# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bsc-450
_database_code_depnum_ccdc_archive 'CCDC 2102396'
loop_
_audit_author_name
_audit_author_address
'Sergey Baykov'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-10-11 downloaded from the CCDC.
;
_audit_creation_date             2021-04-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H30 Cl N5 O Pt'
_chemical_formula_sum            'C27 H30 Cl N5 O Pt'
_chemical_formula_weight         671.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C27 H30 Cl N5 O Pt '
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.55950(10)
_cell_length_b                   29.0139(4)
_cell_length_c                   11.9767(2)
_cell_angle_alpha                90
_cell_angle_beta                 101.3680(10)
_cell_angle_gamma                90
_cell_volume                     2575.32(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7392
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.2220
_cell_measurement_theta_min      3.0280
_shelx_estimated_absorpt_T_max   0.396
_shelx_estimated_absorpt_T_min   0.209
_exptl_absorpt_coefficient_mu    11.378
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.71a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14904
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.424
_diffrn_reflns_theta_min         3.046
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00 -44.00   0.50    0.20    --  -38.82 120.00 -63.00   76
  2  ω    -78.00 -26.00   0.50    0.20    --  -38.82 155.00  94.00  104
  3  ω     23.00  83.00   0.50    0.20    --   38.82-155.00  55.00  120
  4  ω     20.00  45.00   0.50    0.20    --   38.82-120.00-147.00   50
  5  ω     85.00 115.00   0.50    0.71    --  100.00-155.00  55.00   60
  6  ω     48.00  74.00   0.50    0.71    --  100.00-120.00-147.00   52
  7  ω     95.00 134.00   0.50    0.71    --  100.00 120.00 -63.00   78
  8  ω    -56.00 -23.00   0.50    0.20    --  -38.82  54.00 -60.00   66
  9  ω    -19.00  14.00   0.50    0.20    --  -38.82  54.00 -60.00   66
 10  ω    -63.00 -27.00   0.50    0.20    --  -38.82  77.00-120.00   72
 11  ω     -3.00  27.00   0.50    0.20    --  -38.82  77.00-120.00   60
 12  ω      3.00  29.00   0.50    0.20    --  -38.82  32.00  90.00   52
 13  ω    -44.00 -16.00   0.50    0.20    --  -38.82  32.00  90.00   56
 14  ω    -52.00 -15.00   0.50    0.20    --  -38.82  32.00-180.00   74
 15  ω   -105.00 -35.00   0.50    0.20    --  -38.82 -43.00-180.00  140
 16  ω     21.00  91.00   0.50    0.20    --   38.82-138.00 -30.00  140
 17  ω     33.00 105.00   0.50    0.20    --   38.82  32.00 -60.00  144
 18  ω     70.00 104.00   0.50    0.20    --   38.82  43.00 150.00   68
 19  ω     26.00  56.00   0.50    0.20    --   38.82  32.00  30.00   60
 20  ω     33.00  62.00   0.50    0.20    --   38.82  43.00 150.00   58
 21  ω     26.00  57.00   0.50    0.71    --  100.00 -93.00-150.00   62
 22  ω     57.00  83.00   0.50    0.71    --  100.00 178.00   0.00   52
 23  ω     31.00 114.00   0.50    0.71    --  100.00 -30.00-180.00  166
 24  ω     86.00 113.00   0.50    0.71    --  100.00 -77.00-120.00   54
 25  ω     93.00 119.00   0.50    0.71    --  100.00  77.00 -60.00   52
 26  ω     31.00 107.00   0.50    0.71    --  100.00-111.00  30.00  152
 27  ω    101.00 140.00   0.50    0.71    --  100.00 111.00 -90.00   78
 28  ω     37.00  71.00   0.50    0.71    --  100.00-111.00 -30.00   68
 29  ω     93.00 118.00   0.50    0.71    --  100.00-133.00-180.00   50
 30  ω     80.00 157.00   0.50    0.71    --  100.00  53.00 120.00  154
 31  ω     35.00  62.00   0.50    0.71    --  100.00 -77.00-120.00   54
 32  ω     36.00  94.00   0.50    0.71    --  100.00-133.00 -30.00  116
 33  ω     47.00  77.00   0.50    0.71    --  100.00-133.00-180.00   60
 34  ω     84.00 109.00   0.50    0.71    --  100.00  77.00-180.00   50
 35  ω     88.00 157.00   0.50    0.71    --  100.00  37.00  90.00  138
 36  ω    100.00 139.00   0.50    0.71    --  100.00 178.00   0.00   78
 37  ω     57.00 105.00   0.50    0.71    --  100.00 -93.00 150.00   96
 38  ω     71.00 106.00   0.50    0.71    --  100.00-111.00-120.00   70
 39  ω     85.00 152.00   0.50    0.71    --  100.00  93.00 120.00  134
 40  ω    108.00 153.00   0.50    0.71    --  100.00  77.00-120.00   90
 41  ω     88.00 113.00   0.50    0.71    --  100.00-133.00   0.00   50
 42  ω     54.00  72.50   0.50    0.71    --  100.00 -61.00-180.00   37
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0357665000
_diffrn_orient_matrix_UB_12      0.0140266000
_diffrn_orient_matrix_UB_13      0.1176207000
_diffrn_orient_matrix_UB_21      0.0343847000
_diffrn_orient_matrix_UB_22      0.0508362000
_diffrn_orient_matrix_UB_23      -0.0262335000
_diffrn_orient_matrix_UB_31      -0.2018476000
_diffrn_orient_matrix_UB_32      0.0061524000
_diffrn_orient_matrix_UB_33      -0.0518990000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4399
_reflns_number_total             4890
_reflns_odcompleteness_completeness 98.18
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     70.93
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.159
_refine_diff_density_min         -1.274
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         4890
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0281
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0328P)²+0.9747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0717
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C18(H18), C11(H11), C1(H1), C4(H4), C9(H9), C19(H19), C20(H20),
 C10(H10)
1.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.74744(2) 0.65856(2) 0.35042(2) 0.01556(7) Uani 1 1 d . . . . .
Cl1 Cl 0.93320(12) 0.63063(3) 0.52224(8) 0.02255(19) Uani 1 1 d . . . . .
O1 O 0.6201(4) 0.75190(10) 0.0082(2) 0.0254(6) Uani 1 1 d . . . . .
N1 N 0.8679(4) 0.72187(11) 0.3614(3) 0.0173(6) Uani 1 1 d . . . . .
N4 N 0.5743(4) 0.56291(12) 0.3373(3) 0.0202(7) Uani 1 1 d . . . . .
N2 N 0.6548(4) 0.73321(12) 0.1997(3) 0.0202(7) Uani 1 1 d . . . . .
N3 N 0.4612(4) 0.67594(11) 0.1366(3) 0.0184(6) Uani 1 1 d . . . . .
N5 N 0.4607(4) 0.79259(12) 0.1169(3) 0.0223(7) Uani 1 1 d . . . . .
C16 C 0.5095(5) 0.51752(13) 0.3286(3) 0.0191(8) Uani 1 1 d . . . . .
C6 C 0.5976(5) 0.68740(13) 0.2114(3) 0.0181(7) Uani 1 1 d . . . . .
C15 C 0.6329(5) 0.59961(14) 0.3357(3) 0.0182(8) Uani 1 1 d . . . . .
C7 C 0.3968(5) 0.63072(13) 0.1190(3) 0.0168(7) Uani 1 1 d . . . . .
C12 C 0.4823(5) 0.60039(14) 0.0556(3) 0.0212(8) Uani 1 1 d . . . . .
C5 C 0.7980(5) 0.75123(13) 0.2766(3) 0.0173(7) Uani 1 1 d . . . . .
C17 C 0.3525(5) 0.50754(14) 0.3698(3) 0.0217(8) Uani 1 1 d . . . . .
C2 C 1.0775(5) 0.78047(15) 0.4408(3) 0.0227(8) Uani 1 1 d . . . . .
H2 H 1.176049 0.789674 0.498663 0.027 Uiso 1 1 calc R . . . .
C8 C 0.2342(5) 0.61799(16) 0.1528(3) 0.0217(8) Uani 1 1 d . . . . .
C18 C 0.2902(6) 0.46271(15) 0.3564(3) 0.0247(9) Uani 1 1 d . . . . .
H18 H 0.183672 0.454499 0.382540 0.030 Uiso 1 1 calc R . . . .
C21 C 0.6057(5) 0.48499(14) 0.2778(3) 0.0232(8) Uani 1 1 d . . . . .
C24 C 0.5766(5) 0.75945(13) 0.0987(3) 0.0197(8) Uani 1 1 d . . . . .
C26 C 0.4031(6) 0.82586(16) 0.0255(4) 0.0283(9) Uani 1 1 d . . . . .
H26A H 0.499120 0.848547 0.025397 0.042 Uiso 1 1 calc GR . . . .
H26B H 0.293734 0.841605 0.037514 0.042 Uiso 1 1 calc GR . . . .
H26C H 0.377836 0.809745 -0.047881 0.042 Uiso 1 1 calc GR . . . .
C11 C 0.4057(6) 0.55749(15) 0.0283(3) 0.0254(9) Uani 1 1 d . . . . .
H11 H 0.462282 0.536727 -0.015057 0.030 Uiso 1 1 calc R . . . .
C1 C 1.0052(5) 0.73716(15) 0.4426(3) 0.0217(8) Uani 1 1 d . . . . .
H1 H 1.053845 0.717077 0.503655 0.026 Uiso 1 1 calc R . . . .
C3 C 1.0050(5) 0.81105(14) 0.3530(3) 0.0215(8) Uani 1 1 d . . . . .
C4 C 0.8644(5) 0.79554(14) 0.2695(3) 0.0219(8) Uani 1 1 d . . . . .
H4 H 0.813668 0.815047 0.207745 0.026 Uiso 1 1 calc R . . . .
C9 C 0.1643(6) 0.57438(16) 0.1239(3) 0.0259(9) Uani 1 1 d . . . . .
H9 H 0.056229 0.565236 0.146901 0.031 Uiso 1 1 calc R . . . .
C19 C 0.3801(6) 0.42935(15) 0.3054(4) 0.0287(9) Uani 1 1 d . . . . .
H19 H 0.334180 0.398802 0.296729 0.034 Uiso 1 1 calc R . . . .
C27 C 1.0748(6) 0.85932(15) 0.3494(4) 0.0255(9) Uani 1 1 d . . . . .
H27A H 1.010091 0.879720 0.392824 0.038 Uiso 1 1 calc GR . . . .
H27B H 1.056013 0.869821 0.270195 0.038 Uiso 1 1 calc GR . . . .
H27C H 1.204007 0.859935 0.382917 0.038 Uiso 1 1 calc GR . . . .
C22 C 0.2590(6) 0.54441(15) 0.4255(3) 0.0256(9) Uani 1 1 d . . . . .
H22A H 0.345967 0.558884 0.487029 0.038 Uiso 1 1 calc GR . . . .
H22B H 0.161110 0.530528 0.456898 0.038 Uiso 1 1 calc GR . . . .
H22C H 0.209181 0.567755 0.368876 0.038 Uiso 1 1 calc GR . . . .
C23 C 0.7767(5) 0.49824(15) 0.2399(4) 0.0270(9) Uani 1 1 d . . . . .
H23A H 0.750726 0.522528 0.182128 0.040 Uiso 1 1 calc GR . . . .
H23B H 0.826086 0.471261 0.207479 0.040 Uiso 1 1 calc GR . . . .
H23C H 0.864706 0.509579 0.305377 0.040 Uiso 1 1 calc GR . . . .
C20 C 0.5367(6) 0.44044(15) 0.2670(4) 0.0269(9) Uani 1 1 d . . . . .
H20 H 0.597434 0.417290 0.232848 0.032 Uiso 1 1 calc R . . . .
C14 C 0.6521(5) 0.61504(16) 0.0173(4) 0.0269(9) Uani 1 1 d . . . . .
H14A H 0.633368 0.645287 -0.019538 0.040 Uiso 1 1 calc GR . . . .
H14B H 0.681915 0.592416 -0.036887 0.040 Uiso 1 1 calc GR . . . .
H14C H 0.751502 0.616938 0.083445 0.040 Uiso 1 1 calc GR . . . .
C13 C 0.1420(6) 0.65163(16) 0.2180(4) 0.0286(9) Uani 1 1 d . . . . .
H13A H 0.225436 0.660845 0.287805 0.043 Uiso 1 1 calc GR . . . .
H13B H 0.035297 0.637070 0.237810 0.043 Uiso 1 1 calc GR . . . .
H13C H 0.105096 0.678905 0.170878 0.043 Uiso 1 1 calc GR . . . .
C25 C 0.4007(6) 0.79980(17) 0.2239(4) 0.0331(10) Uani 1 1 d . . . . .
H25A H 0.427112 0.772252 0.271655 0.050 Uiso 1 1 calc GR . . . .
H25B H 0.270512 0.805663 0.208435 0.050 Uiso 1 1 calc GR . . . .
H25C H 0.464249 0.826340 0.263731 0.050 Uiso 1 1 calc GR . . . .
C10 C 0.2484(6) 0.54401(14) 0.0624(4) 0.0289(9) Uani 1 1 d . . . . .
H10 H 0.199104 0.514226 0.043771 0.035 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.3925(9) . ?
Pt1 N1 2.043(3) . ?
Pt1 C6 2.003(4) . ?
Pt1 C15 1.910(4) . ?
O1 C24 1.213(5) . ?
N1 C5 1.351(5) . ?
N1 C1 1.350(5) . ?
N4 C16 1.402(5) . ?
N4 C15 1.155(5) . ?
N2 C6 1.413(5) . ?
N2 C5 1.378(5) . ?
N2 C24 1.452(5) . ?
N3 C6 1.269(5) . ?
N3 C7 1.401(5) . ?
N5 C24 1.347(5) . ?
N5 C26 1.460(5) . ?
N5 C25 1.457(6) . ?
C16 C17 1.403(6) . ?
C16 C21 1.401(6) . ?
C7 C12 1.401(6) . ?
C7 C8 1.418(5) . ?
C12 C11 1.385(6) . ?
C12 C14 1.507(6) . ?
C5 C4 1.389(6) . ?
C17 C18 1.382(6) . ?
C17 C22 1.508(6) . ?
C2 H2 0.9500 . ?
C2 C1 1.372(6) . ?
C2 C3 1.402(6) . ?
C8 C9 1.388(6) . ?
C8 C13 1.504(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(7) . ?
C21 C23 1.502(6) . ?
C21 C20 1.390(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.388(7) . ?
C1 H1 0.9500 . ?
C3 C4 1.383(6) . ?
C3 C27 1.500(6) . ?
C4 H4 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.381(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C20 H20 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C10 H10 0.9500 . ?

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 Cl1 94.05(9) . . ?
C6 Pt1 Cl1 175.11(11) . . ?
C6 Pt1 N1 81.36(14) . . ?
C15 Pt1 Cl1 87.39(11) . . ?
C15 Pt1 N1 178.42(14) . . ?
C15 Pt1 C6 97.22(16) . . ?
C5 N1 Pt1 114.5(2) . . ?
C1 N1 Pt1 127.7(3) . . ?
C1 N1 C5 117.8(3) . . ?
C15 N4 C16 174.0(4) . . ?
C6 N2 C24 119.6(3) . . ?
C5 N2 C6 120.4(3) . . ?
C5 N2 C24 119.6(3) . . ?
C6 N3 C7 124.2(3) . . ?
C24 N5 C26 117.3(3) . . ?
C24 N5 C25 124.7(3) . . ?
C25 N5 C26 117.8(3) . . ?
N4 C16 C17 118.4(4) . . ?
C21 C16 N4 117.5(3) . . ?
C21 C16 C17 124.1(4) . . ?
N2 C6 Pt1 110.0(3) . . ?
N3 C6 Pt1 136.4(3) . . ?
N3 C6 N2 113.5(3) . . ?
N4 C15 Pt1 173.1(3) . . ?
N3 C7 C12 119.1(3) . . ?
N3 C7 C8 119.7(4) . . ?
C12 C7 C8 120.7(4) . . ?
C7 C12 C14 120.0(4) . . ?
C11 C12 C7 118.5(4) . . ?
C11 C12 C14 121.6(4) . . ?
N1 C5 N2 113.7(3) . . ?
N1 C5 C4 122.5(3) . . ?
N2 C5 C4 123.8(3) . . ?
C16 C17 C22 120.8(4) . . ?
C18 C17 C16 116.5(4) . . ?
C18 C17 C22 122.7(4) . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.6(3) . . ?
C3 C2 H2 120.2 . . ?
C7 C8 C13 119.7(4) . . ?
C9 C8 C7 118.3(4) . . ?
C9 C8 C13 121.9(4) . . ?
C17 C18 H18 119.3 . . ?
C17 C18 C19 121.4(4) . . ?
C19 C18 H18 119.3 . . ?
C16 C21 C23 120.6(4) . . ?
C20 C21 C16 116.7(4) . . ?
C20 C21 C23 122.6(4) . . ?
O1 C24 N2 120.8(3) . . ?
O1 C24 N5 124.9(4) . . ?
N5 C24 N2 114.3(3) . . ?
N5 C26 H26A 109.5 . . ?
N5 C26 H26B 109.5 . . ?
N5 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C12 C11 H11 119.1 . . ?
C12 C11 C10 121.8(4) . . ?
C10 C11 H11 119.1 . . ?
N1 C1 C2 122.8(4) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C2 C3 C27 121.6(4) . . ?
C4 C3 C2 117.9(4) . . ?
C4 C3 C27 120.5(4) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 H4 120.2 . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.5(4) . . ?
C10 C9 H9 119.3 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(4) . . ?
C20 C19 H19 119.8 . . ?
C3 C27 H27A 109.5 . . ?
C3 C27 H27B 109.5 . . ?
C3 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C20 H20 119.6 . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 H20 119.6 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C11 C10 H10 120.4 . . ?
C9 C10 C11 119.2(4) . . ?
C9 C10 H10 120.4 . . ?

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
Pt1 N1 C5 N2 1.5(4) . . . . ?
Pt1 N1 C5 C4 -179.2(3) . . . . ?
Pt1 N1 C1 C2 179.2(3) . . . . ?
N1 C5 C4 C3 -1.4(6) . . . . ?
N4 C16 C17 C18 178.1(3) . . . . ?
N4 C16 C17 C22 -1.9(5) . . . . ?
N4 C16 C21 C23 2.9(5) . . . . ?
N4 C16 C21 C20 -178.3(3) . . . . ?
N2 C5 C4 C3 177.8(4) . . . . ?
N3 C7 C12 C11 -173.1(3) . . . . ?
N3 C7 C12 C14 6.1(5) . . . . ?
N3 C7 C8 C9 173.6(3) . . . . ?
N3 C7 C8 C13 -6.2(5) . . . . ?
C16 C17 C18 C19 0.5(6) . . . . ?
C16 C21 C20 C19 -0.2(6) . . . . ?
C6 N2 C5 N1 -2.1(5) . . . . ?
C6 N2 C5 C4 178.6(4) . . . . ?
C6 N2 C24 O1 -75.1(5) . . . . ?
C6 N2 C24 N5 107.0(4) . . . . ?
C6 N3 C7 C12 -80.1(5) . . . . ?
C6 N3 C7 C8 107.7(4) . . . . ?
C7 N3 C6 Pt1 -15.4(6) . . . . ?
C7 N3 C6 N2 169.5(3) . . . . ?
C7 C12 C11 C10 -0.3(6) . . . . ?
C7 C8 C9 C10 -0.8(6) . . . . ?
C12 C7 C8 C9 1.5(5) . . . . ?
C12 C7 C8 C13 -178.2(4) . . . . ?
C12 C11 C10 C9 1.0(6) . . . . ?
C5 N1 C1 C2 -1.4(6) . . . . ?
C5 N2 C6 Pt1 1.6(4) . . . . ?
C5 N2 C6 N3 178.0(3) . . . . ?
C5 N2 C24 O1 97.4(5) . . . . ?
C5 N2 C24 N5 -80.4(4) . . . . ?
C17 C16 C21 C23 -177.7(4) . . . . ?
C17 C16 C21 C20 1.1(6) . . . . ?
C17 C18 C19 C20 0.4(6) . . . . ?
C2 C3 C4 C5 1.4(6) . . . . ?
C8 C7 C12 C11 -1.0(5) . . . . ?
C8 C7 C12 C14 178.1(3) . . . . ?
C8 C9 C10 C11 -0.4(6) . . . . ?
C18 C19 C20 C21 -0.5(7) . . . . ?
C21 C16 C17 C18 -1.2(6) . . . . ?
C21 C16 C17 C22 178.7(4) . . . . ?
C24 N2 C6 Pt1 174.1(3) . . . . ?
C24 N2 C6 N3 -9.5(5) . . . . ?
C24 N2 C5 N1 -174.6(3) . . . . ?
C24 N2 C5 C4 6.1(6) . . . . ?
C26 N5 C24 O1 -9.0(6) . . . . ?
C26 N5 C24 N2 168.8(3) . . . . ?
C1 N1 C5 N2 -178.0(3) . . . . ?
C1 N1 C5 C4 1.3(5) . . . . ?
C1 C2 C3 C4 -1.5(6) . . . . ?
C1 C2 C3 C27 177.8(4) . . . . ?
C3 C2 C1 N1 1.5(6) . . . . ?
C27 C3 C4 C5 -177.9(4) . . . . ?
C22 C17 C18 C19 -179.5(4) . . . . ?
C23 C21 C20 C19 178.6(4) . . . . ?
C14 C12 C11 C10 -179.4(4) . . . . ?
C13 C8 C9 C10 178.9(4) . . . . ?
C25 N5 C24 O1 176.2(4) . . . . ?
C25 N5 C24 N2 -6.0(5) . . . . ?

_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 1.389
_oxdiff_exptl_absorpt_empirical_full_min 0.782
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bsc-355
_database_code_depnum_ccdc_archive 'CCDC 2102394'
loop_
_audit_author_name
_audit_author_address
'Sergey Baykov'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2021-10-04 deposited with the CCDC.	2021-10-11 downloaded from the CCDC.
;
_audit_creation_date             2021-09-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H28 Cl N5 O Pt, 0.356(H2 O)'
_chemical_formula_sum            'C26 H28.71 Cl N5 O1.36 Pt'
_chemical_formula_weight         663.49
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C28 H28 Cl N5 O Pt '
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   19.0902(3)
_cell_length_b                   12.0056(2)
_cell_length_c                   22.7916(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.9090(10)
_cell_angle_gamma                90
_cell_volume                     5111.16(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    14300
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.2550
_cell_measurement_theta_min      2.7410
_shelx_estimated_absorpt_T_max   0.365
_shelx_estimated_absorpt_T_min   0.246
_exptl_absorpt_coefficient_mu    11.469
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.71a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28786
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.987
_diffrn_reflns_theta_min         3.964
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -106.00 -26.00   0.50    0.52    --  -38.82 -33.00  49.00  160
  2  ω     27.00 107.00   0.50    0.52    --   38.82  33.00-151.00  160
  3  ω     16.00  48.00   0.50    0.52    --   38.82 -33.00  49.00   64
  4  ω    130.00 156.00   0.50    2.08    --  100.00  33.00-151.00   52
  5  ω     97.00 126.00   0.50    2.08    --  100.00  33.00-151.00   58
  6  ω     32.00 112.00   0.50    2.08    --  100.00 -33.00  49.00  160
  7  ω    -90.00 -50.00   0.50    0.52    --  -38.82 138.00 -60.00   80
  8  ω    -45.00 -15.00   0.50    0.52    --  -38.82 138.00 -60.00   60
  9  ω    -59.00 -21.00   0.50    0.52    --  -38.82 -21.00 -90.00   76
 10  ω    -60.00 -25.00   0.50    0.52    --  -38.82 -32.00-150.00   70
 11  ω    -29.00  12.00   0.50    0.52    --  -38.82  65.00 -30.00   82
 12  ω    -60.00 -35.00   0.50    0.52    --  -38.82  65.00 -30.00   50
 13  ω   -108.00 -64.00   0.50    0.52    --  -38.82 -21.00 -90.00   88
 14  ω    -44.00 -19.00   0.50    0.52    --  -38.82  33.00-151.00   50
 15  ω     73.00 101.00   0.50    0.52    --   38.82  54.00-120.00   56
 16  ω     19.00  64.00   0.50    0.52    --   38.82  54.00-120.00   90
 17  ω    -17.00   8.00   0.50    0.52    --   38.82 -43.00 -30.00   50
 18  ω     32.00 103.00   0.50    0.52    --   38.82  43.00 -30.00  142
 19  ω     36.00  61.00   0.50    0.52    --   38.82  32.00   0.00   50
 20  ω     83.00 108.00   0.50    0.52    --   38.82  32.00   0.00   50
 21  ω     14.00  46.00   0.50    0.52    --   38.82 -43.00 -30.00   64
 22  ω    101.00 141.00   0.50    2.08    --  100.00  93.00 -90.00   80
 23  ω     65.00 117.00   0.50    2.08    --  100.00 -45.00-150.00  104
 24  ω     36.00 115.00   0.50    2.08    --  100.00 -61.00  90.00  158
 25  ω     36.00  61.00   0.50    2.08    --  100.00 -45.00-150.00   50
 26  ω     73.00  99.00   0.50    2.08    --  100.00  15.00 120.00   52
 27  ω     76.00 114.00   0.50    2.08    --  100.00 -30.00-120.00   76
 28  ω     26.00 126.00   0.50    2.08    --  100.00 -15.00-180.00  200
 29  ω     35.00  72.00   0.50    2.08    --  100.00 -30.00-120.00   74
 30  ω    103.00 156.00   0.50    2.08    --  100.00  30.00-180.00  106
 31  ω     38.00 122.00   0.50    2.08    --  100.00 -77.00-150.00  168
 32  ω     61.00 118.00   0.50    2.08    --  100.00 -45.00 -90.00  114
 33  ω     96.00 153.00   0.50    2.08    --  100.00  45.00  90.00  114
 34  ω     42.00  85.00   0.50    2.08    --  100.00 -45.00-180.00   86
 35  ω     60.00 104.00   0.50    2.08    --  100.00-111.00   0.00   88
 36  ω     79.00 105.00   0.50    2.08    --  100.00  15.00  30.00   52
 37  ω     42.00  72.00   0.50    2.08    --  100.00-111.00 -60.00   60
 38  ω    106.00 154.00   0.50    2.08    --  100.00  45.00-120.00   96
 39  ω    119.00 144.00   0.50    2.08    --  100.00  15.00  30.00   50
 40  ω     88.00 113.00   0.50    2.08    --  100.00 -61.00-180.00   50
 41  ω    -49.00 -23.00   0.50    0.52    --  -38.82  33.00-151.00   52
 42  ω    -41.00 -15.00   0.50    0.52    --  -38.82 -65.00 -90.00   52
 43  ω    -55.00 -29.00   0.50    0.52    --  -38.82 -65.00 -60.00   52
 44  ω    -48.00 -23.00   0.50    0.52    --  -38.82 -54.00 -60.00   50
 45  ω    -36.00  33.00   0.50    0.52    --  -38.82  21.00   0.00  138
 46  ω     17.00  42.00   0.50    0.52    --   38.82  65.00 -60.00   50
 47  ω     23.00  49.00   0.50    0.52    --   38.82  65.00 -30.00   52
 48  ω    -27.00  -1.00   0.50    0.52    --   38.82 -89.00  30.00   52
 49  ω     30.00  70.00   0.50    0.52    --   38.82 -89.00  30.00   80
 50  ω     16.00  55.00   0.50    0.52    --   38.82  65.00  30.00   78
 51  ω     17.00  55.00   0.50    0.52    --   38.82  65.00   0.00   76
 52  ω     79.00 104.00   0.50    0.52    --   38.82  65.00   0.00   50
 53  ω    -32.00  18.00   0.50    0.52    --   38.82 -21.00 -90.00  100
 54  ω     29.00  55.00   0.50    0.52    --   38.82  32.00 -60.00   52
 55  ω    119.00 150.00   0.50    2.08    --  100.00  69.00 -60.00   62
 56  ω     29.00  54.00   0.50    2.08    --  100.00 -22.00 120.00   50
 57  ω     76.00 102.00   0.50    2.08    --  100.00  69.00 -60.00   52
 58  ω     80.00 114.00   0.50    2.08    --  100.00  53.00   0.00   68
 59  ω     80.00 107.00   0.50    2.08    --  100.00  53.00 -30.00   54
 60  ω     78.00 108.00   0.50    2.08    --  100.00  61.00-120.00   60
 61  ω     80.00 137.00   0.50    2.08    --  100.00  53.00 -90.00  114
 62  ω     86.00 157.00   0.50    2.08    --  100.00  45.00 -30.00  142
 63  ω    115.00 145.00   0.50    2.08    --  100.00  45.00   0.00   60
 64  ω     92.00 117.00   0.50    2.08    --  100.00  61.00 120.00   50
 65  ω    122.00 155.00   0.50    2.08    --  100.00  61.00 120.00   66
 66  ω     78.00 104.00   0.50    2.08    --  100.00  61.00 -30.00   52
 67  ω     78.00 104.00   0.50    2.08    --  100.00  61.00   0.00   52
 68  ω     83.00 111.00   0.50    2.08    --  100.00  77.00   0.00   56
 69  ω     94.00 119.00   0.50    2.08    --  100.00 -22.00 120.00   50
 70  ω     78.00 155.00   0.50    2.08    --  100.00  61.00 -90.00  154
 71  ω     81.00 123.00   0.50    2.08    --  100.00  53.00-120.00   84
 72  ω     85.00 111.00   0.50    2.08    --  100.00  45.00 -90.00   52
 73  ω     83.00 109.00   0.50    2.08    --  100.00  77.00  90.00   52
 74  ω    131.00 157.00   0.50    2.08    --  100.00  37.00  60.00   52
 75  ω     76.00 101.00   0.50    2.08    --  100.00  69.00 -30.00   50
 76  ω     83.00 108.00   0.50    2.08    --  100.00  77.00 -30.00   50
 77  ω    128.00 155.00   0.50    2.08    --  100.00  69.00 -79.93   54
 78  ω     76.00 101.00   0.50    2.08    --  100.00  69.00 -79.93   50
 79  ω     80.00 118.00   0.50    2.08    --  100.00  67.00 -75.32   76
 80  ω     76.00 102.00   0.50    2.08    --  100.00  69.00 -90.00   52
 81  ω    132.00 157.00   0.50    2.08    --  100.00  77.00  90.00   50
 82  ω    117.00 144.00   0.50    2.08    --  100.00  69.00-120.00   54
 83  ω     85.00 111.00   0.50    2.08    --  100.00  45.00   0.00   52
 84  ω    112.00 138.00   0.50    2.08    --  100.00  61.00  30.00   52
 85  ω     78.00 103.00   0.50    2.08    --  100.00  61.00  30.00   50
 86  ω     76.00 102.00   0.50    2.08    --  100.00  69.00-120.00   52
 87  ω     76.00 133.00   0.50    2.08    --  100.00  69.00   0.00  114
 88  ω    129.00 154.00   0.50    2.08    --  100.00  53.00-180.00   50
 89  ω     83.00 108.00   0.50    2.08    --  100.00-111.00 120.00   50
 90  ω     77.00 102.00   0.50    2.08    --  100.00  65.00  29.76   50
 91  ω    132.00 157.00   0.50    2.08    --  100.00  61.00 -60.00   50
 92  ω     78.00 104.00   0.50    2.08    --  100.00  61.00 -60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0441138000
_diffrn_orient_matrix_UB_12      0.0340711000
_diffrn_orient_matrix_UB_13      -0.0466023000
_diffrn_orient_matrix_UB_21      -0.0605810000
_diffrn_orient_matrix_UB_22      -0.0415304000
_diffrn_orient_matrix_UB_23      -0.0507811000
_diffrn_orient_matrix_UB_31      -0.0344989000
_diffrn_orient_matrix_UB_32      0.1165094000
_diffrn_orient_matrix_UB_33      -0.0045000000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4360
_reflns_number_total             4833
_reflns_odcompleteness_completeness 98.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     70.93
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_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)'
_refine_diff_density_max         1.842
_refine_diff_density_min         -2.730
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4833
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.154
_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)+(0.0637P)²+14.6490P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1048
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Sof(O1S)=Sof(H1SA)=Sof(H1SB)=FVAR(1)
2.a Riding coordinates:
 O1S(H1SA,H1SB)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C11(H11), C10(H10), C20(H20),
 C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C26(H26A,H26B,H26C), C14(H14A,H14B,H14C), C22(H22A,H22B,
 H22C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.55738(2) 0.37349(2) 0.38715(2) 0.02930(10) Uani 1 1 d . . . . .
Cl1 Cl 0.65786(6) 0.49509(10) 0.39135(5) 0.0376(2) Uani 1 1 d . . . . .
O1 O 0.37069(19) 0.2525(3) 0.48354(17) 0.0469(9) Uani 1 1 d . . . . .
N1 N 0.49530(19) 0.4913(3) 0.41630(17) 0.0304(8) Uani 1 1 d . . . . .
N2 N 0.4192(2) 0.3422(4) 0.41118(19) 0.0344(8) Uani 1 1 d . . . . .
N5 N 0.3010(2) 0.2741(4) 0.3907(2) 0.0374(9) Uani 1 1 d . . . . .
N4 N 0.6505(2) 0.2055(4) 0.33767(19) 0.0379(9) Uani 1 1 d . . . . .
N3 N 0.4553(2) 0.1779(3) 0.3799(2) 0.0378(9) Uani 1 1 d . . . . .
C15 C 0.6130(2) 0.2620(4) 0.3569(2) 0.0338(10) Uani 1 1 d . . . . .
C5 C 0.4311(2) 0.4530(4) 0.4241(2) 0.0319(9) Uani 1 1 d . . . . .
C24 C 0.3616(2) 0.2837(4) 0.4320(2) 0.0341(10) Uani 1 1 d . . . . .
C7 C 0.4991(3) 0.0967(4) 0.3612(3) 0.0386(11) Uani 1 1 d . . . . .
C6 C 0.4725(2) 0.2792(4) 0.3905(2) 0.0335(10) Uani 1 1 d . . . . .
C1 C 0.5123(3) 0.6004(4) 0.4274(2) 0.0346(10) Uani 1 1 d . . . . .
H1 H 0.557289 0.627226 0.421762 0.041 Uiso 1 1 calc R U . . .
C12 C 0.4906(3) 0.0722(5) 0.3001(3) 0.0429(12) Uani 1 1 d . . . . .
C16 C 0.6995(3) 0.1430(4) 0.3131(3) 0.0426(12) Uani 1 1 d . . . . .
C2 C 0.4662(3) 0.6722(4) 0.4465(2) 0.0376(10) Uani 1 1 d . . . . .
H2 H 0.479072 0.747963 0.454388 0.045 Uiso 1 1 calc R U . . .
O1S O 0.750000 0.3453(7) 0.500000 0.040(2) Uani 0.71(2) 2 d S T P . .
H1SA H 0.726040 0.386492 0.471320 0.060 Uiso 0.356(10) 1 d R U P A -1
H1SB H 0.780730 0.390762 0.521160 0.060 Uiso 0.356(10) 1 d R U P A -1
C3 C 0.4002(3) 0.6331(4) 0.4543(2) 0.0383(11) Uani 1 1 d . . . . .
H3 H 0.367455 0.682581 0.467153 0.046 Uiso 1 1 calc R U . . .
C4 C 0.3819(3) 0.5218(4) 0.4434(2) 0.0348(10) Uani 1 1 d . . . . .
H4 H 0.337217 0.493685 0.449014 0.042 Uiso 1 1 calc R U . . .
C8 C 0.5455(3) 0.0349(4) 0.4049(2) 0.0371(10) Uani 1 1 d . . . . .
C13 C 0.5604(3) 0.0697(5) 0.4688(2) 0.0424(11) Uani 1 1 d . . . . .
H13A H 0.593182 0.133386 0.474330 0.064 Uiso 1 1 calc R U . . .
H13B H 0.582329 0.007650 0.494006 0.064 Uiso 1 1 calc R U . . .
H13C H 0.515474 0.090902 0.480224 0.064 Uiso 1 1 calc R U . . .
C26 C 0.2922(3) 0.3039(5) 0.3282(3) 0.0489(13) Uani 1 1 d . . . . .
H26A H 0.331979 0.351809 0.322849 0.073 Uiso 1 1 calc R U . . .
H26B H 0.246903 0.344009 0.315333 0.073 Uiso 1 1 calc R U . . .
H26C H 0.291730 0.236292 0.304080 0.073 Uiso 1 1 calc R U . . .
C9 C 0.5802(3) -0.0552(5) 0.3861(3) 0.0448(12) Uani 1 1 d . . . . .
H9 H 0.610734 -0.099371 0.415205 0.054 Uiso 1 1 calc R U . . .
C14 C 0.4461(4) 0.1481(5) 0.2538(3) 0.0525(14) Uani 1 1 d . . . . .
H14A H 0.400076 0.163058 0.264997 0.079 Uiso 1 1 calc R U . . .
H14B H 0.437709 0.111927 0.214462 0.079 Uiso 1 1 calc R U . . .
H14C H 0.471650 0.218427 0.252098 0.079 Uiso 1 1 calc R U . . .
C22 C 0.7601(3) 0.0960(6) 0.4184(3) 0.0571(16) Uani 1 1 d . . . . .
H22A H 0.761500 0.173961 0.431411 0.086 Uiso 1 1 calc R U . . .
H22B H 0.803871 0.058106 0.438765 0.086 Uiso 1 1 calc R U . . .
H22C H 0.718376 0.059101 0.428490 0.086 Uiso 1 1 calc R U . . .
C11 C 0.5269(3) -0.0183(5) 0.2833(3) 0.0513(14) Uani 1 1 d . . . . .
H11 H 0.520958 -0.036332 0.241968 0.062 Uiso 1 1 calc R U . . .
C25 C 0.2402(3) 0.2172(5) 0.4077(3) 0.0482(13) Uani 1 1 d . . . . .
H25A H 0.254124 0.190823 0.449126 0.072 Uiso 1 1 calc R U . . .
H25B H 0.225895 0.153596 0.380919 0.072 Uiso 1 1 calc R U . . .
H25C H 0.199977 0.269134 0.404280 0.072 Uiso 1 1 calc R U . . .
C17 C 0.7550(3) 0.0914(5) 0.3523(3) 0.0520(14) Uani 1 1 d . . . . .
C21 C 0.6896(4) 0.1415(5) 0.2504(3) 0.0593(18) Uani 1 1 d . . . . .
C10 C 0.5717(3) -0.0833(5) 0.3256(3) 0.0514(14) Uani 1 1 d . . . . .
H10 H 0.596028 -0.145539 0.313589 0.062 Uiso 1 1 calc R U . . .
C20 C 0.7406(5) 0.0868(7) 0.2264(4) 0.074(2) Uani 1 1 d . . . . .
H20 H 0.736470 0.084217 0.184198 0.089 Uiso 1 1 calc R U . . .
C18 C 0.8058(4) 0.0345(6) 0.3258(4) 0.072(2) Uani 1 1 d . . . . .
H18 H 0.844922 -0.003819 0.349905 0.087 Uiso 1 1 calc R U . . .
C19 C 0.7971(5) 0.0361(7) 0.2635(5) 0.083(3) Uani 1 1 d . . . . .
H19 H 0.832132 0.000287 0.246015 0.099 Uiso 1 1 calc R U . . .
C23 C 0.6267(5) 0.1944(6) 0.2107(3) 0.071(2) Uani 1 1 d . . . . .
H23A H 0.585493 0.144055 0.205869 0.107 Uiso 1 1 calc R U . . .
H23B H 0.637938 0.209329 0.171339 0.107 Uiso 1 1 calc R U . . .
H23C H 0.615281 0.264506 0.228584 0.107 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.3967(11) . ?
Pt1 N1 2.043(4) . ?
Pt1 C15 1.923(5) . ?
Pt1 C6 1.991(5) . ?
O1 C24 1.211(6) . ?
N1 C5 1.354(6) . ?
N1 C1 1.360(6) . ?
N2 C5 1.372(6) . ?
N2 C24 1.463(6) . ?
N2 C6 1.424(6) . ?
N5 C24 1.338(6) . ?
N5 C26 1.444(7) . ?
N5 C25 1.465(7) . ?
N4 C15 1.138(6) . ?
N4 C16 1.402(7) . ?
N3 C7 1.406(7) . ?
N3 C6 1.270(6) . ?
C5 C4 1.389(7) . ?
C7 C12 1.399(8) . ?
C7 C8 1.401(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.367(7) . ?
C12 C14 1.515(8) . ?
C12 C11 1.385(8) . ?
C16 C17 1.383(9) . ?
C16 C21 1.403(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.390(8) . ?
O1S H1SA 0.8703 . ?
O1S H1SB 0.8704 . ?
C3 H3 0.9500 . ?
C3 C4 1.391(7) . ?
C4 H4 0.9500 . ?
C8 C13 1.486(8) . ?
C8 C9 1.381(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C9 H9 0.9500 . ?
C9 C10 1.396(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C17 1.490(10) . ?
C11 H11 0.9500 . ?
C11 C10 1.389(9) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C17 C18 1.420(9) . ?
C21 C20 1.377(10) . ?
C21 C23 1.489(12) . ?
C10 H10 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.369(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(13) . ?
C19 H19 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?

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 Cl1 94.49(11) . . ?
C15 Pt1 Cl1 86.67(15) . . ?
C15 Pt1 N1 177.75(17) . . ?
C15 Pt1 C6 97.6(2) . . ?
C6 Pt1 Cl1 174.75(14) . . ?
C6 Pt1 N1 81.36(18) . . ?
C5 N1 Pt1 114.1(3) . . ?
C5 N1 C1 119.4(4) . . ?
C1 N1 Pt1 126.5(3) . . ?
C5 N2 C24 119.9(4) . . ?
C5 N2 C6 119.2(4) . . ?
C6 N2 C24 119.3(4) . . ?
C24 N5 C26 125.5(4) . . ?
C24 N5 C25 118.2(5) . . ?
C26 N5 C25 116.0(4) . . ?
C15 N4 C16 175.8(5) . . ?
C6 N3 C7 125.2(4) . . ?
N4 C15 Pt1 172.4(4) . . ?
N1 C5 N2 114.6(4) . . ?
N1 C5 C4 122.0(4) . . ?
N2 C5 C4 123.4(4) . . ?
O1 C24 N2 119.8(4) . . ?
O1 C24 N5 125.8(5) . . ?
N5 C24 N2 114.3(4) . . ?
C12 C7 N3 119.5(5) . . ?
C12 C7 C8 121.4(5) . . ?
C8 C7 N3 118.8(5) . . ?
N2 C6 Pt1 110.7(3) . . ?
N3 C6 Pt1 135.8(4) . . ?
N3 C6 N2 113.4(4) . . ?
N1 C1 H1 119.3 . . ?
N1 C1 C2 121.4(5) . . ?
C2 C1 H1 119.3 . . ?
C7 C12 C14 120.0(5) . . ?
C11 C12 C7 118.6(5) . . ?
C11 C12 C14 121.3(5) . . ?
N4 C16 C21 116.9(6) . . ?
C17 C16 N4 117.8(5) . . ?
C17 C16 C21 125.2(6) . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.3(5) . . ?
C3 C2 H2 120.3 . . ?
H1SA O1S H1SB 104.5 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(5) . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 117.8(5) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
C7 C8 C13 120.8(5) . . ?
C9 C8 C7 117.9(5) . . ?
C9 C8 C13 121.2(5) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C26 H26A 109.5 . . ?
N5 C26 H26B 109.5 . . ?
N5 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C8 C9 H9 119.0 . . ?
C8 C9 C10 122.0(5) . . ?
C10 C9 H9 119.0 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
C12 C11 H11 119.3 . . ?
C12 C11 C10 121.3(6) . . ?
C10 C11 H11 119.3 . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C16 C17 C22 121.2(5) . . ?
C16 C17 C18 116.1(7) . . ?
C18 C17 C22 122.7(7) . . ?
C16 C21 C23 122.5(6) . . ?
C20 C21 C16 116.9(8) . . ?
C20 C21 C23 120.6(7) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 C9 118.7(5) . . ?
C11 C10 H10 120.7 . . ?
C21 C20 H20 120.1 . . ?
C19 C20 C21 119.9(8) . . ?
C19 C20 H20 120.1 . . ?
C17 C18 H18 120.7 . . ?
C19 C18 C17 118.6(8) . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 123.3(6) . . ?
C20 C19 H19 118.4 . . ?
C18 C19 H19 118.4 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
Pt1 N1 C5 N2 0.0(5) . . . . ?
Pt1 N1 C5 C4 -179.6(4) . . . . ?
Pt1 N1 C1 C2 179.6(4) . . . . ?
N1 C5 C4 C3 0.4(7) . . . . ?
N1 C1 C2 C3 -0.5(8) . . . . ?
N2 C5 C4 C3 -179.2(5) . . . . ?
N4 C16 C17 C22 3.8(8) . . . . ?
N4 C16 C17 C18 -176.3(5) . . . . ?
N4 C16 C21 C20 175.5(5) . . . . ?
N4 C16 C21 C23 -5.6(9) . . . . ?
N3 C7 C12 C14 12.5(8) . . . . ?
N3 C7 C12 C11 -171.1(5) . . . . ?
N3 C7 C8 C13 -13.1(7) . . . . ?
N3 C7 C8 C9 170.6(5) . . . . ?
C5 N1 C1 C2 0.2(7) . . . . ?
C5 N2 C24 O1 -79.3(6) . . . . ?
C5 N2 C24 N5 98.1(5) . . . . ?
C5 N2 C6 Pt1 1.4(5) . . . . ?
C5 N2 C6 N3 -179.9(4) . . . . ?
C24 N2 C5 N1 164.2(4) . . . . ?
C24 N2 C5 C4 -16.1(7) . . . . ?
C24 N2 C6 Pt1 -163.9(3) . . . . ?
C24 N2 C6 N3 14.9(6) . . . . ?
C7 N3 C6 Pt1 0.8(9) . . . . ?
C7 N3 C6 N2 -177.5(5) . . . . ?
C7 C12 C11 C10 -0.9(9) . . . . ?
C7 C8 C9 C10 1.9(8) . . . . ?
C6 N2 C5 N1 -0.9(6) . . . . ?
C6 N2 C5 C4 178.7(4) . . . . ?
C6 N2 C24 O1 85.9(6) . . . . ?
C6 N2 C24 N5 -96.7(5) . . . . ?
C6 N3 C7 C12 -96.3(6) . . . . ?
C6 N3 C7 C8 89.5(7) . . . . ?
C1 N1 C5 N2 179.5(4) . . . . ?
C1 N1 C5 C4 -0.2(7) . . . . ?
C1 C2 C3 C4 0.8(8) . . . . ?
C12 C7 C8 C13 172.9(5) . . . . ?
C12 C7 C8 C9 -3.4(8) . . . . ?
C12 C11 C10 C9 -0.5(9) . . . . ?
C16 C17 C18 C19 1.1(9) . . . . ?
C16 C21 C20 C19 0.6(10) . . . . ?
C2 C3 C4 C5 -0.7(7) . . . . ?
C8 C7 C12 C14 -173.5(5) . . . . ?
C8 C7 C12 C11 2.9(8) . . . . ?
C8 C9 C10 C11 -0.1(9) . . . . ?
C13 C8 C9 C10 -174.3(5) . . . . ?
C26 N5 C24 O1 -175.1(5) . . . . ?
C26 N5 C24 N2 7.7(7) . . . . ?
C14 C12 C11 C10 175.4(6) . . . . ?
C22 C17 C18 C19 -179.1(6) . . . . ?
C25 N5 C24 O1 -2.4(8) . . . . ?
C25 N5 C24 N2 -179.7(4) . . . . ?
C17 C16 C21 C20 -1.8(9) . . . . ?
C17 C16 C21 C23 177.1(6) . . . . ?
C17 C18 C19 C20 -2.3(11) . . . . ?
C21 C16 C17 C22 -178.9(6) . . . . ?
C21 C16 C17 C18 1.0(9) . . . . ?
C21 C20 C19 C18 1.4(12) . . . . ?
C23 C21 C20 C19 -178.3(7) . . . . ?

# end Validation Reply Form
_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 2.027
_oxdiff_exptl_absorpt_empirical_full_min 0.515
# start Validation Reply Form
_vrf_PLAT972_bsc-355             
;
PROBLEM: Check Calcd Resid. Dens.  0.75A   From Pt1            -2.57 eA-3  
RESPONSE: these peaks around the heavy atom (platinum)
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bsc-461
_database_code_depnum_ccdc_archive 'CCDC 2102399'
loop_
_audit_author_name
_audit_author_address
'Sergey Baykov'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2021-08-10 deposited with the CCDC.	2021-10-11 downloaded from the CCDC.
;
_audit_creation_date             2021-05-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H30 Cl N5 O Pt'
_chemical_formula_sum            'C30 H30 Cl N5 O Pt'
_chemical_formula_weight         707.13
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C30 H30 Cl N5 O Pt '
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'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           96
_space_group_name_H-M_alt        'P 43 21 2'
_space_group_name_Hall           'P 4nw 2abw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   14.11700(10)
_cell_length_b                   14.11700(10)
_cell_length_c                   27.4755(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5475.58(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    62658
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.3880
_cell_measurement_theta_min      3.1770
_shelx_estimated_absorpt_T_max   0.359
_shelx_estimated_absorpt_T_min   0.235
_exptl_absorpt_coefficient_mu    10.742
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.95a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            93936
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.745
_diffrn_reflns_theta_min         3.520
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00   1.00   0.50    0.15    --  -47.13  52.00  47.00   52
  2  ω   -117.00 -87.00   0.50    0.15    --  -47.13 -52.00 -97.00   60
  3  ω    -15.00  40.00   0.50    0.15    --   47.13 -52.00 -97.00  110
  4  ω     38.00 112.00   0.50    0.15    --   47.13  52.00  47.00  148
  5  ω   -177.00-103.00   0.50    0.60    -- -105.31 -52.00 -97.00  148
  6  ω    -58.00 -33.00   0.50    0.60    -- -105.31  52.00  47.00   50
  7  ω     33.00  58.00   0.50    0.60    --  105.31 -52.00 -97.00   50
  8  ω     95.00 178.00   0.50    0.60    --  105.31  52.00  47.00  166
  9  ω    -95.00 -44.00   0.50    0.15    --  -47.13 125.00  60.00  102
 10  ω   -121.00 -34.00   0.50    0.15    --  -47.13 -19.00 120.00  174
 11  ω    -66.00  19.00   0.50    0.15    --  -47.13  77.00 -60.00  170
 12  ω     14.00  39.00   0.50    0.15    --   47.13-125.00 -90.00   50
 13  ω     69.00  95.00   0.50    0.15    --   47.13-125.00 -90.00   52
 14  ω     74.00 119.00   0.50    0.15    --   47.13 125.00-150.00   90
 15  ω    -27.00   4.00   0.50    0.15    --   47.13 -19.00 120.00   62
 16  ω   -128.00 -94.00   0.50    0.60    -- -105.31 148.00-139.50   68
 17  ω    -92.00 -47.00   0.50    0.60    -- -105.31  77.00  60.00   90
 18  ω   -106.00 -51.00   0.50    0.60    -- -105.31  77.00 -30.00  110
 19  ω    -70.00 -38.00   0.50    0.60    -- -105.31  61.00 -90.00   64
 20  ω   -174.00-130.00   0.50    0.60    -- -105.31 -61.00   0.00   88
 21  ω   -108.00 -69.00   0.50    0.60    -- -105.31 110.00-167.40   78
 22  ω   -176.00 -90.00   0.50    0.60    -- -105.31 -61.00 -30.00  172
 23  ω   -110.00 -38.00   0.50    0.60    -- -105.31 125.00-180.00  144
 24  ω   -107.00 -39.00   0.50    0.60    -- -105.31 110.00 -23.93  136
 25  ω    -67.00 -34.00   0.50    0.60    -- -105.31  77.00-150.00   66
 26  ω   -110.00 -79.00   0.50    0.60    -- -105.31 119.00  86.87   62
 27  ω   -107.00 -69.00   0.50    0.60    -- -105.31 105.00 172.64   76
 28  ω   -105.00 -79.00   0.50    0.60    -- -105.31  77.00-150.00   52
 29  ω   -153.00 -96.00   0.50    0.60    -- -105.31 -45.00 150.00  114
 30  ω   -101.00 -58.00   0.50    0.60    -- -105.31  77.00  30.00   86
 31  ω    -82.00 -41.00   0.50    0.60    -- -105.31 148.00-139.50   82
 32  ω     41.00  70.00   0.50    0.60    --  105.31 -61.00  90.00   58
 33  ω     63.00 117.00   0.50    0.60    --  105.31-133.00  85.71  108
 34  ω     39.00  68.00   0.50    0.60    --  105.31 -61.00-150.00   58
 35  ω     94.00 176.00   0.50    0.60    --  105.31  45.00 -30.00  164
 36  ω     36.00 107.00   0.50    0.60    --  105.31-125.00 150.00  142
 37  ω     35.00  76.00   0.50    0.60    --  105.31-125.00-150.00   82
 38  ω     71.00  96.00   0.50    0.60    --  105.31-133.00 -32.78   50
 39  ω     59.00 101.00   0.50    0.60    --  105.31 -94.00  60.00   84
 40  ω    132.00 178.00   0.50    0.60    --  105.31  30.00-180.00   92
 41  ω     94.00 173.00   0.50    0.60    --  105.31  45.00   0.00  158
 42  ω     93.00 123.00   0.50    0.60    --  105.31  30.00-180.00   60
 43  ω     38.00 107.00   0.50    0.60    --  105.31-110.00  92.49  138
 44  ω     35.00  63.00   0.50    0.60    --  105.31 -61.00  60.00   56
 45  ω     53.00  78.00   0.50    0.15    --   47.13  52.00  47.00   50
 46  ω    -43.00 -18.00   0.50    0.15    --    8.00 132.00 107.23   50
 47  ω    -42.00 -15.00   0.50    0.15    --    8.00 129.00  39.69   54
 48  ω    -28.00  -3.00   0.50    0.15    --   12.00 111.00 172.22   50
 49  ω    -18.00   7.00   0.50    0.15    --   16.00 100.00 -26.36   50
 50  ω     -1.00  26.00   0.50    0.15    --   24.00  84.00-101.88   54
 51  ω      1.00  26.00   0.50    0.15    --   32.00  94.00 -33.39   50
 52  ω     16.00  41.00   0.50    0.15    --   44.00  89.00  81.67   50
 53  ω     15.00  40.00   0.50    0.15    --   44.00  90.00-142.38   50
 54  ω     15.00  40.00   0.50    0.15    --   44.00  90.00 -37.47   50
 55  ω     16.00  41.00   0.50    0.15    --   44.00  89.00  -0.54   50
 56  ω     14.00  39.00   0.50    0.15    --   44.00  92.00 154.90   50
 57  ω     11.00  37.00   0.50    0.15    --   47.13 -37.00 120.00   52
 58  ω     30.00  75.00   0.50    0.15    --   52.00  77.00-157.37   90
 59  ω     29.00  83.00   0.50    0.15    --   52.00  77.00 -79.45  108
 60  ω     80.00 106.00   0.50    0.15    --   52.00  77.00-157.37   52
 61  ω     35.00  63.00   0.50    0.15    --   56.00  74.00  12.65   56
 62  ω     34.00  74.00   0.50    0.15    --   56.00  76.00 -40.33   80
;
_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      -0.0845632000
_diffrn_orient_matrix_UB_12      0.0270749000
_diffrn_orient_matrix_UB_13      0.0325383000
_diffrn_orient_matrix_UB_21      0.0115068000
_diffrn_orient_matrix_UB_22      0.1043825000
_diffrn_orient_matrix_UB_23      -0.0149453000
_diffrn_orient_matrix_UB_31      -0.0682265000
_diffrn_orient_matrix_UB_32      -0.0159627000
_diffrn_orient_matrix_UB_33      -0.0431368000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.722
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                5492
_reflns_number_total             5721
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.871
_refine_diff_density_min         -1.234
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 
;
 Flack x determined using 2221 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5721
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0286P)²+22.2399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0832
_refine_special_details          ?
_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 Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C29(H29), C27(H27), C30(H30), C11(H11), C28(H28), C20(H20),
 C10(H10), C19(H19), C9(H9), C18(H18)
2.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C13(H13A,H13B,H13C), C23(H23A,H23B,H23C), C25(H25A,H25B,
 H25C), C14(H14A,H14B,H14C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.49200(2) 0.68623(2) 0.24705(2) 0.03699(10) Uani 1 1 d . . . . .
Cl1 Cl 0.50798(19) 0.62877(16) 0.16600(7) 0.0530(5) Uani 1 1 d . . . . .
N2 N 0.4143(5) 0.8268(5) 0.3101(3) 0.0415(16) Uani 1 1 d . . . . .
N1 N 0.3863(5) 0.7797(5) 0.2311(2) 0.0391(15) Uani 1 1 d . . . . .
C16 C 0.7142(7) 0.4695(6) 0.2716(3) 0.0421(19) Uani 1 1 d . . . . .
N3 N 0.5404(5) 0.7593(5) 0.3478(2) 0.0373(15) Uani 1 1 d . . . . .
O1 O 0.4820(6) 0.9726(5) 0.3251(3) 0.0660(19) Uani 1 1 d . . . . .
C1 C 0.3389(6) 0.7819(7) 0.1877(3) 0.045(2) Uani 1 1 d . . . . .
H1 H 0.355220 0.737436 0.163142 0.054 Uiso 1 1 calc R . . . .
C7 C 0.6257(6) 0.7072(6) 0.3523(3) 0.0427(19) Uani 1 1 d . . . . .
C6 C 0.4876(6) 0.7568(6) 0.3100(3) 0.0417(18) Uani 1 1 d . . . . .
C3 C 0.2429(6) 0.9097(7) 0.2152(3) 0.046(2) Uani 1 1 d . . . . .
C2 C 0.2698(7) 0.8450(7) 0.1788(3) 0.048(2) Uani 1 1 d . . . . .
H2 H 0.239199 0.845986 0.148055 0.058 Uiso 1 1 calc R . . . .
C29 C 0.1861(6) 1.0318(6) 0.2896(4) 0.051(2) Uani 1 1 d . . . . .
H29 H 0.165506 1.072912 0.314847 0.061 Uiso 1 1 calc R . . . .
C5 C 0.3632(6) 0.8384(6) 0.2671(3) 0.0393(17) Uani 1 1 d . . . . .
C27 C 0.1691(6) 0.9773(6) 0.2079(3) 0.050(2) Uani 1 1 d . . . . .
H27 H 0.138068 0.980610 0.177289 0.060 Uiso 1 1 calc R . . . .
C17 C 0.7911(7) 0.4843(6) 0.2401(3) 0.049(2) Uani 1 1 d . . . . .
C30 C 0.2575(6) 0.9691(7) 0.2984(4) 0.049(2) Uani 1 1 d . . . . .
H30 H 0.286156 0.966927 0.329698 0.059 Uiso 1 1 calc R . . . .
C12 C 0.6304(7) 0.6323(7) 0.3862(3) 0.0440(18) Uani 1 1 d . . . . .
C21 C 0.7046(7) 0.3916(6) 0.3022(3) 0.047(2) Uani 1 1 d . . . . .
C4 C 0.2891(6) 0.9072(6) 0.2614(3) 0.0434(18) Uani 1 1 d . . . . .
N4 N 0.6422(6) 0.5378(5) 0.2698(2) 0.0419(16) Uani 1 1 d . . . . .
C11 C 0.7160(7) 0.5862(7) 0.3929(4) 0.054(2) Uani 1 1 d . . . . .
H11 H 0.720759 0.535778 0.415678 0.064 Uiso 1 1 calc R . . . .
C28 C 0.1428(6) 1.0364(7) 0.2437(4) 0.054(2) Uani 1 1 d . . . . .
H28 H 0.094359 1.081727 0.237945 0.065 Uiso 1 1 calc R . . . .
C22 C 0.7966(8) 0.5703(7) 0.2072(4) 0.055(2) Uani 1 1 d . . . . .
H22A H 0.741857 0.570912 0.185265 0.082 Uiso 1 1 calc GR . . . .
H22B H 0.855044 0.567707 0.188057 0.082 Uiso 1 1 calc GR . . . .
H22C H 0.796334 0.627975 0.227092 0.082 Uiso 1 1 calc GR . . . .
N5 N 0.4109(6) 0.9006(6) 0.3877(3) 0.052(2) Uani 1 1 d . . . . .
C8 C 0.7064(6) 0.7385(6) 0.3270(3) 0.043(2) Uani 1 1 d . . . . .
C13 C 0.7028(7) 0.8225(7) 0.2943(3) 0.053(2) Uani 1 1 d . . . . .
H13A H 0.668560 0.806091 0.264402 0.080 Uiso 1 1 calc GR . . . .
H13B H 0.767448 0.842148 0.286031 0.080 Uiso 1 1 calc GR . . . .
H13C H 0.670115 0.874581 0.310808 0.080 Uiso 1 1 calc GR . . . .
C20 C 0.7756(7) 0.3247(7) 0.3005(3) 0.053(2) Uani 1 1 d . . . . .
H20 H 0.771665 0.269823 0.320398 0.064 Uiso 1 1 calc R . . . .
C10 C 0.7961(7) 0.6140(8) 0.3658(4) 0.057(2) Uani 1 1 d . . . . .
H10 H 0.854196 0.581035 0.369942 0.069 Uiso 1 1 calc R . . . .
C19 C 0.8516(7) 0.3368(7) 0.2704(3) 0.055(2) Uani 1 1 d . . . . .
H19 H 0.899564 0.289595 0.269871 0.066 Uiso 1 1 calc R . . . .
C23 C 0.6213(8) 0.3807(7) 0.3357(3) 0.050(2) Uani 1 1 d . . . . .
H23A H 0.631524 0.418674 0.365069 0.075 Uiso 1 1 calc GR . . . .
H23B H 0.614255 0.313880 0.344704 0.075 Uiso 1 1 calc GR . . . .
H23C H 0.563727 0.402334 0.319149 0.075 Uiso 1 1 calc GR . . . .
C9 C 0.7913(7) 0.6883(8) 0.3336(4) 0.054(2) Uani 1 1 d . . . . .
H9 H 0.845978 0.705931 0.315617 0.065 Uiso 1 1 calc R . . . .
C15 C 0.5873(6) 0.5962(6) 0.2645(3) 0.0401(16) Uani 1 1 d . . . . .
C18 C 0.8617(7) 0.4164(7) 0.2400(3) 0.053(2) Uani 1 1 d . . . . .
H18 H 0.915887 0.423441 0.219849 0.064 Uiso 1 1 calc R . . . .
C24 C 0.4377(8) 0.9059(7) 0.3428(4) 0.056(2) Uani 1 1 d . . . . .
C25 C 0.3601(8) 0.8150(9) 0.4071(3) 0.063(3) Uani 1 1 d . . . . .
H25A H 0.341214 0.774041 0.379992 0.094 Uiso 1 1 calc GR . . . .
H25B H 0.303671 0.835165 0.425094 0.094 Uiso 1 1 calc GR . . . .
H25C H 0.402364 0.779897 0.428945 0.094 Uiso 1 1 calc GR . . . .
C14 C 0.5446(7) 0.6048(7) 0.4149(3) 0.052(2) Uani 1 1 d . . . . .
H14A H 0.517630 0.661166 0.430392 0.077 Uiso 1 1 calc GR . . . .
H14B H 0.562511 0.558726 0.439902 0.077 Uiso 1 1 calc GR . . . .
H14C H 0.497571 0.576521 0.393044 0.077 Uiso 1 1 calc GR . . . .
C26 C 0.4395(9) 0.9671(9) 0.4239(4) 0.075(4) Uani 1 1 d . . . . .
H26A H 0.508770 0.968224 0.425958 0.112 Uiso 1 1 calc GR . . . .
H26B H 0.413056 0.948395 0.455459 0.112 Uiso 1 1 calc GR . . . .
H26C H 0.416208 1.030216 0.415178 0.112 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.381(2) . ?
Pt1 N1 2.039(7) . ?
Pt1 C6 1.996(8) . ?
Pt1 C15 1.911(9) . ?
N2 C6 1.431(11) . ?
N2 C5 1.393(10) . ?
N2 C24 1.471(13) . ?
N1 C1 1.367(11) . ?
N1 C5 1.332(11) . ?
C16 C17 1.402(13) . ?
C16 C21 1.392(13) . ?
C16 N4 1.402(10) . ?
N3 C7 1.416(11) . ?
N3 C6 1.279(11) . ?
O1 C24 1.229(12) . ?
C1 H1 0.9500 . ?
C1 C2 1.344(13) . ?
C7 C12 1.412(13) . ?
C7 C8 1.405(12) . ?
C3 C2 1.405(14) . ?
C3 C27 1.428(12) . ?
C3 C4 1.427(12) . ?
C2 H2 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.362(12) . ?
C29 C28 1.403(14) . ?
C5 C4 1.436(11) . ?
C27 H27 0.9500 . ?
C27 C28 1.341(14) . ?
C17 C22 1.515(13) . ?
C17 C18 1.383(13) . ?
C30 H30 0.9500 . ?
C30 C4 1.415(13) . ?
C12 C11 1.385(14) . ?
C12 C14 1.496(13) . ?
C21 C20 1.378(13) . ?
C21 C23 1.501(14) . ?
N4 C15 1.142(11) . ?
C11 H11 0.9500 . ?
C11 C10 1.409(15) . ?
C28 H28 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
N5 C24 1.292(14) . ?
N5 C25 1.504(14) . ?
N5 C26 1.427(13) . ?
C8 C13 1.489(13) . ?
C8 C9 1.404(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 H20 0.9500 . ?
C20 C19 1.366(15) . ?
C10 H10 0.9500 . ?
C10 C9 1.375(15) . ?
C19 H19 0.9500 . ?
C19 C18 1.407(14) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C9 H9 0.9500 . ?
C18 H18 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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 Cl1 95.1(2) . . ?
C6 Pt1 Cl1 169.4(2) . . ?
C6 Pt1 N1 80.8(3) . . ?
C15 Pt1 Cl1 86.6(2) . . ?
C15 Pt1 N1 177.2(3) . . ?
C15 Pt1 C6 97.8(3) . . ?
C6 N2 C24 111.3(7) . . ?
C5 N2 C6 117.0(7) . . ?
C5 N2 C24 122.9(7) . . ?
C1 N1 Pt1 124.1(6) . . ?
C5 N1 Pt1 115.0(5) . . ?
C5 N1 C1 120.9(7) . . ?
C21 C16 C17 124.5(8) . . ?
C21 C16 N4 119.5(9) . . ?
N4 C16 C17 115.9(8) . . ?
C6 N3 C7 123.5(7) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 N1 121.9(9) . . ?
C2 C1 H1 119.0 . . ?
C12 C7 N3 119.1(8) . . ?
C8 C7 N3 118.9(8) . . ?
C8 C7 C12 121.6(8) . . ?
N2 C6 Pt1 111.7(6) . . ?
N3 C6 Pt1 134.3(7) . . ?
N3 C6 N2 113.6(7) . . ?
C2 C3 C27 122.2(9) . . ?
C2 C3 C4 119.5(8) . . ?
C4 C3 C27 118.3(9) . . ?
C1 C2 C3 119.9(9) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C30 C29 H29 119.6 . . ?
C30 C29 C28 120.8(10) . . ?
C28 C29 H29 119.6 . . ?
N2 C5 C4 123.4(8) . . ?
N1 C5 N2 115.5(7) . . ?
N1 C5 C4 121.1(7) . . ?
C3 C27 H27 119.5 . . ?
C28 C27 C3 121.0(9) . . ?
C28 C27 H27 119.5 . . ?
C16 C17 C22 121.8(8) . . ?
C18 C17 C16 117.1(9) . . ?
C18 C17 C22 121.2(9) . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C4 120.4(9) . . ?
C4 C30 H30 119.8 . . ?
C7 C12 C14 120.3(9) . . ?
C11 C12 C7 118.7(9) . . ?
C11 C12 C14 121.0(9) . . ?
C16 C21 C23 121.9(8) . . ?
C20 C21 C16 116.7(10) . . ?
C20 C21 C23 121.3(9) . . ?
C3 C4 C5 116.6(8) . . ?
C30 C4 C3 118.7(8) . . ?
C30 C4 C5 124.6(8) . . ?
C15 N4 C16 173.7(9) . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 119.9(10) . . ?
C10 C11 H11 120.0 . . ?
C29 C28 H28 119.7 . . ?
C27 C28 C29 120.6(8) . . ?
C27 C28 H28 119.7 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 N5 C25 121.7(9) . . ?
C24 N5 C26 123.0(10) . . ?
C26 N5 C25 114.5(9) . . ?
C7 C8 C13 121.5(8) . . ?
C9 C8 C7 117.9(9) . . ?
C9 C8 C13 120.6(9) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.4(10) . . ?
C19 C20 H20 119.8 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.9(10) . . ?
C9 C10 H10 119.6 . . ?
C20 C19 H19 118.7 . . ?
C20 C19 C18 122.6(9) . . ?
C18 C19 H19 118.7 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(10) . . ?
C10 C9 H9 119.6 . . ?
N4 C15 Pt1 172.1(7) . . ?
C17 C18 C19 118.7(10) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
O1 C24 N2 117.1(10) . . ?
O1 C24 N5 124.7(10) . . ?
N5 C24 N2 118.2(9) . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N5 C26 H26A 109.5 . . ?
N5 C26 H26B 109.5 . . ?
N5 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

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
Pt1 N1 C1 C2 -179.8(7) . . . . ?
Pt1 N1 C5 N2 -0.3(9) . . . . ?
Pt1 N1 C5 C4 -179.2(6) . . . . ?
N2 C5 C4 C3 -179.4(8) . . . . ?
N2 C5 C4 C30 -1.8(14) . . . . ?
N1 C1 C2 C3 -1.7(13) . . . . ?
N1 C5 C4 C3 -0.6(12) . . . . ?
N1 C5 C4 C30 177.0(8) . . . . ?
C16 C17 C18 C19 1.2(12) . . . . ?
C16 C21 C20 C19 0.9(13) . . . . ?
N3 C7 C12 C11 -175.5(8) . . . . ?
N3 C7 C12 C14 3.6(12) . . . . ?
N3 C7 C8 C13 -2.4(12) . . . . ?
N3 C7 C8 C9 177.2(7) . . . . ?
C1 N1 C5 N2 177.6(7) . . . . ?
C1 N1 C5 C4 -1.3(12) . . . . ?
C7 N3 C6 Pt1 2.3(13) . . . . ?
C7 N3 C6 N2 -169.9(7) . . . . ?
C7 C12 C11 C10 -0.3(13) . . . . ?
C7 C8 C9 C10 -3.3(13) . . . . ?
C6 N2 C5 N1 2.6(11) . . . . ?
C6 N2 C5 C4 -178.5(8) . . . . ?
C6 N2 C24 O1 89.6(11) . . . . ?
C6 N2 C24 N5 -90.1(11) . . . . ?
C6 N3 C7 C12 -112.2(9) . . . . ?
C6 N3 C7 C8 75.1(11) . . . . ?
C3 C27 C28 C29 -1.2(14) . . . . ?
C2 C3 C27 C28 178.0(9) . . . . ?
C2 C3 C4 C5 1.4(12) . . . . ?
C2 C3 C4 C30 -176.4(8) . . . . ?
C29 C30 C4 C3 -2.0(13) . . . . ?
C29 C30 C4 C5 -179.6(9) . . . . ?
C5 N2 C6 Pt1 -3.7(9) . . . . ?
C5 N2 C6 N3 170.3(7) . . . . ?
C5 N2 C24 O1 -56.8(13) . . . . ?
C5 N2 C24 N5 123.5(10) . . . . ?
C5 N1 C1 C2 2.5(13) . . . . ?
C27 C3 C2 C1 -179.1(8) . . . . ?
C27 C3 C4 C5 -179.8(8) . . . . ?
C27 C3 C4 C30 2.4(12) . . . . ?
C17 C16 C21 C20 -0.8(13) . . . . ?
C17 C16 C21 C23 178.9(8) . . . . ?
C30 C29 C28 C27 1.7(14) . . . . ?
C12 C7 C8 C13 -174.9(8) . . . . ?
C12 C7 C8 C9 4.7(12) . . . . ?
C12 C11 C10 C9 1.6(14) . . . . ?
C21 C16 C17 C22 179.3(8) . . . . ?
C21 C16 C17 C18 -0.2(13) . . . . ?
C21 C20 C19 C18 0.0(15) . . . . ?
C4 C3 C2 C1 -0.3(13) . . . . ?
C4 C3 C27 C28 -0.8(13) . . . . ?
N4 C16 C17 C22 1.5(12) . . . . ?
N4 C16 C17 C18 -178.0(8) . . . . ?
N4 C16 C21 C20 176.9(8) . . . . ?
N4 C16 C21 C23 -3.3(13) . . . . ?
C11 C10 C9 C8 0.2(14) . . . . ?
C28 C29 C30 C4 -0.1(14) . . . . ?
C22 C17 C18 C19 -178.4(8) . . . . ?
C8 C7 C12 C11 -2.9(12) . . . . ?
C8 C7 C12 C14 176.1(8) . . . . ?
C13 C8 C9 C10 176.3(8) . . . . ?
C20 C19 C18 C17 -1.1(14) . . . . ?
C23 C21 C20 C19 -178.9(9) . . . . ?
C24 N2 C6 Pt1 -152.3(6) . . . . ?
C24 N2 C6 N3 21.7(10) . . . . ?
C24 N2 C5 N1 147.3(8) . . . . ?
C24 N2 C5 C4 -33.8(13) . . . . ?
C25 N5 C24 N2 2.1(15) . . . . ?
C25 N5 C24 O1 -177.6(10) . . . . ?
C14 C12 C11 C10 -179.4(8) . . . . ?
C26 N5 C24 N2 172.0(9) . . . . ?
C26 N5 C24 O1 -7.6(17) . . . . ?

_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 1.973
_oxdiff_exptl_absorpt_empirical_full_min 0.650
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane'
