# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_exp_1053_auto
_database_code_depnum_ccdc_archive 'CCDC 2321030'
loop_
_audit_author_name
_audit_author_address
'Masahiro Ikeshita'
;Nihon University
Japan
;
_audit_update_record             
;
2023-12-21 deposited with the CCDC.	2024-01-29 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_exp_1053_auto       
;
PROBLEM: Check Calcd Resid. Dens. 0.83Ang From Pt1 8.56 eA-3
RESPONSE: The residual electron density is due to the electrons in the d-orbital
 of the platinum atom.
;
_vrf_PLAT972_exp_1053_auto       
;
PROBLEM: Check Calcd Resid. Dens. 0.76Ang From Pt1 -4.31 eA-3
RESPONSE: The residual electron density is due to the electrons in the d-orbital
 of the platinum atom.
;
_vrf_PLAT973_exp_1053_auto       
;
PROBLEM: Check Calcd Positive Resid. Density on Pt1 2.15 eA-3
RESPONSE: The residual electron density is due to the electrons in the d-orbital
 of the platinum atom.
;
# end Validation Reply Form

_audit_creation_date             2023-06-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H30 N2 O Pt, C4 H8 O2'
_chemical_formula_sum            'C46 H38 N2 O3 Pt'
_chemical_formula_weight         861.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         C42H30N2O1Pt1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8643(3)
_cell_length_b                   11.6179(5)
_cell_length_c                   14.5758(8)
_cell_angle_alpha                77.263(4)
_cell_angle_beta                 82.321(3)
_cell_angle_gamma                84.958(3)
_cell_volume                     1775.15(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12008
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      26.9850
_cell_measurement_theta_min      1.9500
_shelx_estimated_absorpt_T_max   0.593
_shelx_estimated_absorpt_T_min   0.428
_exptl_absorpt_coefficient_mu    3.998
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             860
_exptl_crystal_recrystallization_method EtOAc
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.146
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36661
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.548
_diffrn_reflns_theta_min         1.895
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00 109.00   0.50    7.34    --   20.00  54.00 -41.62  232
  2  ω    -74.00 -24.00   0.50    7.34    --   20.00  54.00 153.94  100
  3  ω    -10.00  15.00   0.50    7.34    --   20.00  54.00 153.94   50
  4  ω     57.00 105.00   0.50    7.34    --   20.00  54.00 153.94   96
  5  ω    -58.00 -32.00   0.50    7.34    --   20.00  54.00 -30.00   52
  6  ω     12.00 109.00   0.50    7.34    --   20.00  54.00 -30.00  194
  7  ω    -70.00 -26.00   0.50    7.34    --   20.00  54.00-120.00   88
  8  ω    -19.00  25.00   0.50    7.34    --   20.00  54.00-120.00   88
  9  ω     70.00  96.00   0.50    7.34    --   20.00  54.00-120.00   52
 10  ω     -7.00  39.00   0.50    7.34    --   20.00  54.00  60.00   92
 11  ω     46.00  78.00   0.50    7.34    --   20.00  54.00  60.00   64
 12  ω    -68.00 -43.00   0.50    7.34    --   20.00  54.00  30.00   50
 13  ω    -41.00 110.00   0.50    7.34    --   20.00  54.00  30.00  302
 14  ω    -74.00  93.00   0.50    7.34    --   20.00  54.00  90.00  334
 15  ω    -69.00 -42.00   0.50    7.34    --   20.00  54.00-150.00   54
 16  ω     45.00  72.00   0.50    7.34    --   20.00  54.00-150.00   54
 17  ω    -62.00  89.00   0.50    7.34    --   20.00  54.00 120.00  302
 18  ω    -73.00 -48.00   0.50    7.34    --   20.00  54.00-180.00   50
 19  ω    -70.00 -44.00   0.50    7.34    --   20.00  54.00   0.00   52
 20  ω    -73.00 -46.00   0.50    7.34    --   20.00  54.00 -41.62   54
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II (JP)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0071046000
_diffrn_orient_matrix_UB_12      -0.0010599000
_diffrn_orient_matrix_UB_13      0.0478561000
_diffrn_orient_matrix_UB_21      0.0651030000
_diffrn_orient_matrix_UB_22      0.0041365000
_diffrn_orient_matrix_UB_23      -0.0123446000
_diffrn_orient_matrix_UB_31      -0.0081828000
_diffrn_orient_matrix_UB_32      0.0625614000
_diffrn_orient_matrix_UB_33      -0.0090202000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8651
_reflns_number_total             10206
_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 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         8.129
_refine_diff_density_min         -4.204
_refine_diff_density_rms         0.346
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         10206
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0722
_refine_ls_restrained_S_all      1.081
_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)+(0.1309P)²+2.0710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.1933
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H51A,H51B,H51C} of C51, All C(H,H) groups
 At 1.5 times of:
  {H52A,H52B,H52C} of C52, {H23A,H23B,H23C} of C23
2. Rigid bond restraints
 C51, C50, O47, C48, O49
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C4, C9, C11, C10
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
C51 \\sim C50 \\sim O47 \\sim C48 \\sim O49: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008 within 1.7A
C4 \\sim C9 \\sim C10 \\sim C11: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008 within 1.7A
4.a Ternary CH refined with riding coordinates:
 C22(H22)
4.b Secondary CH2 refined with riding coordinates:
 C50(H50A,H50B)
4.c Aromatic/amide H refined with riding coordinates:
 C39(H39), C20(H20), C14(H14), C44(H44), C11(H11), C13(H13), C38(H38),
 C19(H19), C33(H33), C36(H36), C42(H42), C45(H45), C30(H30), C34(H34), C43(H43),
  C35(H35), C7(H7), C10(H10), C8(H8), C18(H18), C16(H16), C29(H29), C17(H17),
 C26(H26), C27(H27), C28(H28)
4.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C52(H52A,H52B,H52C), C51(H51A,H51B,H51C)
;
_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 0.76582(2) 0.37964(2) 0.70725(2) 0.01738(10) Uani 1 1 d . . . . .
O24 O 0.6881(5) 0.5500(4) 0.6977(4) 0.0205(10) Uani 1 1 d . . . . .
N40 N 0.8382(6) 0.4126(6) 0.5706(5) 0.0212(12) Uani 1 1 d . . . . .
N21 N 0.6799(6) 0.3395(6) 0.8388(5) 0.0243(13) Uani 1 1 d . . . . .
C39 C 0.8183(7) 0.5215(6) 0.5119(6) 0.0231(15) Uani 1 1 d . . . . .
H39 H 0.771191 0.582740 0.537065 0.028 Uiso 1 1 calc R U . . .
C4 C 0.6537(7) 0.7322(6) 0.7464(6) 0.0222(12) Uani 1 1 d . U . . .
C12 C 0.6766(7) 0.9181(6) 0.6304(6) 0.0243(15) Uani 1 1 d . . . . .
C41 C 0.9293(7) 0.2214(7) 0.6140(6) 0.0227(15) Uani 1 1 d . . . . .
C5 C 0.6692(6) 0.6032(6) 0.7674(5) 0.0198(14) Uani 1 1 d . . . . .
C31 C 0.8996(6) 0.3225(6) 0.5367(6) 0.0202(14) Uani 1 1 d . . . . .
C15 C 0.5926(7) 0.8287(7) 0.4870(6) 0.0261(16) Uani 1 1 d . . . . .
C20 C 0.6502(7) 0.4175(7) 0.8919(5) 0.0227(14) Uani 1 1 d . . . . .
H20 H 0.615090 0.388662 0.955281 0.027 Uiso 1 1 calc R U . . .
C46 C 0.8713(7) 0.2310(7) 0.7043(6) 0.0236(15) Uani 1 1 d . . . . .
C14 C 0.6510(8) 0.9397(8) 0.4652(7) 0.0304(18) Uani 1 1 d . . . . .
H14 H 0.666396 0.981072 0.401246 0.036 Uiso 1 1 calc R U . . .
C3 C 0.6387(6) 0.8013(6) 0.6531(6) 0.0207(14) Uani 1 1 d . . . . .
C44 C 0.9949(8) 0.0545(8) 0.7705(7) 0.0309(18) Uani 1 1 d . . . . .
H44 H 1.015094 -0.004035 0.823903 0.037 Uiso 1 1 calc R U . . .
C11 C 0.7057(8) 0.9718(7) 0.7042(7) 0.0299(14) Uani 1 1 d . U . . .
H11 H 0.733396 1.049775 0.688021 0.036 Uiso 1 1 calc R U . . .
C13 C 0.6839(7) 0.9850(7) 0.5354(7) 0.0308(18) Uani 1 1 d . . . . .
H13 H 0.712468 1.062601 0.521302 0.037 Uiso 1 1 calc R U . . .
C9 C 0.6712(7) 0.7888(6) 0.8192(6) 0.0240(11) Uani 1 1 d . U . . .
C2 C 0.5808(6) 0.7607(7) 0.5825(5) 0.0199(13) Uani 1 1 d . . . . .
C38 C 0.8647(7) 0.5430(7) 0.4188(6) 0.0218(14) Uani 1 1 d . . . . .
H38 H 0.857264 0.620456 0.380901 0.026 Uiso 1 1 calc R U . . .
C37 C 0.9241(6) 0.4492(7) 0.3788(6) 0.0216(14) Uani 1 1 d . . . . .
C19 C 0.5034(7) 0.6653(6) 0.6043(6) 0.0217(14) Uani 1 1 d . . . . .
H19 H 0.489094 0.622754 0.667977 0.026 Uiso 1 1 calc R U . . .
C33 C 0.9812(8) 0.2391(8) 0.3934(7) 0.0321(18) Uani 1 1 d . . . . .
H33 H 0.981967 0.160491 0.429821 0.039 Uiso 1 1 calc R U . . .
C32 C 0.9351(6) 0.3345(7) 0.4366(6) 0.0229(15) Uani 1 1 d . . . . .
C36 C 0.9749(7) 0.4667(8) 0.2818(6) 0.0264(16) Uani 1 1 d . . . . .
H36 H 0.972535 0.544065 0.243175 0.032 Uiso 1 1 calc R U . . .
C42 C 1.0210(7) 0.1323(8) 0.6034(6) 0.0287(17) Uani 1 1 d . . . . .
H42 H 1.062767 0.129114 0.542346 0.034 Uiso 1 1 calc R U . . .
C25 C 0.4873(7) 0.2325(7) 0.8461(6) 0.0237(15) Uani 1 1 d . . . . .
C45 C 0.9064(7) 0.1479(7) 0.7827(6) 0.0248(15) Uani 1 1 d . . . . .
H45 H 0.870550 0.154282 0.844666 0.030 Uiso 1 1 calc R U . . .
C30 C 0.4264(8) 0.1278(8) 0.8558(6) 0.0288(17) Uani 1 1 d . . . . .
H30 H 0.470041 0.053588 0.874947 0.035 Uiso 1 1 calc R U . . .
C6 C 0.6656(7) 0.5425(7) 0.8637(5) 0.0228(14) Uani 1 1 d . . . . .
C34 C 1.0252(8) 0.2607(9) 0.2976(7) 0.036(2) Uani 1 1 d . . . . .
H34 H 1.054855 0.195979 0.269053 0.043 Uiso 1 1 calc R U . . .
C43 C 1.0517(8) 0.0479(8) 0.6821(7) 0.035(2) Uani 1 1 d . . . . .
H43 H 1.112332 -0.014384 0.674439 0.042 Uiso 1 1 calc R U . . .
O47 O 0.8439(10) 0.2489(12) 0.1089(8) 0.087(2) Uani 1 1 d . U . . .
C35 C 1.0270(7) 0.3738(9) 0.2431(7) 0.0328(19) Uani 1 1 d . . . . .
H35 H 1.064139 0.387316 0.179144 0.039 Uiso 1 1 calc R U . . .
C22 C 0.6200(7) 0.2227(7) 0.8709(6) 0.0248(15) Uani 1 1 d . . . . .
H22 H 0.668142 0.167944 0.833114 0.030 Uiso 1 1 calc R U . . .
C7 C 0.6625(8) 0.6072(8) 0.9369(6) 0.0296(17) Uani 1 1 d . . . . .
H7 H 0.653203 0.566783 1.001352 0.036 Uiso 1 1 calc R U . . .
C10 C 0.6947(8) 0.9149(7) 0.7947(7) 0.0287(12) Uani 1 1 d . U . . .
H10 H 0.702123 0.955994 0.843163 0.034 Uiso 1 1 calc R U . . .
C8 C 0.6726(8) 0.7249(7) 0.9150(6) 0.0306(18) Uani 1 1 d . . . . .
H8 H 0.680704 0.765857 0.963404 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4474(8) 0.6318(8) 0.5352(7) 0.0314(18) Uani 1 1 d . . . . .
H18 H 0.394044 0.567968 0.551704 0.038 Uiso 1 1 calc R U . . .
C23 C 0.6319(9) 0.1664(8) 0.9748(7) 0.035(2) Uani 1 1 d . . . . .
H23A H 0.714051 0.179701 0.989822 0.053 Uiso 1 1 calc R U . . .
H23B H 0.621814 0.081255 0.985911 0.053 Uiso 1 1 calc R U . . .
H23C H 0.567261 0.202192 1.015352 0.053 Uiso 1 1 calc R U . . .
C16 C 0.5398(9) 0.7892(8) 0.4167(6) 0.0327(18) Uani 1 1 d . . . . .
H16 H 0.553378 0.830455 0.352614 0.039 Uiso 1 1 calc R U . . .
C29 C 0.3046(9) 0.1308(8) 0.8381(7) 0.036(2) Uani 1 1 d . . . . .
H29 H 0.264719 0.059073 0.846505 0.043 Uiso 1 1 calc R U . . .
C17 C 0.4699(9) 0.6931(9) 0.4395(7) 0.037(2) Uani 1 1 d . . . . .
H17 H 0.436147 0.667001 0.391257 0.044 Uiso 1 1 calc R U . . .
C26 C 0.4199(8) 0.3399(7) 0.8176(6) 0.0293(17) Uani 1 1 d . . . . .
H26 H 0.458007 0.412331 0.810685 0.035 Uiso 1 1 calc R U . . .
C27 C 0.2978(8) 0.3411(9) 0.7995(7) 0.036(2) Uani 1 1 d . . . . .
H27 H 0.253026 0.414722 0.780832 0.044 Uiso 1 1 calc R U . . .
C28 C 0.2399(9) 0.2378(9) 0.8080(7) 0.039(2) Uani 1 1 d . . . . .
H28 H 0.156976 0.239918 0.793419 0.047 Uiso 1 1 calc R U . . .
C52 C 0.6882(13) 0.1918(13) 0.2287(10) 0.069(4) Uani 1 1 d . . . . .
H52A H 0.735380 0.117238 0.223243 0.103 Uiso 1 1 calc R U . . .
H52B H 0.602077 0.187208 0.217376 0.103 Uiso 1 1 calc R U . . .
H52C H 0.689331 0.205881 0.292448 0.103 Uiso 1 1 calc R U . . .
C48 C 0.7399(17) 0.280(2) 0.1648(13) 0.090(3) Uani 1 1 d . U . . .
O49 O 0.6975(14) 0.3840(15) 0.1360(10) 0.117(3) Uani 1 1 d . U . . .
C50 C 0.8982(16) 0.3504(19) 0.0392(12) 0.092(3) Uani 1 1 d . U . . .
H50A H 0.918047 0.413204 0.070087 0.110 Uiso 1 1 calc R U . . .
H50B H 0.843036 0.384344 -0.010130 0.110 Uiso 1 1 calc R U . . .
C51 C 1.0151(18) 0.287(2) -0.0004(13) 0.105(4) Uani 1 1 d . U . . .
H51A H 1.047767 0.333981 -0.061834 0.125 Uiso 1 1 calc R U . . .
H51B H 0.994891 0.209376 -0.008461 0.125 Uiso 1 1 calc R U . . .
H51C H 1.077989 0.276256 0.043602 0.125 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 O24 2.065(5) . ?
Pt1 N40 2.007(7) . ?
Pt1 N21 1.993(7) . ?
Pt1 C46 1.992(8) . ?
O24 C5 1.286(9) . ?
N40 C39 1.380(10) . ?
N40 C31 1.343(9) . ?
N21 C20 1.310(10) . ?
N21 C22 1.509(10) . ?
C39 H39 0.9500 . ?
C39 C38 1.359(11) . ?
C4 C5 1.461(10) . ?
C4 C3 1.441(11) . ?
C4 C9 1.406(10) . ?
C12 C3 1.409(10) . ?
C12 C11 1.437(12) . ?
C12 C13 1.426(12) . ?
C41 C31 1.483(11) . ?
C41 C46 1.405(11) . ?
C41 C42 1.391(11) . ?
C5 C6 1.423(11) . ?
C31 C32 1.438(11) . ?
C15 C14 1.441(12) . ?
C15 C2 1.437(11) . ?
C15 C16 1.413(12) . ?
C20 H20 0.9500 . ?
C20 C6 1.438(11) . ?
C46 C45 1.396(11) . ?
C14 H14 0.9500 . ?
C14 C13 1.349(13) . ?
C3 C2 1.454(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.410(12) . ?
C44 C43 1.367(14) . ?
C11 H11 0.9500 . ?
C11 C10 1.335(13) . ?
C13 H13 0.9500 . ?
C9 C10 1.466(10) . ?
C9 C8 1.431(12) . ?
C2 C19 1.406(10) . ?
C38 H38 0.9500 . ?
C38 C37 1.414(10) . ?
C37 C32 1.415(11) . ?
C37 C36 1.425(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.384(11) . ?
C33 H33 0.9500 . ?
C33 C32 1.414(11) . ?
C33 C34 1.389(13) . ?
C36 H36 0.9500 . ?
C36 C35 1.370(12) . ?
C42 H42 0.9500 . ?
C42 C43 1.393(12) . ?
C25 C30 1.406(11) . ?
C25 C22 1.522(11) . ?
C25 C26 1.400(11) . ?
C45 H45 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.378(12) . ?
C6 C7 1.429(11) . ?
C34 H34 0.9500 . ?
C34 C35 1.378(14) . ?
C43 H43 0.9500 . ?
O47 C48 1.37(2) . ?
O47 C50 1.48(2) . ?
C35 H35 0.9500 . ?
C22 H22 1.0000 . ?
C22 C23 1.529(11) . ?
C7 H7 0.9500 . ?
C7 C8 1.345(12) . ?
C10 H10 0.9500 . ?
C8 H8 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.419(13) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C16 H16 0.9500 . ?
C16 C17 1.362(13) . ?
C29 H29 0.9500 . ?
C29 C28 1.386(14) . ?
C17 H17 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.385(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(13) . ?
C28 H28 0.9500 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C52 C48 1.33(2) . ?
C48 O49 1.25(2) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.52(3) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 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
N40 Pt1 O24 92.6(2) . . ?
N21 Pt1 O24 88.3(2) . . ?
N21 Pt1 N40 174.2(2) . . ?
C46 Pt1 O24 168.7(3) . . ?
C46 Pt1 N40 80.1(3) . . ?
C46 Pt1 N21 99.8(3) . . ?
C5 O24 Pt1 124.1(5) . . ?
C39 N40 Pt1 121.3(5) . . ?
C31 N40 Pt1 117.5(5) . . ?
C31 N40 C39 121.0(7) . . ?
C20 N21 Pt1 123.1(5) . . ?
C20 N21 C22 117.0(7) . . ?
C22 N21 Pt1 118.3(5) . . ?
N40 C39 H39 119.3 . . ?
C38 C39 N40 121.3(7) . . ?
C38 C39 H39 119.3 . . ?
C3 C4 C5 123.0(7) . . ?
C9 C4 C5 116.6(7) . . ?
C9 C4 C3 119.8(7) . . ?
C3 C12 C11 119.6(8) . . ?
C3 C12 C13 120.9(7) . . ?
C13 C12 C11 119.5(7) . . ?
C46 C41 C31 114.6(7) . . ?
C42 C41 C31 124.1(7) . . ?
C42 C41 C46 120.6(7) . . ?
O24 C5 C4 118.4(7) . . ?
O24 C5 C6 123.1(7) . . ?
C6 C5 C4 118.5(7) . . ?
N40 C31 C41 111.7(7) . . ?
N40 C31 C32 120.2(7) . . ?
C32 C31 C41 128.0(7) . . ?
C2 C15 C14 119.7(8) . . ?
C16 C15 C14 120.8(8) . . ?
C16 C15 C2 119.4(8) . . ?
N21 C20 H20 116.8 . . ?
N21 C20 C6 126.4(7) . . ?
C6 C20 H20 116.8 . . ?
C41 C46 Pt1 114.5(6) . . ?
C45 C46 Pt1 126.3(6) . . ?
C45 C46 C41 118.4(7) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 C15 120.1(8) . . ?
C13 C14 H14 119.9 . . ?
C4 C3 C2 124.3(6) . . ?
C12 C3 C4 117.9(7) . . ?
C12 C3 C2 117.6(7) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.3(8) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 C12 121.8(7) . . ?
C10 C11 H11 119.1 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(8) . . ?
C14 C13 H13 119.5 . . ?
C4 C9 C10 118.7(8) . . ?
C4 C9 C8 121.5(7) . . ?
C8 C9 C10 119.7(7) . . ?
C15 C2 C3 118.5(7) . . ?
C19 C2 C15 117.7(7) . . ?
C19 C2 C3 123.5(7) . . ?
C39 C38 H38 120.2 . . ?
C39 C38 C37 119.6(7) . . ?
C37 C38 H38 120.2 . . ?
C38 C37 C32 119.4(7) . . ?
C38 C37 C36 122.0(7) . . ?
C32 C37 C36 118.6(7) . . ?
C2 C19 H19 119.2 . . ?
C18 C19 C2 121.6(8) . . ?
C18 C19 H19 119.2 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C34 C33 C32 119.8(9) . . ?
C37 C32 C31 117.4(7) . . ?
C33 C32 C31 123.9(8) . . ?
C33 C32 C37 118.7(8) . . ?
C37 C36 H36 119.4 . . ?
C35 C36 C37 121.2(8) . . ?
C35 C36 H36 119.4 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.1(8) . . ?
C43 C42 H42 120.0 . . ?
C30 C25 C22 118.4(7) . . ?
C26 C25 C30 117.7(8) . . ?
C26 C25 C22 123.9(7) . . ?
C46 C45 C44 120.3(8) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C25 C30 H30 119.4 . . ?
C29 C30 C25 121.2(8) . . ?
C29 C30 H30 119.4 . . ?
C5 C6 C20 121.7(7) . . ?
C5 C6 C7 120.2(7) . . ?
C7 C6 C20 117.6(7) . . ?
C33 C34 H34 119.2 . . ?
C35 C34 C33 121.5(8) . . ?
C35 C34 H34 119.2 . . ?
C44 C43 C42 120.2(8) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C48 O47 C50 113.5(16) . . ?
C36 C35 C34 119.5(9) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
N21 C22 C25 111.5(6) . . ?
N21 C22 H22 106.1 . . ?
N21 C22 C23 112.7(7) . . ?
C25 C22 H22 106.1 . . ?
C25 C22 C23 113.6(7) . . ?
C23 C22 H22 106.1 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(8) . . ?
C8 C7 H7 119.8 . . ?
C11 C10 C9 119.7(8) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C9 C8 H8 119.9 . . ?
C7 C8 C9 120.3(7) . . ?
C7 C8 H8 119.9 . . ?
C19 C18 H18 120.1 . . ?
C19 C18 C17 119.8(8) . . ?
C17 C18 H18 120.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.0(8) . . ?
C17 C16 H16 119.5 . . ?
C30 C29 H29 119.7 . . ?
C30 C29 C28 120.5(8) . . ?
C28 C29 H29 119.7 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.1(8) . . ?
C16 C17 H17 120.0 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.3(8) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.3 . . ?
C28 C27 C26 121.5(9) . . ?
C28 C27 H27 119.3 . . ?
C29 C28 H28 120.5 . . ?
C27 C28 C29 118.9(9) . . ?
C27 C28 H28 120.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C52 H52A 109.5 . . ?
C48 C52 H52B 109.5 . . ?
C48 C52 H52C 109.5 . . ?
C52 C48 O47 115.5(19) . . ?
O49 C48 O47 113.3(18) . . ?
O49 C48 C52 129.9(19) . . ?
O47 C50 H50A 112.0 . . ?
O47 C50 H50B 112.0 . . ?
O47 C50 C51 99.0(16) . . ?
H50A C50 H50B 109.6 . . ?
C51 C50 H50A 112.0 . . ?
C51 C50 H50B 112.0 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 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 O24 C5 C4 159.8(5) . . . . ?
Pt1 O24 C5 C6 -18.6(9) . . . . ?
Pt1 N40 C39 C38 -178.3(5) . . . . ?
Pt1 N40 C31 C41 -14.3(8) . . . . ?
Pt1 N40 C31 C32 169.4(5) . . . . ?
Pt1 N21 C20 C6 4.6(11) . . . . ?
Pt1 N21 C22 C25 -87.3(7) . . . . ?
Pt1 N21 C22 C23 143.6(6) . . . . ?
Pt1 C46 C45 C44 -171.5(6) . . . . ?
O24 C5 C6 C20 -16.7(11) . . . . ?
O24 C5 C6 C7 170.8(7) . . . . ?
N40 C39 C38 C37 6.3(11) . . . . ?
N40 C31 C32 C37 11.5(10) . . . . ?
N40 C31 C32 C33 -169.2(7) . . . . ?
N21 C20 C6 C5 25.2(12) . . . . ?
N21 C20 C6 C7 -162.1(8) . . . . ?
C39 N40 C31 C41 170.1(6) . . . . ?
C39 N40 C31 C32 -6.2(10) . . . . ?
C39 C38 C37 C32 -0.5(11) . . . . ?
C39 C38 C37 C36 -179.7(7) . . . . ?
C4 C5 C6 C20 164.9(7) . . . . ?
C4 C5 C6 C7 -7.6(11) . . . . ?
C4 C3 C2 C15 -168.4(7) . . . . ?
C4 C3 C2 C19 18.2(11) . . . . ?
C4 C9 C10 C11 -3.5(12) . . . . ?
C4 C9 C8 C7 2.9(13) . . . . ?
C12 C3 C2 C15 15.1(10) . . . . ?
C12 C3 C2 C19 -158.3(7) . . . . ?
C12 C11 C10 C9 9.6(12) . . . . ?
C41 C31 C32 C37 -164.1(7) . . . . ?
C41 C31 C32 C33 15.2(12) . . . . ?
C41 C46 C45 C44 -2.2(11) . . . . ?
C41 C42 C43 C44 -2.2(13) . . . . ?
C5 C4 C3 C12 -153.5(7) . . . . ?
C5 C4 C3 C2 30.0(11) . . . . ?
C5 C4 C9 C10 161.6(7) . . . . ?
C5 C4 C9 C8 -15.3(11) . . . . ?
C5 C6 C7 C8 -5.2(13) . . . . ?
C31 N40 C39 C38 -2.9(11) . . . . ?
C31 C41 C46 Pt1 -1.2(8) . . . . ?
C31 C41 C46 C45 -171.7(7) . . . . ?
C31 C41 C42 C43 173.0(7) . . . . ?
C15 C14 C13 C12 8.0(12) . . . . ?
C15 C2 C19 C18 4.7(11) . . . . ?
C15 C16 C17 C18 1.0(14) . . . . ?
C20 N21 C22 C25 79.0(9) . . . . ?
C20 N21 C22 C23 -50.1(10) . . . . ?
C20 C6 C7 C8 -178.0(8) . . . . ?
C46 C41 C31 N40 9.9(9) . . . . ?
C46 C41 C31 C32 -174.2(7) . . . . ?
C46 C41 C42 C43 3.3(12) . . . . ?
C14 C15 C2 C3 -5.5(11) . . . . ?
C14 C15 C2 C19 168.3(7) . . . . ?
C14 C15 C16 C17 -170.9(8) . . . . ?
C3 C4 C5 O24 10.3(10) . . . . ?
C3 C4 C5 C6 -171.2(7) . . . . ?
C3 C4 C9 C10 -10.2(11) . . . . ?
C3 C4 C9 C8 173.0(7) . . . . ?
C3 C12 C11 C10 -1.8(12) . . . . ?
C3 C12 C13 C14 2.2(12) . . . . ?
C3 C2 C19 C18 178.2(7) . . . . ?
C11 C12 C3 C4 -11.9(10) . . . . ?
C11 C12 C3 C2 164.9(7) . . . . ?
C11 C12 C13 C14 -176.4(8) . . . . ?
C13 C12 C3 C4 169.5(7) . . . . ?
C13 C12 C3 C2 -13.7(10) . . . . ?
C13 C12 C11 C10 176.9(8) . . . . ?
C9 C4 C5 O24 -161.2(7) . . . . ?
C9 C4 C5 C6 17.3(10) . . . . ?
C9 C4 C3 C12 17.7(10) . . . . ?
C9 C4 C3 C2 -158.8(7) . . . . ?
C2 C15 C14 C13 -6.2(12) . . . . ?
C2 C15 C16 C17 5.1(13) . . . . ?
C2 C19 C18 C17 1.2(13) . . . . ?
C38 C37 C32 C31 -8.1(10) . . . . ?
C38 C37 C32 C33 172.6(7) . . . . ?
C38 C37 C36 C35 -177.0(7) . . . . ?
C37 C36 C35 C34 3.1(12) . . . . ?
C19 C18 C17 C16 -4.2(14) . . . . ?
C33 C34 C35 C36 -5.5(13) . . . . ?
C32 C37 C36 C35 3.8(11) . . . . ?
C32 C33 C34 C35 0.9(13) . . . . ?
C36 C37 C32 C31 171.2(6) . . . . ?
C36 C37 C32 C33 -8.2(10) . . . . ?
C42 C41 C31 N40 -160.4(7) . . . . ?
C42 C41 C31 C32 15.6(12) . . . . ?
C42 C41 C46 Pt1 169.4(6) . . . . ?
C42 C41 C46 C45 -1.1(11) . . . . ?
C25 C30 C29 C28 1.5(14) . . . . ?
C25 C26 C27 C28 -0.6(15) . . . . ?
C45 C44 C43 C42 -1.1(13) . . . . ?
C30 C25 C22 N21 168.9(7) . . . . ?
C30 C25 C22 C23 -62.5(10) . . . . ?
C30 C25 C26 C27 -0.3(13) . . . . ?
C30 C29 C28 C27 -2.4(15) . . . . ?
C6 C7 C8 C9 7.7(13) . . . . ?
C34 C33 C32 C31 -173.3(7) . . . . ?
C34 C33 C32 C37 6.0(11) . . . . ?
C43 C44 C45 C46 3.3(12) . . . . ?
C22 N21 C20 C6 -161.0(7) . . . . ?
C22 C25 C30 C29 177.4(8) . . . . ?
C22 C25 C26 C27 -177.7(9) . . . . ?
C10 C9 C8 C7 -173.9(8) . . . . ?
C8 C9 C10 C11 173.4(8) . . . . ?
C16 C15 C14 C13 169.9(8) . . . . ?
C16 C15 C2 C3 178.4(7) . . . . ?
C16 C15 C2 C19 -7.9(11) . . . . ?
C26 C25 C30 C29 -0.1(13) . . . . ?
C26 C25 C22 N21 -13.8(11) . . . . ?
C26 C25 C22 C23 114.8(9) . . . . ?
C26 C27 C28 C29 2.0(16) . . . . ?
C48 O47 C50 C51 174.0(13) . . . . ?
C50 O47 C48 C52 -179.8(14) . . . . ?
C50 O47 C48 O49 12(2) . . . . ?

_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 1.156
_oxdiff_exptl_absorpt_empirical_full_min 0.813
####################################################################### 
# 
# 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_exp_1084_auto
_database_code_depnum_ccdc_archive 'CCDC 2321031'
loop_
_audit_author_name
_audit_author_address
'Masahiro Ikeshita'
;Nihon University
Japan
;
_audit_update_record             
;
2023-12-21 deposited with the CCDC.	2024-01-29 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT410_exp_1084_auto       
;
PROBLEM: Short Intra H...H Contact H22 ..H34 . 1.79 Ang.
RESPONSE: The short intramolecular hydrogen distance is due to the structural 
constraint of the phenylisoquinoline skeleton
;
# end Validation Reply Form
_audit_creation_date             2023-07-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
ikeshita.masahiro@nihon-u.ac.jp
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H24 N2 O Pt'
_chemical_formula_sum            'C30 H24 N2 O Pt'
_chemical_formula_weight         623.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C30 H24 N2 O1 Pt1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.8288(4)
_cell_length_b                   15.4199(5)
_cell_length_c                   12.4090(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.051(3)
_cell_angle_gamma                90
_cell_volume                     2241.08(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9533
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      29.7320
_cell_measurement_theta_min      2.1400
_shelx_estimated_absorpt_T_max   0.375
_shelx_estimated_absorpt_T_min   0.179
_exptl_absorpt_coefficient_mu    6.288
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_recrystallization_method DMSO
_exptl_crystal_size_max          0.418
_exptl_crystal_size_mid          0.299
_exptl_crystal_size_min          0.194
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24394
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.566
_diffrn_reflns_theta_min         2.184
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     17.00  49.00   0.50    3.79    --   20.00  54.00 -90.00   64
  2  ω     62.00  90.00   0.50    3.79    --   20.00  54.00 -90.00   56
  3  ω    -74.00 109.00   0.50    3.79    --   20.00  54.00  30.00  366
  4  ω     16.00  41.00   0.50    3.79    --   20.00  54.00-150.00   50
  5  ω    -74.00 -23.00   0.50    3.79    --   20.00  54.00   0.00  102
  6  ω    -53.00  63.00   0.50    3.79    --   20.00  54.00 120.00  232
  7  ω     85.00 110.00   0.50    3.79    --   20.00  54.00 120.00   50
  8  ω    -74.00 -49.00   0.50    3.79    --   20.00  54.00 -30.00   50
  9  ω     10.00  35.00   0.50    3.79    --   20.00  54.00 -30.00   50
 10  ω     61.00 108.00   0.50    3.79    --   20.00  54.00 -30.00   94
 11  ω      6.00  31.00   0.50    3.79    --   20.00  54.00-180.00   50
 12  ω     37.00  62.00   0.50    3.79    --   20.00  54.00-120.00   50
 13  ω    -70.00 -45.00   0.50    3.79    --   20.00  54.00 -90.00   50
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II (JP)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0468335000
_diffrn_orient_matrix_UB_12      -0.0057766000
_diffrn_orient_matrix_UB_13      0.0292835000
_diffrn_orient_matrix_UB_21      -0.0027394000
_diffrn_orient_matrix_UB_22      0.0454580000
_diffrn_orient_matrix_UB_23      0.0078015000
_diffrn_orient_matrix_UB_31      -0.0383400000
_diffrn_orient_matrix_UB_32      0.0038083000
_diffrn_orient_matrix_UB_33      -0.0491349000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5361
_reflns_number_total             6539
_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 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.833
_refine_diff_density_min         -1.290
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         6539
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.030
_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)+(0.0227P)²+3.6477P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0605
_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 Ternary CH refined with riding coordinates:
 C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C28(H28), C3(H3), C4(H4), C32(H32), C27(H27), C6(H6), C33(H33),
 C18(H18), C8(H8), C31(H31), C34(H34), C16(H16), C24(H24), C25(H25), C22(H22),
 C14(H14), C23(H23), C17(H17), C15(H15)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C)
;
_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 0.33012(2) 0.52398(2) 0.32346(2) 0.01520(4) Uani 1 1 d . . . . .
O12 O 0.3608(2) 0.49629(15) 0.1646(2) 0.0206(5) Uani 1 1 d . . . . .
N9 N 0.1944(2) 0.4432(2) 0.2953(2) 0.0184(6) Uani 1 1 d . . . . .
N19 N 0.4603(2) 0.60818(18) 0.3497(2) 0.0163(6) Uani 1 1 d . . . . .
C30 C 0.3326(3) 0.5450(2) 0.4816(3) 0.0163(7) Uani 1 1 d . . . . .
C29 C 0.4179(3) 0.6042(2) 0.5282(3) 0.0161(7) Uani 1 1 d . . . . .
C7 C 0.3562(3) 0.4161(2) 0.1314(3) 0.0181(7) Uani 1 1 d . . . . .
C20 C 0.4858(3) 0.6428(2) 0.4505(3) 0.0166(7) Uani 1 1 d . . . . .
C5 C 0.4234(3) 0.3050(2) 0.0163(3) 0.0230(8) Uani 1 1 d . . . . .
H5 H 0.473341 0.288578 -0.033786 0.028 Uiso 1 1 calc R U . . .
C28 C 0.5181(3) 0.6317(2) 0.2661(3) 0.0203(7) Uani 1 1 d . . . . .
H28 H 0.496106 0.606957 0.196135 0.024 Uiso 1 1 calc R U . . .
C3 C 0.2794(3) 0.2681(2) 0.1237(3) 0.0222(8) Uani 1 1 d . . . . .
H3 H 0.227948 0.226877 0.146333 0.027 Uiso 1 1 calc R U . . .
C4 C 0.3495(3) 0.2436(2) 0.0498(3) 0.0249(8) Uani 1 1 d . . . . .
H4 H 0.347602 0.186107 0.022226 0.030 Uiso 1 1 calc R U . . .
C32 C 0.2892(3) 0.5155(2) 0.6641(3) 0.0214(7) Uani 1 1 d . . . . .
H32 H 0.243164 0.486577 0.709737 0.026 Uiso 1 1 calc R U . . .
C27 C 0.6057(3) 0.6890(2) 0.2799(3) 0.0243(8) Uani 1 1 d . . . . .
H27 H 0.647184 0.701625 0.221486 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4257(3) 0.3884(2) 0.0538(3) 0.0201(7) Uani 1 1 d . . . . .
H6 H 0.475428 0.429055 0.027038 0.024 Uiso 1 1 calc R U . . .
C21 C 0.5720(3) 0.7096(2) 0.4683(3) 0.0194(7) Uani 1 1 d . . . . .
C13 C 0.0079(3) 0.5173(2) 0.2552(3) 0.0206(7) Uani 1 1 d . . . . .
C33 C 0.3726(3) 0.5726(3) 0.7082(3) 0.0229(8) Uani 1 1 d . . . . .
H33 H 0.384349 0.582890 0.784476 0.028 Uiso 1 1 calc R U . . .
C18 C -0.0249(3) 0.5993(2) 0.2844(3) 0.0239(8) Uani 1 1 d . . . . .
H18 H 0.005076 0.622395 0.353459 0.029 Uiso 1 1 calc R U . . .
C2 C 0.2817(3) 0.3528(2) 0.1669(3) 0.0174(7) Uani 1 1 d . . . . .
C8 C 0.1966(3) 0.3752(2) 0.2345(3) 0.0197(7) Uani 1 1 d . . . . .
H8 H 0.135049 0.335648 0.234505 0.024 Uiso 1 1 calc R U . . .
C31 C 0.2726(3) 0.5004(2) 0.5528(3) 0.0200(7) Uani 1 1 d . . . . .
H31 H 0.218327 0.457958 0.524155 0.024 Uiso 1 1 calc R U . . .
C34 C 0.4392(3) 0.6149(2) 0.6415(3) 0.0207(7) Uani 1 1 d . . . . .
H34 H 0.499695 0.651525 0.672635 0.025 Uiso 1 1 calc R U . . .
C26 C 0.6350(3) 0.7301(2) 0.3822(3) 0.0207(7) Uani 1 1 d . . . . .
C16 C -0.1443(4) 0.6153(3) 0.1127(4) 0.0337(10) Uani 1 1 d . . . . .
H16 H -0.195828 0.648775 0.063860 0.040 Uiso 1 1 calc R U . . .
C24 C 0.7487(3) 0.8346(3) 0.4949(4) 0.0300(9) Uani 1 1 d . . . . .
H24 H 0.810867 0.874096 0.505893 0.036 Uiso 1 1 calc R U . . .
C25 C 0.7241(3) 0.7920(3) 0.3980(3) 0.0281(9) Uani 1 1 d . . . . .
H25 H 0.767081 0.804109 0.340589 0.034 Uiso 1 1 calc R U . . .
C10 C 0.0868(3) 0.4656(2) 0.3384(3) 0.0225(8) Uani 1 1 d . . . . .
H10 H 0.108457 0.504647 0.402278 0.027 Uiso 1 1 calc R U . . .
C22 C 0.5967(3) 0.7592(2) 0.5650(3) 0.0273(9) Uani 1 1 d . . . . .
H22 H 0.552711 0.750103 0.622493 0.033 Uiso 1 1 calc R U . . .
C14 C -0.0373(4) 0.4857(3) 0.1535(3) 0.0296(9) Uani 1 1 d . . . . .
H14 H -0.015965 0.429557 0.132157 0.035 Uiso 1 1 calc R U . . .
C23 C 0.6823(4) 0.8198(3) 0.5779(3) 0.0306(9) Uani 1 1 d . . . . .
H23 H 0.696549 0.851999 0.643673 0.037 Uiso 1 1 calc R U . . .
C17 C -0.1016(3) 0.6484(3) 0.2132(4) 0.0299(9) Uani 1 1 d . . . . .
H17 H -0.124182 0.704402 0.234091 0.036 Uiso 1 1 calc R U . . .
C11 C 0.0265(3) 0.3877(3) 0.3796(3) 0.0311(9) Uani 1 1 d . . . . .
H11A H -0.004522 0.351127 0.317958 0.047 Uiso 1 1 calc R U . . .
H11B H -0.035916 0.407799 0.417665 0.047 Uiso 1 1 calc R U . . .
H11C H 0.080985 0.354137 0.429896 0.047 Uiso 1 1 calc R U . . .
C15 C -0.1127(4) 0.5342(3) 0.0828(3) 0.0331(10) Uani 1 1 d . . . . .
H15 H -0.142626 0.511432 0.013496 0.040 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 O12 2.098(3) . ?
Pt1 N9 2.023(3) . ?
Pt1 N19 2.006(3) . ?
Pt1 C30 1.985(3) . ?
O12 C7 1.301(4) . ?
N9 C8 1.293(5) . ?
N9 C10 1.488(4) . ?
N19 C20 1.354(4) . ?
N19 C28 1.369(4) . ?
C30 C29 1.422(5) . ?
C30 C31 1.390(5) . ?
C29 C20 1.465(5) . ?
C29 C34 1.403(5) . ?
C7 C6 1.417(5) . ?
C7 C2 1.426(5) . ?
C20 C21 1.444(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.391(5) . ?
C5 C6 1.367(5) . ?
C28 H28 0.9500 . ?
C28 C27 1.355(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(5) . ?
C3 C2 1.410(5) . ?
C4 H4 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.377(5) . ?
C32 C31 1.388(5) . ?
C27 H27 0.9500 . ?
C27 C26 1.417(5) . ?
C6 H6 0.9500 . ?
C21 C26 1.423(5) . ?
C21 C22 1.418(5) . ?
C13 C18 1.386(5) . ?
C13 C10 1.517(5) . ?
C13 C14 1.388(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.384(5) . ?
C18 H18 0.9500 . ?
C18 C17 1.397(5) . ?
C2 C8 1.441(5) . ?
C8 H8 0.9500 . ?
C31 H31 0.9500 . ?
C34 H34 0.9500 . ?
C26 C25 1.415(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.377(6) . ?
C16 C15 1.371(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.365(5) . ?
C24 C23 1.400(6) . ?
C25 H25 0.9500 . ?
C10 H10 1.0000 . ?
C10 C11 1.522(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.370(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.380(6) . ?
C23 H23 0.9500 . ?
C17 H17 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C15 H15 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
N9 Pt1 O12 87.14(11) . . ?
N19 Pt1 O12 93.12(11) . . ?
N19 Pt1 N9 177.66(11) . . ?
C30 Pt1 O12 168.99(12) . . ?
C30 Pt1 N9 99.94(13) . . ?
C30 Pt1 N19 80.16(13) . . ?
C7 O12 Pt1 119.0(2) . . ?
C8 N9 Pt1 121.3(3) . . ?
C8 N9 C10 119.0(3) . . ?
C10 N9 Pt1 119.5(2) . . ?
C20 N19 Pt1 118.1(2) . . ?
C20 N19 C28 121.7(3) . . ?
C28 N19 Pt1 120.1(2) . . ?
C29 C30 Pt1 114.7(3) . . ?
C31 C30 Pt1 127.5(3) . . ?
C31 C30 C29 117.1(3) . . ?
C30 C29 C20 114.6(3) . . ?
C34 C29 C30 120.1(3) . . ?
C34 C29 C20 125.0(3) . . ?
O12 C7 C6 119.9(3) . . ?
O12 C7 C2 123.6(3) . . ?
C6 C7 C2 116.5(3) . . ?
N19 C20 C29 112.1(3) . . ?
N19 C20 C21 118.9(3) . . ?
C21 C20 C29 128.9(3) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C6 C5 C4 121.5(4) . . ?
N19 C28 H28 119.0 . . ?
C27 C28 N19 122.1(3) . . ?
C27 C28 H28 119.0 . . ?
C4 C3 H3 119.1 . . ?
C4 C3 C2 121.8(3) . . ?
C2 C3 H3 119.1 . . ?
C5 C4 H4 120.8 . . ?
C3 C4 C5 118.4(3) . . ?
C3 C4 H4 120.8 . . ?
C33 C32 H32 120.1 . . ?
C33 C32 C31 119.8(3) . . ?
C31 C32 H32 120.1 . . ?
C28 C27 H27 120.3 . . ?
C28 C27 C26 119.4(4) . . ?
C26 C27 H27 120.3 . . ?
C7 C6 H6 119.0 . . ?
C5 C6 C7 121.9(3) . . ?
C5 C6 H6 119.0 . . ?
C26 C21 C20 118.4(3) . . ?
C22 C21 C20 124.9(3) . . ?
C22 C21 C26 116.6(3) . . ?
C18 C13 C10 118.1(3) . . ?
C18 C13 C14 118.1(3) . . ?
C14 C13 C10 123.8(4) . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C13 C18 H18 119.6 . . ?
C13 C18 C17 120.7(4) . . ?
C17 C18 H18 119.6 . . ?
C7 C2 C8 121.9(3) . . ?
C3 C2 C7 119.8(3) . . ?
C3 C2 C8 117.8(3) . . ?
N9 C8 C2 127.4(3) . . ?
N9 C8 H8 116.3 . . ?
C2 C8 H8 116.3 . . ?
C30 C31 H31 118.8 . . ?
C32 C31 C30 122.4(3) . . ?
C32 C31 H31 118.8 . . ?
C29 C34 H34 119.8 . . ?
C33 C34 C29 120.4(3) . . ?
C33 C34 H34 119.8 . . ?
C27 C26 C21 119.1(3) . . ?
C25 C26 C27 120.6(3) . . ?
C25 C26 C21 120.3(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(4) . . ?
C25 C24 H24 120.1 . . ?
C25 C24 C23 119.8(4) . . ?
C23 C24 H24 120.1 . . ?
C26 C25 H25 119.7 . . ?
C24 C25 C26 120.7(4) . . ?
C24 C25 H25 119.7 . . ?
N9 C10 C13 110.7(3) . . ?
N9 C10 H10 106.7 . . ?
N9 C10 C11 113.7(3) . . ?
C13 C10 H10 106.7 . . ?
C13 C10 C11 111.7(3) . . ?
C11 C10 H10 106.7 . . ?
C21 C22 H22 119.1 . . ?
C23 C22 C21 121.9(4) . . ?
C23 C22 H22 119.1 . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.4(4) . . ?
C15 C14 H14 119.3 . . ?
C24 C23 H23 119.8 . . ?
C22 C23 C24 120.5(4) . . ?
C22 C23 H23 119.8 . . ?
C18 C17 H17 120.2 . . ?
C16 C17 C18 119.6(4) . . ?
C16 C17 H17 120.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C16 C15 C14 119.9(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?

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 O12 C7 C6 -149.3(3) . . . . ?
Pt1 O12 C7 C2 32.4(4) . . . . ?
Pt1 N9 C8 C2 -9.8(5) . . . . ?
Pt1 N9 C10 C13 91.2(3) . . . . ?
Pt1 N9 C10 C11 -142.0(3) . . . . ?
Pt1 N19 C20 C29 5.9(4) . . . . ?
Pt1 N19 C20 C21 -174.2(2) . . . . ?
Pt1 N19 C28 C27 179.3(3) . . . . ?
Pt1 C30 C29 C20 2.8(4) . . . . ?
Pt1 C30 C29 C34 -170.9(3) . . . . ?
Pt1 C30 C31 C32 173.8(3) . . . . ?
O12 C7 C6 C5 -179.7(3) . . . . ?
O12 C7 C2 C3 177.7(3) . . . . ?
O12 C7 C2 C8 6.5(5) . . . . ?
N19 C20 C21 C26 -6.4(5) . . . . ?
N19 C20 C21 C22 171.4(3) . . . . ?
N19 C28 C27 C26 -3.6(6) . . . . ?
C30 C29 C20 N19 -5.6(4) . . . . ?
C30 C29 C20 C21 174.6(3) . . . . ?
C30 C29 C34 C33 -4.3(5) . . . . ?
C29 C30 C31 C32 3.6(5) . . . . ?
C29 C20 C21 C26 173.4(3) . . . . ?
C29 C20 C21 C22 -8.8(6) . . . . ?
C7 C2 C8 N9 -20.6(5) . . . . ?
C20 N19 C28 C27 1.7(5) . . . . ?
C20 C29 C34 C33 -177.3(3) . . . . ?
C20 C21 C26 C27 4.5(5) . . . . ?
C20 C21 C26 C25 -176.9(3) . . . . ?
C20 C21 C22 C23 177.9(4) . . . . ?
C28 N19 C20 C29 -176.5(3) . . . . ?
C28 N19 C20 C21 3.4(5) . . . . ?
C28 C27 C26 C21 0.4(5) . . . . ?
C28 C27 C26 C25 -178.2(4) . . . . ?
C3 C2 C8 N9 168.0(3) . . . . ?
C4 C5 C6 C7 2.2(6) . . . . ?
C4 C3 C2 C7 1.7(5) . . . . ?
C4 C3 C2 C8 173.3(3) . . . . ?
C32 C33 C34 C29 3.9(6) . . . . ?
C27 C26 C25 C24 176.9(4) . . . . ?
C6 C7 C2 C3 -0.7(5) . . . . ?
C6 C7 C2 C8 -171.9(3) . . . . ?
C6 C5 C4 C3 -1.2(6) . . . . ?
C21 C26 C25 C24 -1.7(6) . . . . ?
C21 C22 C23 C24 -0.1(6) . . . . ?
C13 C18 C17 C16 -0.6(6) . . . . ?
C13 C14 C15 C16 -0.1(7) . . . . ?
C33 C32 C31 C30 -4.1(5) . . . . ?
C18 C13 C10 N9 -120.9(4) . . . . ?
C18 C13 C10 C11 111.2(4) . . . . ?
C18 C13 C14 C15 0.1(6) . . . . ?
C2 C7 C6 C5 -1.3(5) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
C8 N9 C10 C13 -84.2(4) . . . . ?
C8 N9 C10 C11 42.6(4) . . . . ?
C31 C30 C29 C20 174.3(3) . . . . ?
C31 C30 C29 C34 0.6(5) . . . . ?
C31 C32 C33 C34 0.3(6) . . . . ?
C34 C29 C20 N19 167.8(3) . . . . ?
C34 C29 C20 C21 -12.1(5) . . . . ?
C26 C21 C22 C23 -4.3(6) . . . . ?
C25 C24 C23 C22 3.8(6) . . . . ?
C10 N9 C8 C2 165.6(3) . . . . ?
C10 C13 C18 C17 -177.0(3) . . . . ?
C10 C13 C14 C15 177.2(4) . . . . ?
C22 C21 C26 C27 -173.5(3) . . . . ?
C22 C21 C26 C25 5.2(5) . . . . ?
C14 C13 C18 C17 0.2(6) . . . . ?
C14 C13 C10 N9 62.0(5) . . . . ?
C14 C13 C10 C11 -65.8(5) . . . . ?
C23 C24 C25 C26 -2.9(6) . . . . ?
C17 C16 C15 C14 -0.3(7) . . . . ?
C15 C16 C17 C18 0.6(6) . . . . ?

_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 1.959
_oxdiff_exptl_absorpt_empirical_full_min 0.741
