 131.00 163.89   50
;
_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      0.0106720000
_diffrn_orient_matrix_UB_12      0.0166358000
_diffrn_orient_matrix_UB_13      0.1375368000
_diffrn_orient_matrix_UB_21      0.0734455000
_diffrn_orient_matrix_UB_22      0.1565327000
_diffrn_orient_matrix_UB_23      -0.0203284000
_diffrn_orient_matrix_UB_31      -0.2058303000
_diffrn_orient_matrix_UB_32      0.0574063000
_diffrn_orient_matrix_UB_33      0.0088409000
_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  0.0438
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17206
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.086
_diffrn_reflns_theta_min         3.998
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    18.272
_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45h (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_description       plate
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.741
_refine_diff_density_min         -2.145
_refine_diff_density_rms         0.291
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2805
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0362
_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)+(0.0825P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.0970
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2696
_reflns_number_total             2805
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01525d6.cif
_cod_data_source_block           20201005-iprimmepy_et2o
_cod_depositor_comments
'Adding full bibliography for 7131620--7131623.cif.'
_cod_database_code               7131622
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Pt O C N H'
_chemical_oxdiff_usercomment     150K
_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   0.462
_shelx_estimated_absorpt_t_min   0.262
_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
2.a Ternary CH refined with riding coordinates:
 C12(H12)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C3(H3), C7(H7), C10(H10), C11(H11)
2.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
;
_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 2.239
_oxdiff_exptl_absorpt_empirical_full_min 0.702
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
Pt1 Pt 0.70337(3) 0.52124(2) 0.56032(2) 0.02199(12) Uani 1 1 d . . . . .
N3 N 0.7912(7) 0.3932(5) 0.4164(4) 0.0226(9) Uani 1 1 d . . . . .
N4 N 0.7052(6) 0.2124(4) 0.5518(4) 0.0246(8) Uani 1 1 d . . . . .
N5 N 0.5850(8) 0.2513(5) 0.7309(4) 0.0285(10) Uani 1 1 d . . . . .
C9 C 0.6535(8) 0.3217(6) 0.6296(5) 0.0240(11) Uani 1 1 d . . . . .
C2 C 0.7762(9) 0.7024(6) 0.4701(6) 0.0263(13) Uani 1 1 d . . . . .
C8 C 0.7828(8) 0.2488(6) 0.4362(5) 0.0227(11) Uani 1 1 d . . . . .
N2 N 0.8276(9) 0.8013(6) 0.4107(5) 0.0375(12) Uani 1 1 d . . . . .
N1 N 0.5800(7) 0.7146(5) 0.7800(4) 0.0353(10) Uani 1 1 d . . . . .
C1 C 0.6252(10) 0.6401(7) 0.7010(6) 0.0286(13) Uani 1 1 d . . . . .
C4 C 0.9284(8) 0.3449(6) 0.2184(5) 0.0300(11) Uani 1 1 d . . . . .
H4 H 0.975325 0.381738 0.141754 0.036 Uiso 1 1 calc R U . . .
C3 C 0.8706(8) 0.4392(6) 0.3079(5) 0.0230(11) Uani 1 1 d . . . . .
H3 H 0.886719 0.540632 0.293487 0.028 Uiso 1 1 calc R U . . .
C7 C 0.8417(8) 0.1468(5) 0.3519(5) 0.0283(11) Uani 1 1 d . . . . .
H7 H 0.830223 0.045750 0.370102 0.034 Uiso 1 1 calc R U . . .
C10 C 0.6699(8) 0.0760(5) 0.6046(5) 0.0301(11) Uani 1 1 d . . . . .
H10 H 0.694253 -0.015965 0.568881 0.036 Uiso 1 1 calc R U . . .
C5 C 0.9185(8) 0.1951(5) 0.2395(5) 0.0287(10) Uani 1 1 d . . . . .
C11 C 0.5950(8) 0.1011(6) 0.7157(5) 0.0329(11) Uani 1 1 d . . . . .
H11 H 0.555376 0.029181 0.774335 0.039 Uiso 1 1 calc R U . . .
C12 C 0.5193(8) 0.3238(6) 0.8441(4) 0.0336(12) Uani 1 1 d . . . . .
H12 H 0.485543 0.426531 0.823005 0.040 Uiso 1 1 calc R U . . .
C6 C 0.9919(10) 0.0892(6) 0.1472(5) 0.0386(13) Uani 1 1 d . . . . .
H6A H 0.915760 0.096123 0.076187 0.058 Uiso 1 1 calc R U . . .
H6B H 0.983474 -0.009588 0.181556 0.058 Uiso 1 1 calc R U . . .
H6C H 1.124702 0.111588 0.123174 0.058 Uiso 1 1 calc R U . . .
C13 C 0.3422(9) 0.2516(7) 0.9005(5) 0.0447(14) Uani 1 1 d . . . . .
H13A H 0.246085 0.246768 0.840452 0.067 Uiso 1 1 calc R U . . .
H13B H 0.292439 0.308228 0.969639 0.067 Uiso 1 1 calc R U . . .
H13C H 0.373461 0.152955 0.927940 0.067 Uiso 1 1 calc R U . . .
C14 C 0.6791(11) 0.3282(9) 0.9287(6) 0.0554(18) Uani 1 1 d . . . . .
H14A H 0.717778 0.228650 0.948978 0.083 Uiso 1 1 calc R U . . .
H14B H 0.636003 0.378352 1.002755 0.083 Uiso 1 1 calc R U . . .
H14C H 0.787375 0.380299 0.889166 0.083 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'
N N 0.0311 0.0180 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 0 0 0.0272
-1 6 0 0.0137
4 1 0 0.0358
0 -6 0 0.0180
-4 0 2 0.0255
0 4 -5 0.0212
0 -4 5 0.0157
-4 2 1 0.0229
0 -1 -7 0.0250
4 -2 0 0.0286
0 2 7 0.0078
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
C9 Pt1 N3 78.7(2) . . ?
C2 Pt1 N3 92.2(2) . . ?
C2 Pt1 C9 170.7(2) . . ?
C1 Pt1 N3 178.15(17) . . ?
C1 Pt1 C9 100.3(2) . . ?
C1 Pt1 C2 88.7(3) . . ?
C8 N3 Pt1 116.1(4) . . ?
C8 N3 C3 116.8(5) . . ?
C3 N3 Pt1 126.8(4) . . ?
C9 N4 C8 118.9(4) . . ?
C9 N4 C10 111.5(4) . . ?
C10 N4 C8 129.6(4) . . ?
C9 N5 C11 110.5(5) . . ?
C9 N5 C12 124.4(5) . . ?
C11 N5 C12 125.0(5) . . ?
N4 C9 Pt1 113.7(4) . . ?
N5 C9 Pt1 142.2(4) . . ?
N5 C9 N4 104.1(4) . . ?
N2 C2 Pt1 174.3(6) . . ?
N3 C8 N4 112.6(5) . . ?
N3 C8 C7 124.1(5) . . ?
C7 C8 N4 123.3(5) . . ?
N1 C1 Pt1 177.1(6) . . ?
C3 C4 C5 120.2(5) . . ?
N3 C3 C4 122.5(5) . . ?
C8 C7 C5 118.6(5) . . ?
C11 C10 N4 105.8(4) . . ?
C4 C5 C6 121.7(5) . . ?
C7 C5 C4 117.6(5) . . ?
C7 C5 C6 120.6(5) . . ?
C10 C11 N5 108.1(4) . . ?
N5 C12 C13 110.9(5) . . ?
N5 C12 C14 109.7(5) . . ?
C14 C12 C13 113.0(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
Pt1 N3 2.061(5) . ?
Pt1 C9 2.001(5) . ?
Pt1 C2 1.982(6) . ?
Pt1 C1 1.969(6) . ?
N3 C8 1.343(7) . ?
N3 C3 1.356(7) . ?
N4 C9 1.369(7) . ?
N4 C8 1.398(7) . ?
N4 C10 1.392(6) . ?
N5 C9 1.351(7) . ?
N5 C11 1.395(7) . ?
N5 C12 1.479(7) . ?
C2 N2 1.160(9) . ?
C8 C7 1.380(8) . ?
N1 C1 1.149(8) . ?
C4 C3 1.371(8) . ?
C4 C5 1.395(7) . ?
C7 C5 1.395(7) . ?
C10 C11 1.333(8) . ?
C5 C6 1.492(7) . ?
C12 C13 1.514(8) . ?
C12 C14 1.510(9) . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-4.5569 -0.4614 0.0283 -0.0524 -0.4075 0.9117
-1.0309 5.8077 0.1781 0.1101 0.8298 0.5472
4.4793 1.2067 -0.0060 0.0671 0.5180 -0.8527
-0.1765 -5.9656 -0.1716 -0.1247 -0.9433 -0.3076
-4.2174 0.1603 2.3883 0.2861 -0.3332 0.8984
0.0896 4.0774 -5.1514 -0.6397 0.7496 0.1701
0.1948 -4.1571 5.0764 0.6311 -0.7396 -0.2339
-4.2305 2.1093 0.6102 0.0739 0.0071 0.9972
0.0797 -1.4399 -6.9860 -0.9839 -0.0775 -0.1608
4.3225 -1.9404 0.4464 0.0752 0.0047 -0.9972
-0.4788 1.6019 6.8593 0.9649 0.0761 0.2511
