# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_sad
_database_code_depnum_ccdc_archive 'CCDC 2051570'
loop_
_audit_author_name
_audit_author_address
'Baoning Li'
;SYSU
China
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_audit_creation_date             2018-11-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C18 H15 Cl N2 Pt'
_chemical_formula_sum            'C18 H15 Cl N2 Pt'
_chemical_formula_weight         489.86
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.36842 0.69938 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pt -4.33233 7.24589 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.6883001328
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_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_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   8.10830(10)
_cell_length_b                   10.3970(2)
_cell_length_c                   18.1164(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.212(2)
_cell_angle_gamma                90
_cell_volume                     1492.69(4)
_cell_measurement_temperature    150.00(10)
_cell_measurement_reflns_used    3269
_cell_measurement_theta_min      4.9070
_cell_measurement_theta_max      74.1280
_cell_formula_units_Z            4
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_absorpt_coefficient_mu    19.189
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.1796
_exptl_crystal_F_000             914.0876
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4817
_diffrn_reflns_theta_full        74.2862
_diffrn_reflns_theta_max         74.29
_diffrn_reflns_theta_min         4.93
_diffrn_measured_fraction_theta_full 0.9558
_diffrn_measured_fraction_theta_max 0.9558
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_standards_number         0
_diffrn_ambient_temperature      150.00(10)
_diffrn_ambient_environment      N~2~
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -10
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                2670
_reflns_number_total             2899
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.2461
_refine_diff_density_min         -3.3379
_refine_diff_density_rms         0.2688
_refine_ls_d_res_high            0.8008
_refine_ls_d_res_low             8.9656
_refine_ls_goodness_of_fit_ref   0.9975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    26
_refine_ls_number_parameters     201
_refine_ls_number_reflns         2899
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0389
_refine_ls_restrained_S_all      0.9975
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0748P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1106
_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:
 C9(H9), C18(H18), C17(H17), C16(H16), C15(H15), C1(H1), C4(H4), C3(H3), C2(H2)
2.b Idealised Me refined as rotating group:
 C8(H8a,H8b,H8c), C10(H10a,H10b,H10c)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
Pt1 Pt 0.24391(3) 0.64726(2) 0.441005(13) 0.01571(13) Uani 1.000000 .
Cl1 Cl 0.2246(2) 0.83774(14) 0.36095(9) 0.0285(4) Uani 1.000000 .
N1 N 0.3299(6) 0.5225(5) 0.3731(3) 0.0205(10) Uani 1.000000 .
N2 N 0.1649(6) 0.7242(5) 0.5292(3) 0.0156(9) Uani 1.000000 .
C1 C 0.3641(8) 0.5519(7) 0.3056(3) 0.0229(13) Uani 1.000000 .
H1 H 0.3457(8) 0.6358(7) 0.2879(3) 0.0275(15) Uiso 1.000000 R
C2 C 0.4255(9) 0.4629(8) 0.2613(4) 0.0328(16) Uani 1.000000 .
H2 H 0.4505(9) 0.4861(8) 0.2153(4) 0.0394(19) Uiso 1.000000 R
C3 C 0.4481(9) 0.3380(7) 0.2880(5) 0.0346(18) Uani 1.000000 .
H3 H 0.4878(9) 0.2756(7) 0.2594(5) 0.042(2) Uiso 1.000000 R
C4 C 0.4122(8) 0.3054(7) 0.3570(4) 0.0286(14) Uani 1.000000 .
H4 H 0.4285(8) 0.2211(7) 0.3743(4) 0.0344(17) Uiso 1.000000 R
C5 C 0.3522(7) 0.3968(6) 0.4007(4) 0.0199(12) Uani 1.000000 .
C6 C 0.3062(7) 0.3815(6) 0.4737(3) 0.0152(11) Uani 1.000000 .
C7 C 0.3134(7) 0.2697(6) 0.5188(4) 0.0230(13) Uani 1.000000 .
C8 C 0.3720(9) 0.1392(6) 0.4986(5) 0.0304(17) Uani 1.000000 .
H8a H 0.299(4) 0.109(2) 0.4531(18) 0.046(3) Uiso 1.000000 GR
H8b H 0.485(3) 0.1456(12) 0.491(3) 0.046(3) Uiso 1.000000 GR
H8c H 0.369(7) 0.0799(14) 0.5389(14) 0.046(3) Uiso 1.000000 GR
C9 C 0.2616(7) 0.2806(6) 0.5866(4) 0.0240(13) Uani 1.000000 .
H9 H 0.2643(7) 0.2070(6) 0.6159(4) 0.0288(16) Uiso 1.000000 R
C10 C 0.1510(9) 0.3901(7) 0.6898(4) 0.0289(15) Uani 1.000000 .
H10a H 0.152(6) 0.3024(9) 0.7065(15) 0.043(2) Uiso 1.000000 GR
H10b H 0.228(4) 0.440(4) 0.7264(8) 0.043(2) Uiso 1.000000 GR
H10c H 0.039(3) 0.425(5) 0.6840(8) 0.043(2) Uiso 1.000000 GR
C11 C 0.2053(7) 0.3953(6) 0.6142(4) 0.0221(13) Uani 1.000000 .
C12 C 0.2013(7) 0.5074(6) 0.5711(3) 0.0157(11) Uani 1.000000 .
C13 C 0.2548(7) 0.4958(5) 0.5023(3) 0.0156(11) Uani 1.000000 .
C14 C 0.1530(8) 0.6379(5) 0.5873(4) 0.0165(12) Uani 1.000000 .
C15 C 0.1036(8) 0.6849(7) 0.6502(4) 0.0251(13) Uani 1.000000 .
H15 H 0.0977(8) 0.6289(7) 0.6896(4) 0.0301(16) Uiso 1.000000 R
C16 C 0.0627(9) 0.8122(7) 0.6566(4) 0.0311(15) Uani 1.000000 .
H16 H 0.0254(9) 0.8412(7) 0.6988(4) 0.0374(18) Uiso 1.000000 R
C17 C 0.0778(8) 0.8974(7) 0.5988(4) 0.0292(15) Uani 1.000000 .
H17 H 0.0531(8) 0.9843(7) 0.6021(4) 0.0350(18) Uiso 1.000000 R
C18 C 0.1299(9) 0.8496(6) 0.5375(5) 0.0263(15) Uani 1.000000 .
H18 H 0.1419(9) 0.9064(6) 0.4994(5) 0.0316(18) Uiso 1.000000 R


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 2.4401(15) . ?
Pt1 N1 2.012(5) . ?
Pt1 N2 2.009(5) . ?
Pt1 C13 1.918(6) . ?
N1 C1 1.345(8) . ?
N1 C5 1.398(8) . ?
N2 C14 1.402(7) . ?
N2 C18 1.349(7) . ?
C1 H1 0.9300 . ?
C1 C2 1.385(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.390(8) . ?
C5 C6 1.456(9) . ?
C6 C7 1.416(9) . ?
C6 C13 1.394(8) . ?
C7 C8 1.508(8) . ?
C7 C9 1.383(9) . ?
C8 H8a 0.9600 . ?
C8 H8b 0.9600 . ?
C8 H8c 0.9600 . ?
C9 H9 0.9300 . ?
C9 C11 1.406(9) . ?
C10 H10a 0.9600 . ?
C10 H10b 0.9600 . ?
C10 H10c 0.9600 . ?
C10 C11 1.526(9) . ?
C11 C12 1.399(8) . ?
C12 C13 1.410(8) . ?
C12 C14 1.460(8) . ?
C14 C15 1.374(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.396(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.363(10) . ?
C18 H18 0.9300 . ?

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 98.44(16) . . ?
N2 Pt1 Cl1 99.12(14) . . ?
N2 Pt1 N1 162.4(2) . . ?
C13 Pt1 Cl1 178.67(16) . . ?
C13 Pt1 N1 81.1(2) . . ?
C13 Pt1 N2 81.4(2) . . ?
C1 N1 Pt1 125.0(5) . . ?
C5 N1 Pt1 114.8(4) . . ?
C5 N1 C1 120.2(5) . . ?
C14 N2 Pt1 115.3(4) . . ?
C18 N2 Pt1 125.7(5) . . ?
C18 N2 C14 118.9(5) . . ?
H1 C1 N1 118.5(4) . . ?
C2 C1 N1 122.9(7) . . ?
C2 C1 H1 118.5(4) . . ?
H2 C2 C1 121.3(4) . . ?
C3 C2 C1 117.4(7) . . ?
C3 C2 H2 121.3(4) . . ?
H3 C3 C2 119.7(4) . . ?
C4 C3 C2 120.6(6) . . ?
C4 C3 H3 119.7(4) . . ?
H4 C4 C3 119.6(4) . . ?
C5 C4 C3 120.9(7) . . ?
C5 C4 H4 119.6(4) . . ?
C4 C5 N1 118.0(6) . . ?
C6 C5 N1 112.9(5) . . ?
C6 C5 C4 129.1(7) . . ?
C7 C6 C5 128.8(6) . . ?
C13 C6 C5 113.5(6) . . ?
C13 C6 C7 117.6(6) . . ?
C8 C7 C6 125.1(6) . . ?
C9 C7 C6 117.5(6) . . ?
C9 C7 C8 117.4(6) . . ?
H8a C8 C7 109.5 . . ?
H8b C8 C7 109.5 . . ?
H8b C8 H8a 109.5 . . ?
H8c C8 C7 109.5 . . ?
H8c C8 H8a 109.5 . . ?
H8c C8 H8b 109.5 . . ?
H9 C9 C7 117.7(4) . . ?
C11 C9 C7 124.6(6) . . ?
C11 C9 H9 117.7(4) . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
C11 C10 H10a 109.5 . . ?
C11 C10 H10b 109.5 . . ?
C11 C10 H10c 109.5 . . ?
C10 C11 C9 117.8(6) . . ?
C12 C11 C9 118.6(6) . . ?
C12 C11 C10 123.6(6) . . ?
C13 C12 C11 116.5(6) . . ?
C14 C12 C11 129.6(6) . . ?
C14 C12 C13 113.8(5) . . ?
C6 C13 Pt1 117.7(5) . . ?
C12 C13 Pt1 117.1(4) . . ?
C12 C13 C6 125.0(6) . . ?
C12 C14 N2 112.3(5) . . ?
C15 C14 N2 118.3(5) . . ?
C15 C14 C12 129.4(6) . . ?
H15 C15 C14 119.0(4) . . ?
C16 C15 C14 121.9(6) . . ?
C16 C15 H15 119.0(4) . . ?
H16 C16 C15 120.4(4) . . ?
C17 C16 C15 119.1(6) . . ?
C17 C16 H16 120.4(4) . . ?
H17 C17 C16 120.9(4) . . ?
C18 C17 C16 118.1(6) . . ?
C18 C17 H17 120.9(4) . . ?
C17 C18 N2 123.5(7) . . ?
H18 C18 N2 118.2(4) . . ?
H18 C18 C17 118.2(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_lbn
_database_code_depnum_ccdc_archive 'CCDC 2051573'
loop_
_audit_author_name
_audit_author_address
'Baoning Li'
;SYSU
China
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H29 N3 Pt'
_chemical_formula_weight         722.73

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1490(7)
_cell_length_b                   10.3561(8)
_cell_length_c                   16.9236(11)
_cell_angle_alpha                73.883(6)
_cell_angle_beta                 86.213(6)
_cell_angle_gamma                65.045(7)
_cell_volume                     1394.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3110
_cell_measurement_theta_min      5.4640
_cell_measurement_theta_max      72.9620

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_F_000             712
_exptl_transmission_factor_min   4.9
_exptl_transmission_factor_max   66.9
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    9.662
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_measurement_device_type  ' Bruker APEX_II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8417
_diffrn_reflns_av_unetI/netI     0.0802
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         4.901
_diffrn_reflns_theta_max         72.971
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             5330
_reflns_number_gt                4423
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0828P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5330
_refine_ls_number_parameters     379
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1497
_refine_ls_wR_factor_gt          0.1406
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.142
_refine_ls_shift/su_mean         0.004

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 0.88745(4) 0.75639(4) 0.42621(2) 0.02030(14) Uani 1 1 d . . . . .
N1 N 0.8092(9) 0.6374(8) 0.5194(5) 0.0250(16) Uani 1 1 d . . . . .
N2 N 1.0165(9) 0.8647(8) 0.3645(5) 0.0222(15) Uani 1 1 d . . . . .
N3 N 0.3236(10) 0.7491(10) 0.0161(5) 0.0292(18) Uani 1 1 d . . . . .
C1 C 0.7056(11) 0.5791(10) 0.5105(6) 0.0248(18) Uani 1 1 d . . . . .
H1A H 0.6643 0.5969 0.4579 0.030 Uiso 1 1 calc R U . . .
C2 C 0.6591(12) 0.4945(11) 0.5762(7) 0.032(2) Uani 1 1 d . . . . .
H2A H 0.5846 0.4595 0.5679 0.038 Uiso 1 1 calc R U . . .
C3 C 0.7234(12) 0.4621(11) 0.6541(7) 0.032(2) Uani 1 1 d . . . . .
H3A H 0.6946 0.4055 0.6999 0.038 Uiso 1 1 calc R U . . .
C4 C 0.8180(14) 0.5107(13) 0.6594(7) 0.054(4) Uani 1 1 d . . . . .
H4A H 0.8632 0.4836 0.7124 0.065 Uiso 1 1 calc DR U . . .
C5 C 0.8763(10) 0.6065(9) 0.5968(6) 0.0222(18) Uani 1 1 d . . . . .
C6 C 0.9916(11) 0.6748(10) 0.5958(5) 0.0233(18) Uani 1 1 d . . . . .
C7 C 1.0767(11) 0.6710(10) 0.6644(6) 0.0246(19) Uani 1 1 d . . . . .
C8 C 1.0693(14) 0.6156(14) 0.7584(7) 0.051(3) Uani 1 1 d . . . . .
H8A H 0.9934 0.5720 0.7700 0.077 Uiso 1 1 calc DR U . . .
H8B H 1.1742 0.5428 0.7820 0.077 Uiso 1 1 calc R U . . .
H8C H 1.0358 0.6974 0.7819 0.077 Uiso 1 1 calc R U . . .
C9 C 1.1862(11) 0.7350(10) 0.6456(5) 0.0240(19) Uani 1 1 d . . . . .
H9A H 1.2446 0.7319 0.6895 0.029 Uiso 1 1 calc R U . . .
C10 C 1.2160(11) 0.8037(10) 0.5660(6) 0.0232(18) Uani 1 1 d . . . . .
C11 C 1.3428(12) 0.8633(11) 0.5585(6) 0.028(2) Uani 1 1 d . . . . .
H11A H 1.3879 0.8444 0.6123 0.042 Uiso 1 1 calc R U . . .
H11B H 1.4267 0.8152 0.5256 0.042 Uiso 1 1 calc R U . . .
H11C H 1.2943 0.9681 0.5327 0.042 Uiso 1 1 calc R U . . .
C12 C 1.1253(11) 0.8110(10) 0.5009(6) 0.0233(18) Uani 1 1 d . . . . .
C13 C 1.0137(11) 0.7436(9) 0.5192(5) 0.0215(17) Uani 1 1 d . . . . .
C14 C 1.1233(11) 0.8787(9) 0.4113(5) 0.0215(17) Uani 1 1 d . . . . .
C15 C 1.2217(12) 0.9483(11) 0.3727(6) 0.030(2) Uani 1 1 d . . . . .
H15A H 1.2935 0.9585 0.4044 0.036 Uiso 1 1 calc R U . . .
C16 C 1.2124(13) 1.0019(11) 0.2876(6) 0.030(2) Uani 1 1 d . . . . .
H16A H 1.2783 1.0474 0.2622 0.036 Uiso 1 1 calc R U . . .
C17 C 1.1053(13) 0.9877(11) 0.2405(6) 0.032(2) Uani 1 1 d . . . . .
H17A H 1.0975 1.0237 0.1834 0.038 Uiso 1 1 calc R U . . .
C18 C 1.0091(11) 0.9179(11) 0.2810(6) 0.0265(19) Uani 1 1 d . . . . .
H18A H 0.9371 0.9073 0.2498 0.032 Uiso 1 1 calc R U . . .
C19 C 0.7475(11) 0.7724(10) 0.3301(5) 0.0234(18) Uani 1 1 d . . . . .
C20 C 0.6634(11) 0.7766(11) 0.2757(6) 0.0244(18) Uani 1 1 d . . . . .
C21 C 0.5715(11) 0.7735(11) 0.2110(5) 0.0235(18) Uani 1 1 d . . . . .
C22 C 0.5516(11) 0.6466(11) 0.2145(6) 0.0270(19) Uani 1 1 d . . . . .
H22A H 0.5926 0.5660 0.2609 0.032 Uiso 1 1 calc R U . . .
C23 C 0.4730(12) 0.6356(11) 0.1513(6) 0.0258(19) Uani 1 1 d . . . . .
H23A H 0.4653 0.5477 0.1544 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4057(10) 0.7572(11) 0.0831(5) 0.0225(18) Uani 1 1 d . . . . .
C25 C 0.4173(11) 0.8880(10) 0.0796(5) 0.0236(18) Uani 1 1 d . . . . .
H25A H 0.3676 0.9712 0.0354 0.028 Uiso 1 1 calc R U . . .
C26 C 0.5021(11) 0.8953(10) 0.1413(5) 0.0229(18) Uani 1 1 d . . . . .
H26A H 0.5137 0.9820 0.1369 0.028 Uiso 1 1 calc R U . . .
C27 C 0.1742(11) 0.7410(10) 0.0263(6) 0.0243(18) Uani 1 1 d . . . . .
C28 C 0.0851(11) 0.7716(10) 0.0941(6) 0.0257(19) Uani 1 1 d . . . . .
H28A H 0.1247 0.8008 0.1320 0.031 Uiso 1 1 calc R U . . .
C29 C -0.0604(12) 0.7600(12) 0.1070(6) 0.032(2) Uani 1 1 d . . . . .
H29A H -0.1160 0.7797 0.1534 0.039 Uiso 1 1 calc R U . . .
C30 C -0.1234(11) 0.7188(12) 0.0501(7) 0.033(2) Uani 1 1 d . . . . .
H30A H -0.2222 0.7128 0.0575 0.040 Uiso 1 1 calc R U . . .
C31 C -0.0367(12) 0.6873(12) -0.0168(6) 0.031(2) Uani 1 1 d . . . . .
H31A H -0.0776 0.6591 -0.0547 0.037 Uiso 1 1 calc R U . . .
C32 C 0.1103(12) 0.6966(11) -0.0292(6) 0.028(2) Uani 1 1 d . . . . .
H32A H 0.1671 0.6732 -0.0747 0.034 Uiso 1 1 calc R U . . .
C33 C 0.4029(11) 0.7481(10) -0.0592(5) 0.0212(17) Uani 1 1 d . . . . .
C34 C 0.3204(12) 0.8411(12) -0.1326(6) 0.030(2) Uani 1 1 d . . . . .
H34A H 0.2116 0.9039 -0.1332 0.036 Uiso 1 1 calc R U . . .
C35 C 0.3994(13) 0.8419(11) -0.2069(6) 0.0270(19) Uani 1 1 d . . . . .
H35A H 0.3436 0.9075 -0.2561 0.032 Uiso 1 1 calc R U . . .
C36 C 0.5598(13) 0.7457(12) -0.2070(6) 0.030(2) Uani 1 1 d . . . . .
H36A H 0.6107 0.7420 -0.2563 0.036 Uiso 1 1 calc R U . . .
C37 C 0.6443(12) 0.6538(10) -0.1318(6) 0.0271(19) Uani 1 1 d . . . . .
H37A H 0.7537 0.5923 -0.1306 0.033 Uiso 1 1 calc R U . . .
C38 C 0.5640(12) 0.6546(11) -0.0582(6) 0.029(2) Uani 1 1 d . . . . .
H38A H 0.6198 0.5917 -0.0085 0.034 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 C13 1.955(9) . ?
Pt1 N1 2.009(8) . ?
Pt1 N2 2.012(8) . ?
Pt1 C19 2.065(9) . ?
N1 C1 1.356(12) . ?
N1 C5 1.379(12) . ?
N2 C18 1.360(12) . ?
N2 C14 1.374(12) . ?
N3 C27 1.401(12) . ?
N3 C33 1.425(11) . ?
N3 C24 1.440(11) . ?
C1 C2 1.377(14) . ?
C1 H1A 0.9300 . ?
C2 C3 1.373(15) . ?
C2 H2A 0.9300 . ?
C3 C4 1.189(15) . ?
C3 H3A 0.9300 . ?
C4 C5 1.477(15) . ?
C4 H4A 0.9300 . ?
C5 C6 1.494(13) . ?
C6 C13 1.342(13) . ?
C6 C7 1.423(12) . ?
C7 C9 1.395(14) . ?
C7 C8 1.542(14) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.407(13) . ?
C9 H9A 0.9300 . ?
C10 C12 1.388(13) . ?
C10 C11 1.511(12) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.437(13) . ?
C12 C14 1.482(13) . ?
C14 C15 1.401(13) . ?
C15 C16 1.387(14) . ?
C15 H15A 0.9300 . ?
C16 C17 1.380(15) . ?
C16 H16A 0.9300 . ?
C17 C18 1.397(14) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.218(14) . ?
C20 C21 1.438(13) . ?
C21 C22 1.386(13) . ?
C21 C26 1.408(13) . ?
C22 C23 1.382(13) . ?
C22 H22A 0.9300 . ?
C23 C24 1.389(13) . ?
C23 H23A 0.9300 . ?
C24 C25 1.388(13) . ?
C25 C26 1.378(13) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.394(14) . ?
C27 C32 1.405(13) . ?
C28 C29 1.383(14) . ?
C28 H28A 0.9300 . ?
C29 C30 1.397(14) . ?
C29 H29A 0.9300 . ?
C30 C31 1.374(15) . ?
C30 H30A 0.9300 . ?
C31 C32 1.387(14) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.373(13) . ?
C33 C38 1.379(13) . ?
C34 C35 1.410(13) . ?
C34 H34A 0.9300 . ?
C35 C36 1.383(15) . ?
C35 H35A 0.9300 . ?
C36 C37 1.400(15) . ?
C36 H36A 0.9300 . ?
C37 C38 1.405(14) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?

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
C13 Pt1 N1 79.6(3) . . ?
C13 Pt1 N2 80.9(3) . . ?
N1 Pt1 N2 160.4(3) . . ?
C13 Pt1 C19 178.1(4) . . ?
N1 Pt1 C19 99.2(3) . . ?
N2 Pt1 C19 100.3(3) . . ?
C1 N1 C5 119.1(8) . . ?
C1 N1 Pt1 124.8(6) . . ?
C5 N1 Pt1 115.9(6) . . ?
C18 N2 C14 119.2(8) . . ?
C18 N2 Pt1 124.5(6) . . ?
C14 N2 Pt1 116.2(6) . . ?
C27 N3 C33 122.6(7) . . ?
C27 N3 C24 120.7(8) . . ?
C33 N3 C24 116.6(7) . . ?
N1 C1 C2 122.7(9) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 119.6(9) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C2 C3 C4 116.0(10) . . ?
C2 C3 H3A 122.0 . . ?
C4 C3 H3A 122.0 . . ?
C5 C4 C3 131.4(11) . . ?
C5 C4 H4A 114.3 . . ?
C3 C4 H4A 114.3 . . ?
N1 C5 C4 111.1(8) . . ?
N1 C5 C6 112.5(8) . . ?
C4 C5 C6 136.4(9) . . ?
C13 C6 C7 119.9(9) . . ?
C13 C6 C5 112.5(8) . . ?
C7 C6 C5 127.5(9) . . ?
C9 C7 C6 115.8(8) . . ?
C9 C7 C8 110.8(8) . . ?
C6 C7 C8 133.3(9) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.4 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 C10 125.7(8) . . ?
C7 C9 H9A 117.1 . . ?
C10 C9 H9A 117.1 . . ?
C12 C10 C9 116.7(8) . . ?
C12 C10 C11 125.7(9) . . ?
C9 C10 C11 117.6(8) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 C13 118.2(8) . . ?
C10 C12 C14 130.3(9) . . ?
C13 C12 C14 111.5(8) . . ?
C6 C13 C12 123.6(8) . . ?
C6 C13 Pt1 119.3(7) . . ?
C12 C13 Pt1 117.1(6) . . ?
N2 C14 C15 119.8(8) . . ?
N2 C14 C12 114.2(8) . . ?
C15 C14 C12 125.9(8) . . ?
C14 C15 C16 120.2(9) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C17 C16 C15 120.1(9) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 118.2(9) . . ?
C16 C17 H17A 120.9 . . ?
C18 C17 H17A 120.9 . . ?
N2 C18 C17 122.6(9) . . ?
N2 C18 H18A 118.7 . . ?
C17 C18 H18A 118.7 . . ?
C20 C19 Pt1 177.0(8) . . ?
C19 C20 C21 176.6(11) . . ?
C22 C21 C26 117.2(8) . . ?
C22 C21 C20 120.4(9) . . ?
C26 C21 C20 122.4(8) . . ?
C23 C22 C21 122.3(9) . . ?
C23 C22 H22A 118.9 . . ?
C21 C22 H22A 118.9 . . ?
C22 C23 C24 119.4(9) . . ?
C22 C23 H23A 120.3 . . ?
C24 C23 H23A 120.3 . . ?
C23 C24 C25 119.6(8) . . ?
C23 C24 N3 120.7(8) . . ?
C25 C24 N3 119.7(8) . . ?
C26 C25 C24 120.3(8) . . ?
C26 C25 H25A 119.8 . . ?
C24 C25 H25A 119.8 . . ?
C25 C26 C21 121.1(8) . . ?
C25 C26 H26A 119.5 . . ?
C21 C26 H26A 119.5 . . ?
C28 C27 C32 117.1(9) . . ?
C28 C27 N3 121.0(8) . . ?
C32 C27 N3 121.9(8) . . ?
C29 C28 C27 122.2(9) . . ?
C29 C28 H28A 118.9 . . ?
C27 C28 H28A 118.9 . . ?
C28 C29 C30 119.8(9) . . ?
C28 C29 H29A 120.1 . . ?
C30 C29 H29A 120.1 . . ?
C31 C30 C29 118.8(9) . . ?
C31 C30 H30A 120.6 . . ?
C29 C30 H30A 120.6 . . ?
C30 C31 C32 121.6(9) . . ?
C30 C31 H31A 119.2 . . ?
C32 C31 H31A 119.2 . . ?
C31 C32 C27 120.5(9) . . ?
C31 C32 H32A 119.7 . . ?
C27 C32 H32A 119.7 . . ?
C34 C33 C38 119.8(9) . . ?
C34 C33 N3 120.4(8) . . ?
C38 C33 N3 119.7(8) . . ?
C33 C34 C35 120.4(9) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C36 C35 C34 120.2(9) . . ?
C36 C35 H35A 119.9 . . ?
C34 C35 H35A 119.9 . . ?
C35 C36 C37 119.0(9) . . ?
C35 C36 H36A 120.5 . . ?
C37 C36 H36A 120.5 . . ?
C36 C37 C38 120.0(9) . . ?
C36 C37 H37A 120.0 . . ?
C38 C37 H37A 120.0 . . ?
C33 C38 C37 120.4(9) . . ?
C33 C38 H38A 119.8 . . ?
C37 C38 H38A 119.8 . . ?

_refine_diff_density_max         3.693
_refine_diff_density_min         -3.417
_refine_diff_density_rms         0.252

####################################################################### 
# 
# 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_complex-1
_database_code_depnum_ccdc_archive 'CCDC 2051572'
loop_
_audit_author_name
_audit_author_address
'Baoning Li'
;SYSU
China
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_audit_creation_date             2018-12-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            complex-1
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(C104 H80 N8 Pt4)'
_chemical_formula_sum            'C52 H40 N4 Pt2'
_chemical_formula_weight         1111.06
_chemical_melting_point          ?
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'
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      orthorhombic
_space_group_IT_number           51
_space_group_name_H-M_alt        'P m m a'
_space_group_name_Hall           '-P 2a 2a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'x+1/2, -y, -z'
'-x, y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'-x-1/2, y, z'
'x, -y, z'

_cell_length_a                   9.9989(4)
_cell_length_b                   12.4030(5)
_cell_length_c                   16.2903(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2020.26(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3557
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.7290
_cell_measurement_theta_min      3.8360
_shelx_estimated_absorpt_T_max   0.818
_shelx_estimated_absorpt_T_min   0.167
_exptl_absorpt_coefficient_mu    6.960
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.863
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6360
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.175
_diffrn_reflns_theta_min         3.620
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00 -39.00   1.00   22.50    --  -12.17 -38.00-180.00   45
  2  ω      1.00  73.00   1.00   22.50    --   13.26  57.00 -60.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2017
_reflns_number_total             2837
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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    ?
_refine_diff_density_max         2.247
_refine_diff_density_min         -2.194
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.403
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         2837
_refine_ls_number_restraints     460
_refine_ls_R_factor_all          0.0941
_refine_ls_R_factor_gt           0.0722
_refine_ls_restrained_S_all      1.322
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+103.9509P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2106
_refine_ls_wR_factor_ref         0.2180
_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. Restrained distances
 C1-C2 = C2-C3 = C3-C4
 1.39 with sigma of 0.01
 C1-C3 = C2-C4
 2.4 with sigma of 0.01
 C1-C4
 2.8 with sigma of 0.01
 C1-C2A = C2A-C3A = C3A-C4
 1.39 with sigma of 0.01
 C1-C3A = C2A-C4
 2.4 with sigma of 0.01
 C17-C18 = C18-C19 = C19-C20
 1.39 with sigma of 0.01
 C17-C19 = C18-C20
 2.4 with sigma of 0.01
 C17-C20
 2.8 with sigma of 0.01
 C17-C18A = C18A-C19A = C19A-C20
 1.39 with sigma of 0.01
 C17-C19A = C18A-C20
 2.4 with sigma of 0.01
 C4-C5 = C20-C21
 1.43 with sigma of 0.01
 C5-C6 = C21-C22
 1.21 with sigma of 0.01
 C7-C8 = C8-C9 = C9-C10
 1.39 with sigma of 0.01
 C7-C9 = C8-C10
 2.4 with sigma of 0.01
 C7-C10
 2.8 with sigma of 0.01
 C9-C11
 1.5 with sigma of 0.01
 C23-C24 = C24-C25 = C25-C26
 1.39 with sigma of 0.01
 C23-C25 = C24-C26
 2.4 with sigma of 0.01
 C23-C26
 2.8 with sigma of 0.01
 C25-C27
 1.5 with sigma of 0.01
 C8-C12 = C24-C28
 1.46 with sigma of 0.01
 N1-C12 = C12-C13 = C13-C14
 1.39 with sigma of 0.01
 C14-C15 = C15-C16 = C16-N1
 1.39 with sigma of 0.01
 N1-C13 = C12-C14 = C13-C15
 2.4 with sigma of 0.01
 C14-C16 = C15-N1 = C16-C12
 2.4 with sigma of 0.01
 N1-C14 = C12-C15 = C13-C16
 2.8 with sigma of 0.01
 N2-C28 = C28-C29 = C29-C30
 1.39 with sigma of 0.01
 C30-C31 = C31-C32 = C32-N2
 1.39 with sigma of 0.01
 N2-C29 = C28-C30 = C29-C31
 2.4 with sigma of 0.01
 C30-C32 = C31-N2 = C32-C28
 2.4 with sigma of 0.01
 N2-C30 = C28-C31 = C29-C32
 2.8 with sigma of 0.01
 N1-C7 = C23-N2
 2.55 with sigma of 0.01
 C13-C9 = C25-C29
 3.22 with sigma of 0.01
 C1-H1 = C10-H10 = C17-H17 = C26-H26
 0.95 with sigma of 0.001
 C11-C8 \\sim C11-C10
 with sigma of 0.02
 C27-C24 \\sim C27-C26
 with sigma of 0.02
3. Restrained planarity
 C7, C8, C9, C10, C11
 with sigma of 0.01
 C23, C24, C25, C26, C27
 with sigma of 0.01
4. Rigid bond restraints
 N1, N2, C1, C2, C2A, C3, C3A, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14,
  C15, C16, C17, C18, C18A, C19, C19A, C20, C21, C22, C23, C24, C25, C26, C27,
 C28, C29, C30, C31, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
N1 \\sim N2 \\sim C1 \\sim C2 \\sim C2A \\sim C3 \\sim C3A \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13
\\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C18A \\sim C19 \\sim
C19A \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26
\\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(C32) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Fixed Sof: N1(0.5) N2(0.5) C2(0.25) H2(0.25) C2A(0.25) H2A(0.25) C3(0.25)
 H3(0.25) C3A(0.25) H3A(0.25) C8(0.5) C9(0.5) C11(0.5) H11A(0.5) H11B(0.5)
 H11C(0.5) C12(0.5) C13(0.5) H13(0.5) C14(0.5) H14(0.5) C15(0.5) H15(0.5)
 C16(0.5) H16(0.5) C18(0.25) H18(0.25) C18A(0.25) H18A(0.25) C19(0.25)
 H19(0.25) C19A(0.25) H19A(0.25) C24(0.5) C25(0.5) C27(0.5) H27A(0.5) H27B(0.5)
 H27C(0.5) C28(0.5) C29(0.5) H29(0.5) C30(0.5) H30(0.5) C31(0.5) H31(0.5)
 C32(0.5) H32(0.5)
7.a Riding coordinates:
 C15(H15), C16(H16), C31(H31), C32(H32)
7.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C2A(H2A), C3(H3), C3A(H3A), C13(H13), C14(H14), C18(H18), C18A(H18A),
 C19(H19), C19A(H19A), C29(H29), C30(H30)
7.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.2500 0.0000 0.18430(7) 0.0232(3) Uani 1 4 d S T P . .
Pt2 Pt 0.7500 0.5000 0.31423(7) 0.0323(3) Uani 1 4 d S T P . .
N1 N 0.604(2) 0.3925(19) 0.3349(10) 0.040(4) Uani 0.5 1 d D U . A 2
N2 N 0.1025(19) 0.1077(16) 0.1640(9) 0.034(4) Uani 0.5 1 d D U . B 2
C1 C 0.7500 0.5000 -0.1446(9) 0.054(5) Uani 1 4 d DS TU P . .
H1 H 0.7500 0.5000 -0.2029(9) 0.065 Uiso 1 4 d DRS T P . .
C2 C 0.6305(11) 0.5000 -0.1012(10) 0.052(5) Uani 0.5 2 d DS TU P C 1
H2 H 0.5480 0.5000 -0.1301 0.062 Uiso 0.5 2 calc RS T P C 1
C2A C 0.7500 0.5965(9) -0.1015(10) 0.052(5) Uani 0.5 2 d DS TU P C 2
H2A H 0.7500 0.6630 -0.1305 0.062 Uiso 0.5 2 calc RS T P C 2
C3 C 0.6304(11) 0.5000 -0.0162(10) 0.048(5) Uani 0.5 2 d DS TU P C 1
H3 H 0.5480 0.5000 0.0127 0.058 Uiso 0.5 2 calc RS T P C 1
C3A C 0.7500 0.5965(9) -0.0166(10) 0.048(5) Uani 0.5 2 d DS TU P C 2
H3A H 0.7500 0.6630 0.0123 0.058 Uiso 0.5 2 calc RS T P C 2
C4 C 0.7500 0.5000 0.0268(9) 0.043(4) Uani 1 4 d DS TU P . .
C5 C 0.7500 0.5000 0.1145(10) 0.041(5) Uani 1 4 d DS TU P A .
C6 C 0.7500 0.5000 0.1887(11) 0.041(5) Uani 1 4 d DS TU P A .
C7 C 0.7500 0.5000 0.4327(8) 0.033(4) Uani 1 4 d DS TU P A .
C8 C 0.6663(13) 0.4284(11) 0.4752(8) 0.037(4) Uani 0.5 1 d D U . . .
C9 C 0.6675(14) 0.4294(11) 0.5605(8) 0.040(4) Uani 0.5 1 d D U . A .
C10 C 0.7500 0.5000 0.6032(8) 0.042(5) Uani 1 4 d DS TU P . .
H10 H 0.7500 0.5000 0.6616(8) 0.050 Uiso 1 4 d DRS T P . .
C11 C 0.580(3) 0.354(2) 0.6083(13) 0.053(7) Uani 0.5 1 d D U . A 1
H11A H 0.6176 0.3428 0.6630 0.079 Uiso 0.5 1 calc GR . . A 1
H11B H 0.5736 0.2848 0.5795 0.079 Uiso 0.5 1 calc GR . . A 1
H11C H 0.4899 0.3854 0.6134 0.079 Uiso 0.5 1 calc GR . . A 1
C12 C 0.579(3) 0.369(2) 0.4174(10) 0.040(4) Uani 0.5 1 d D U . A 2
C13 C 0.484(3) 0.291(2) 0.4373(9) 0.046(4) Uani 0.5 1 d D U . A 2
H13 H 0.4753 0.2670 0.4924 0.055 Uiso 0.5 1 calc R . . A 2
C14 C 0.403(3) 0.248(3) 0.3763(11) 0.049(5) Uani 0.5 1 d D U . A 2
H14 H 0.3278 0.2049 0.3906 0.059 Uiso 0.5 1 calc R . . A 2
C15 C 0.431(3) 0.269(3) 0.2942(10) 0.048(5) Uani 0.5 1 d D U . A 2
H15 H 0.3890 0.2282 0.2521 0.058 Uiso 0.5 1 d R . . A 2
C16 C 0.523(3) 0.349(2) 0.2741(9) 0.045(4) Uani 0.5 1 d D U . A 2
H16 H 0.5298 0.3745 0.2192 0.054 Uiso 0.5 1 d R . . A 2
C17 C 0.2500 0.0000 0.6442(9) 0.066(6) Uani 1 4 d DS TU P . .
H17 H 0.2500 0.0000 0.7025(9) 0.079 Uiso 1 4 d DRS T P . .
C18 C 0.1307(11) 0.0000 0.6008(10) 0.064(6) Uani 0.5 2 d DS TU P D 1
H18 H 0.0481 0.0000 0.6297 0.077 Uiso 0.5 2 calc RS T P D 1
C18A C 0.2500 -0.0963(9) 0.6011(10) 0.065(6) Uani 0.5 2 d DS TU P D 2
H18A H 0.2500 -0.1628 0.6300 0.078 Uiso 0.5 2 calc RS T P D 2
C19 C 0.1307(11) 0.0000 0.5159(10) 0.061(6) Uani 0.5 2 d DS TU P D 1
H19 H 0.0482 0.0000 0.4870 0.073 Uiso 0.5 2 calc RS T P D 1
C19A C 0.2500 -0.0962(9) 0.5161(10) 0.062(6) Uani 0.5 2 d DS TU P D 2
H19A H 0.2500 -0.1628 0.4872 0.074 Uiso 0.5 2 calc RS T P D 2
C20 C 0.2500 0.0000 0.4727(9) 0.058(5) Uani 1 4 d DS TU P . .
C21 C 0.2500 0.0000 0.3849(10) 0.049(5) Uani 1 4 d DS TU P B .
C22 C 0.2500 0.0000 0.3107(11) 0.045(6) Uani 1 4 d DS TU P B .
C23 C 0.2500 0.0000 0.0668(8) 0.031(4) Uani 1 4 d DS TU P B .
C24 C 0.1621(11) 0.0676(9) 0.0241(8) 0.032(3) Uani 0.5 1 d D U . . .
C25 C 0.1635(11) 0.0666(9) -0.0614(8) 0.034(4) Uani 0.5 1 d D U . B .
C26 C 0.2500 0.0000 -0.1041(8) 0.039(5) Uani 1 4 d DS TU P . .
H26 H 0.2500 0.0000 -0.1624(8) 0.047 Uiso 1 4 d DRS T P . .
C27 C 0.070(2) 0.1387(18) -0.1085(13) 0.044(6) Uani 0.5 1 d D U . B 1
H27A H 0.0838 0.1282 -0.1675 0.066 Uiso 0.5 1 calc GR . . B 1
H27B H 0.0876 0.2141 -0.0942 0.066 Uiso 0.5 1 calc GR . . B 1
H27C H -0.0228 0.1207 -0.0945 0.066 Uiso 0.5 1 calc GR . . B 1
C28 C 0.076(2) 0.1285(19) 0.0815(9) 0.033(3) Uani 0.5 1 d D U . B 2
C29 C -0.024(2) 0.2024(19) 0.0609(9) 0.039(4) Uani 0.5 1 d D U . B 2
H29 H -0.0452 0.2149 0.0049 0.047 Uiso 0.5 1 calc R . . B 2
C30 C -0.092(2) 0.258(2) 0.1220(11) 0.043(4) Uani 0.5 1 d D U . B 2
H30 H -0.1555 0.3117 0.1078 0.052 Uiso 0.5 1 calc R . . B 2
C31 C -0.068(2) 0.234(2) 0.2041(10) 0.043(4) Uani 0.5 1 d D U . B 2
H31 H -0.1214 0.2657 0.2458 0.052 Uiso 0.5 1 d R . . B 2
C32 C 0.034(2) 0.163(2) 0.2250(9) 0.041(4) Uani 0.5 1 d D U . B 2
H32 H 0.0575 0.1523 0.2810 0.049 Uiso 0.5 1 d R . . B 2


_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 N2 2.017(13) 8 ?
Pt1 N2 2.017(13) 2 ?
Pt1 N2 2.018(13) . ?
Pt1 N2 2.017(13) 7_655 ?
Pt1 C22 2.060(18) . ?
Pt1 C23 1.915(14) . ?
Pt2 N1 2.004(14) 7_755 ?
Pt2 N1 2.004(14) . ?
Pt2 N1 2.004(14) 8_565 ?
Pt2 N1 2.004(14) 2_665 ?
Pt2 C6 2.045(18) . ?
Pt2 C7 1.930(14) . ?
N1 C12 1.396(8) . ?
N1 C16 1.388(8) . ?
N2 C28 1.394(8) . ?
N2 C32 1.386(8) . ?
C1 H1 0.9500(11) . ?
C1 C2 1.388(10) 2_665 ?
C1 C2 1.388(10) . ?
C1 C2A 1.388(10) 2_665 ?
C1 C2A 1.388(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(9) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.383(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(10) . ?
C3A H3A 0.9500 . ?
C3A C4 1.390(10) . ?
C4 C3 1.386(10) 2_665 ?
C4 C3A 1.390(10) 2_665 ?
C4 C5 1.429(10) . ?
C5 C6 1.208(10) . ?
C7 C8 1.402(9) 8_565 ?
C7 C8 1.402(9) 2_665 ?
C7 C8 1.402(9) 7_755 ?
C7 C8 1.402(9) . ?
C8 C8 1.78(3) 8_565 ?
C8 C8 1.67(3) 7_755 ?
C8 C9 1.390(8) . ?
C8 C12 1.478(8) . ?
C9 C9 1.75(3) 8_565 ?
C9 C9 1.65(3) 7_755 ?
C9 C10 1.390(9) . ?
C9 C11 1.501(10) . ?
C10 C9 1.390(9) 8_565 ?
C10 C9 1.390(9) 2_665 ?
C10 C9 1.390(9) 7_755 ?
C10 H10 0.9500(11) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.397(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.391(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(9) . ?
C15 H15 0.9501 . ?
C15 C16 1.394(9) . ?
C15 C32 1.76(4) 7_655 ?
C16 H16 0.9500 . ?
C16 C31 1.89(4) 7_655 ?
C17 H17 0.9500(11) . ?
C17 C18 1.387(10) 2 ?
C17 C18 1.387(10) . ?
C17 C18A 1.386(10) . ?
C17 C18A 1.386(10) 2 ?
C18 H18 0.9500 . ?
C18 C19 1.384(9) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.384(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(10) . ?
C19A H19A 0.9500 . ?
C19A C20 1.387(10) . ?
C20 C19 1.385(10) 2 ?
C20 C19A 1.388(10) 2 ?
C20 C21 1.430(10) . ?
C21 C22 1.208(10) . ?
C23 C24 1.400(9) 7_655 ?
C23 C24 1.400(9) . ?
C23 C24 1.400(9) 8 ?
C23 C24 1.400(9) 2 ?
C24 C24 1.68(2) 8 ?
C24 C24 1.76(2) 7_655 ?
C24 C25 1.392(8) . ?
C24 C28 1.479(8) . ?
C25 C25 1.65(2) 8 ?
C25 C25 1.73(2) 7_655 ?
C25 C26 1.384(9) . ?
C25 C27 1.505(10) . ?
C26 C25 1.384(9) 7_655 ?
C26 C25 1.384(9) 2 ?
C26 C25 1.384(9) 8 ?
C26 H26 0.9500(11) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.397(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.391(8) . ?
C31 C16 1.89(4) 7_655 ?
C31 H31 0.9499 . ?
C31 C32 1.392(8) . ?
C32 C15 1.76(4) 7_655 ?
C32 H32 0.9499 . ?

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
N2 Pt1 N2 161.1(8) 8 7_655 ?
N2 Pt1 N2 161.1(8) 2 . ?
N2 Pt1 N2 82.9(13) 8 . ?
N2 Pt1 N2 94.0(13) 8 2 ?
N2 Pt1 N2 82.9(13) 7_655 2 ?
N2 Pt1 N2 94.0(13) 7_655 . ?
N2 Pt1 C22 99.4(4) 7_655 . ?
N2 Pt1 C22 99.4(4) . . ?
N2 Pt1 C22 99.4(4) 2 . ?
N2 Pt1 C22 99.4(4) 8 . ?
C23 Pt1 N2 80.6(4) . . ?
C23 Pt1 N2 80.6(4) . 8 ?
C23 Pt1 N2 80.6(4) . 2 ?
C23 Pt1 N2 80.6(4) . 7_655 ?
C23 Pt1 C22 180.0 . . ?
N1 Pt2 N1 93.4(17) . 7_755 ?
N1 Pt2 N1 83.4(18) 2_665 7_755 ?
N1 Pt2 N1 93.4(17) 2_665 8_565 ?
N1 Pt2 N1 160.6(9) 8_565 7_755 ?
N1 Pt2 N1 160.6(9) . 2_665 ?
N1 Pt2 N1 83.4(18) . 8_565 ?
N1 Pt2 C6 99.7(4) 2_665 . ?
N1 Pt2 C6 99.7(4) 7_755 . ?
N1 Pt2 C6 99.7(4) 8_565 . ?
N1 Pt2 C6 99.7(4) . . ?
C7 Pt2 N1 80.3(4) . 7_755 ?
C7 Pt2 N1 80.3(4) . . ?
C7 Pt2 N1 80.3(4) . 8_565 ?
C7 Pt2 N1 80.3(4) . 2_665 ?
C7 Pt2 C6 180.0 . . ?
C12 N1 Pt2 115.4(7) . . ?
C16 N1 Pt2 124.2(8) . . ?
C16 N1 C12 120.1(6) . . ?
C28 N2 Pt1 114.8(7) . . ?
C32 N2 Pt1 124.7(8) . . ?
C32 N2 C28 120.5(5) . . ?
C2 C1 H1 120.6(5) 2_665 . ?
C2 C1 H1 120.6(5) . . ?
C2 C1 C2 118.8(9) 2_665 . ?
C2A C1 H1 120.4(5) . . ?
C2A C1 H1 120.4(5) 2_665 . ?
C2A C1 C2A 119.2(9) . 2_665 ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(9) . . ?
C3 C2 H2 119.7 . . ?
C1 C2A H2A 119.8 . . ?
C3A C2A C1 120.4(9) . . ?
C3A C2A H2A 119.8 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.3(9) . . ?
C4 C3 H3 119.8 . . ?
C2A C3A H3A 119.7 . . ?
C2A C3A C4 120.6(9) . . ?
C4 C3A H3A 119.7 . . ?
C3 C4 C3 119.2(9) . 2_665 ?
C3 C4 C5 120.4(5) 2_665 . ?
C3 C4 C5 120.4(5) . . ?
C3A C4 C3A 118.9(9) . 2_665 ?
C3A C4 C5 120.6(5) . . ?
C3A C4 C5 120.6(5) 2_665 . ?
C6 C5 C4 180.0 . . ?
C5 C6 Pt2 180.0 . . ?
C8 C7 Pt2 119.6(4) . . ?
C8 C7 Pt2 119.6(4) 7_755 . ?
C8 C7 Pt2 119.6(4) 2_665 . ?
C8 C7 Pt2 119.6(4) 8_565 . ?
C8 C7 C8 78.6(13) 8_565 . ?
C8 C7 C8 120.9(8) 2_665 . ?
C8 C7 C8 120.9(8) 8_565 7_755 ?
C8 C7 C8 73.2(13) 7_755 . ?
C8 C7 C8 73.2(13) 2_665 8_565 ?
C8 C7 C8 78.6(13) 2_665 7_755 ?
C7 C8 C8 53.4(6) . 7_755 ?
C7 C8 C8 50.7(6) . 8_565 ?
C7 C8 C12 110.6(10) . . ?
C8 C8 C8 89.998(5) 7_755 8_565 ?
C9 C8 C7 118.9(7) . . ?
C9 C8 C8 89.5(4) . 8_565 ?
C9 C8 C8 89.5(4) . 7_755 ?
C9 C8 C12 130.3(11) . . ?
C12 C8 C8 119.7(15) . 8_565 ?
C12 C8 C8 126.2(15) . 7_755 ?
C8 C9 C9 90.5(4) . 7_755 ?
C8 C9 C9 90.5(4) . 8_565 ?
C8 C9 C10 120.8(8) . . ?
C8 C9 C11 120.5(10) . . ?
C9 C9 C9 90.000(5) 7_755 8_565 ?
C10 C9 C9 53.6(6) . 7_755 ?
C10 C9 C9 51.0(6) . 8_565 ?
C10 C9 C11 118.7(9) . . ?
C11 C9 C9 128.5(7) . 8_565 ?
C11 C9 C9 125.9(7) . 7_755 ?
C9 C10 C9 72.8(13) . 7_755 ?
C9 C10 C9 78.1(12) . 8_565 ?
C9 C10 C9 72.8(13) 2_665 8_565 ?
C9 C10 C9 78.1(13) 2_665 7_755 ?
C9 C10 C9 119.8(9) . 2_665 ?
C9 C10 C9 119.8(9) 7_755 8_565 ?
C9 C10 H10 120.1(4) . . ?
C9 C10 H10 120.1(4) 8_565 . ?
C9 C10 H10 120.1(4) 2_665 . ?
C9 C10 H10 120.1(4) 7_755 . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 C8 113.9(11) . . ?
N1 C12 C13 119.2(6) . . ?
C13 C12 C8 126.7(11) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 119.9(6) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(7) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.5(7) . . ?
C14 C15 C32 121(3) . 7_655 ?
C16 C15 H15 120.2 . . ?
C16 C15 C32 105(2) . 7_655 ?
C32 C15 H15 39.8 7_655 . ?
N1 C16 C15 119.6(6) . . ?
N1 C16 H16 120.2 . . ?
N1 C16 C31 126(3) . 7_655 ?
C15 C16 H16 120.2 . . ?
C15 C16 C31 75.8(18) . 7_655 ?
C31 C16 H16 70.3 7_655 . ?
C18 C17 H17 120.6(5) 2 . ?
C18 C17 H17 120.6(5) . . ?
C18 C17 C18 118.7(9) . 2 ?
C18A C17 H17 120.5(5) 2 . ?
C18A C17 H17 120.5(5) . . ?
C18A C17 C18A 119.0(9) 2 . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(9) . . ?
C19 C18 H18 119.7 . . ?
C17 C18A H18A 119.8 . . ?
C19A C18A C17 120.5(9) . . ?
C19A C18A H18A 119.8 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(9) . . ?
C20 C19 H19 119.7 . . ?
C18A C19A H19A 119.7 . . ?
C18A C19A C20 120.7(9) . . ?
C20 C19A H19A 119.7 . . ?
C19 C20 C19 118.9(9) . 2 ?
C19 C20 C21 120.6(5) . . ?
C19 C20 C21 120.6(5) 2 . ?
C19A C20 C19A 118.7(9) . 2 ?
C19A C20 C21 120.7(5) 2 . ?
C19A C20 C21 120.7(5) . . ?
C22 C21 C20 180.0 . . ?
C21 C22 Pt1 180.0 . . ?
C24 C23 Pt1 119.8(4) 8 . ?
C24 C23 Pt1 119.8(4) 7_655 . ?
C24 C23 Pt1 119.8(4) 2 . ?
C24 C23 Pt1 119.8(4) . . ?
C24 C23 C24 120.4(8) 2 . ?
C24 C23 C24 73.6(10) 8 . ?
C24 C23 C24 120.4(8) 8 7_655 ?
C24 C23 C24 77.8(10) 8 2 ?
C24 C23 C24 77.8(10) 7_655 . ?
C24 C23 C24 73.6(10) 7_655 2 ?
C23 C24 C24 51.1(5) . 7_655 ?
C23 C24 C24 53.2(5) . 8 ?
C23 C24 C28 110.9(9) . . ?
C24 C24 C24 89.999(1) 8 7_655 ?
C25 C24 C23 119.0(7) . . ?
C25 C24 C24 89.5(4) . 8 ?
C25 C24 C24 89.4(4) . 7_655 ?
C25 C24 C28 130.0(11) . . ?
C28 C24 C24 125.6(11) . 7_655 ?
C28 C24 C24 120.7(12) . 8 ?
C24 C25 C25 90.5(4) . 8 ?
C24 C25 C25 90.6(4) . 7_655 ?
C24 C25 C27 119.9(10) . . ?
C25 C25 C25 90.000(1) 8 7_655 ?
C26 C25 C24 121.0(8) . . ?
C26 C25 C25 51.3(5) . 7_655 ?
C26 C25 C25 53.4(5) . 8 ?
C26 C25 C27 119.1(9) . . ?
C27 C25 C25 128.5(6) . 7_655 ?
C27 C25 C25 126.4(6) . 8 ?
C25 C26 C25 73.3(10) 8 . ?
C25 C26 C25 77.4(10) 7_655 . ?
C25 C26 C25 119.6(9) 2 . ?
C25 C26 C25 77.4(10) 8 2 ?
C25 C26 C25 119.6(9) 7_655 8 ?
C25 C26 C25 73.3(10) 7_655 2 ?
C25 C26 H26 120.2(4) 8 . ?
C25 C26 H26 120.2(4) . . ?
C25 C26 H26 120.2(4) 7_655 . ?
C25 C26 H26 120.2(4) 2 . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N2 C28 C24 113.9(11) . . ?
N2 C28 C29 119.3(5) . . ?
C29 C28 C24 126.9(11) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.3(6) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 119.9(6) . . ?
C31 C30 H30 120.0 . . ?
C16 C31 H31 52.0 7_655 . ?
C30 C31 C16 117(2) . 7_655 ?
C30 C31 H31 120.1 . . ?
C30 C31 C32 119.8(6) . . ?
C32 C31 C16 99.0(17) . 7_655 ?
C32 C31 H31 120.1 . . ?
N2 C32 C15 137(2) . 7_655 ?
N2 C32 C31 119.9(6) . . ?
N2 C32 H32 120.1 . . ?
C15 C32 H32 56.1 7_655 . ?
C31 C32 C15 80.1(15) . 7_655 ?
C31 C32 H32 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 N2 C28 C24 0(3) . . . . ?
Pt1 N2 C28 C29 -180(2) . . . . ?
Pt1 N2 C32 C15 72(3) . . . 7_655 ?
Pt1 N2 C32 C31 -179(2) . . . . ?
Pt1 C23 C24 C24 117.5(6) . . . 7_655 ?
Pt1 C23 C24 C24 -115.4(5) . . . 8 ?
Pt1 C23 C24 C25 179.99(15) . . . . ?
Pt1 C23 C24 C28 -2.0(16) . . . . ?
Pt2 N1 C12 C8 0(4) . . . . ?
Pt2 N1 C12 C13 -176(3) . . . . ?
Pt2 N1 C16 C15 175(3) . . . . ?
Pt2 N1 C16 C31 81(3) . . . 7_655 ?
Pt2 C7 C8 C8 -117.6(7) . . . 8_565 ?
Pt2 C7 C8 C8 114.9(7) . . . 7_755 ?
Pt2 C7 C8 C9 179.99(15) . . . . ?
Pt2 C7 C8 C12 -6(2) . . . . ?
N1 C12 C13 C14 -9(6) . . . . ?
N2 C28 C29 C30 3(4) . . . . ?
C1 C2 C3 C4 0.000(1) . . . . ?
C1 C2A C3A C4 0.000(2) . . . . ?
C2 C1 C2 C3 0.000(1) 2_665 . . . ?
C2 C1 C2A C3A 63.0(4) . . . . ?
C2 C1 C2A C3A -63.0(4) 2_665 . . . ?
C2 C3 C4 C3 0.000(1) . . . 2_665 ?
C2 C3 C4 C3A -63.0(4) . . . 2_665 ?
C2 C3 C4 C3A 63.0(4) . . . . ?
C2 C3 C4 C5 180.000(1) . . . . ?
C2A C1 C2 C3 -63.2(4) . . . . ?
C2A C1 C2 C3 63.2(4) 2_665 . . . ?
C2A C1 C2A C3A 0.000(2) 2_665 . . . ?
C2A C3A C4 C3 63.2(4) . . . 2_665 ?
C2A C3A C4 C3 -63.2(4) . . . . ?
C2A C3A C4 C3A 0.000(1) . . . 2_665 ?
C2A C3A C4 C5 180.000(2) . . . . ?
C7 C8 C9 C9 -46.7(8) . . . 7_755 ?
C7 C8 C9 C9 43.3(8) . . . 8_565 ?
C7 C8 C9 C10 0.0(3) . . . . ?
C7 C8 C9 C11 -180.0(3) . . . . ?
C7 C8 C12 N1 4(4) . . . . ?
C7 C8 C12 C13 179(3) . . . . ?
C8 C7 C8 C8 -127.4(6) 8_565 . . 7_755 ?
C8 C7 C8 C8 62.4(7) 2_665 . . 8_565 ?
C8 C7 C8 C8 -65.1(7) 2_665 . . 7_755 ?
C8 C7 C8 C8 127.4(6) 7_755 . . 8_565 ?
C8 C7 C8 C9 65.1(7) 7_755 . . . ?
C8 C7 C8 C9 -62.4(7) 8_565 . . . ?
C8 C7 C8 C9 -0.01(15) 2_665 . . . ?
C8 C7 C8 C12 174(2) 2_665 . . . ?
C8 C7 C8 C12 112.1(18) 8_565 . . . ?
C8 C7 C8 C12 -120.5(18) 7_755 . . . ?
C8 C8 C9 C9 90.003(8) 7_755 . . 8_565 ?
C8 C8 C9 C9 -90.004(8) 8_565 . . 7_755 ?
C8 C8 C9 C9 0.001(5) 8_565 . . 8_565 ?
C8 C8 C9 C9 -0.001(3) 7_755 . . 7_755 ?
C8 C8 C9 C10 -43.3(8) 8_565 . . . ?
C8 C8 C9 C10 46.7(8) 7_755 . . . ?
C8 C8 C9 C11 136.7(8) 8_565 . . . ?
C8 C8 C9 C11 -133.3(8) 7_755 . . . ?
C8 C8 C12 N1 -55(3) 7_755 . . . ?
C8 C8 C12 N1 59(3) 8_565 . . . ?
C8 C8 C12 C13 120(3) 7_755 . . . ?
C8 C8 C12 C13 -125(3) 8_565 . . . ?
C8 C9 C10 C9 62.0(8) . . . 8_565 ?
C8 C9 C10 C9 -64.7(7) . . . 7_755 ?
C8 C9 C10 C9 -0.01(15) . . . 2_665 ?
C8 C12 C13 C14 175(4) . . . . ?
C9 C8 C12 N1 177.3(18) . . . . ?
C9 C8 C12 C13 -7(5) . . . . ?
C9 C9 C10 C9 64.7(7) 7_755 . . 2_665 ?
C9 C9 C10 C9 -62.0(7) 8_565 . . 2_665 ?
C9 C9 C10 C9 -126.7(6) 8_565 . . 7_755 ?
C9 C9 C10 C9 126.7(6) 7_755 . . 8_565 ?
C11 C9 C10 C9 -118.0(7) . . . 8_565 ?
C11 C9 C10 C9 180.0(3) . . . 2_665 ?
C11 C9 C10 C9 115.3(7) . . . 7_755 ?
C12 N1 C16 C15 -11(5) . . . . ?
C12 N1 C16 C31 -104(3) . . . 7_655 ?
C12 C8 C9 C9 140(2) . . . 7_755 ?
C12 C8 C9 C9 -130(2) . . . 8_565 ?
C12 C8 C9 C10 -173(3) . . . . ?
C12 C8 C9 C11 7(3) . . . . ?
C12 C13 C14 C15 11(6) . . . . ?
C13 C14 C15 C16 -13(6) . . . . ?
C13 C14 C15 C32 120(3) . . . 7_655 ?
C14 C15 C16 N1 13(6) . . . . ?
C14 C15 C16 C31 137(4) . . . 7_655 ?
C16 N1 C12 C8 -175(3) . . . . ?
C16 N1 C12 C13 9(5) . . . . ?
C16 C31 C32 N2 -136(2) 7_655 . . . ?
C16 C31 C32 C15 3.3(16) 7_655 . . 7_655 ?
C17 C18 C19 C20 0.000(3) . . . . ?
C17 C18A C19A C20 0.000(3) . . . . ?
C18 C17 C18 C19 0.000(3) 2 . . . ?
C18 C17 C18A C19A -63.0(4) 2 . . . ?
C18 C17 C18A C19A 63.0(4) . . . . ?
C18 C19 C20 C19 0.000(2) . . . 2 ?
C18 C19 C20 C19A -63.0(4) . . . 2 ?
C18 C19 C20 C19A 63.0(4) . . . . ?
C18 C19 C20 C21 180.000(2) . . . . ?
C18A C17 C18 C19 -63.1(4) . . . . ?
C18A C17 C18 C19 63.1(4) 2 . . . ?
C18A C17 C18A C19A 0.000(2) 2 . . . ?
C18A C19A C20 C19 63.1(4) . . . 2 ?
C18A C19A C20 C19 -63.1(4) . . . . ?
C18A C19A C20 C19A 0.000(2) . . . 2 ?
C18A C19A C20 C21 180.000(2) . . . . ?
C23 C24 C25 C25 -43.7(6) . . . 7_655 ?
C23 C24 C25 C25 46.3(6) . . . 8 ?
C23 C24 C25 C26 0.0(3) . . . . ?
C23 C24 C25 C27 -180.0(3) . . . . ?
C23 C24 C28 N2 1(3) . . . . ?
C23 C24 C28 C29 -179(2) . . . . ?
C24 C23 C24 C24 127.1(6) 7_655 . . 8 ?
C24 C23 C24 C24 -62.5(6) 2 . . 7_655 ?
C24 C23 C24 C24 -127.1(6) 8 . . 7_655 ?
C24 C23 C24 C24 64.6(5) 2 . . 8 ?
C24 C23 C24 C25 -64.6(6) 8 . . . ?
C24 C23 C24 C25 -0.01(15) 2 . . . ?
C24 C23 C24 C25 62.5(6) 7_655 . . . ?
C24 C23 C24 C28 178.0(16) 2 . . . ?
C24 C23 C24 C28 113.4(14) 8 . . . ?
C24 C23 C24 C28 -119.5(14) 7_655 . . . ?
C24 C24 C25 C25 0.002(0) 8 . . 8 ?
C24 C24 C25 C25 90.006(7) 7_655 . . 8 ?
C24 C24 C25 C25 -90.004(7) 8 . . 7_655 ?
C24 C24 C25 C25 0.000(0) 7_655 . . 7_655 ?
C24 C24 C25 C26 -46.3(6) 8 . . . ?
C24 C24 C25 C26 43.7(6) 7_655 . . . ?
C24 C24 C25 C27 133.7(6) 8 . . . ?
C24 C24 C25 C27 -136.3(6) 7_655 . . . ?
C24 C24 C28 N2 60(2) 8 . . . ?
C24 C24 C28 N2 -55(3) 7_655 . . . ?
C24 C24 C28 C29 124(2) 7_655 . . . ?
C24 C24 C28 C29 -121(3) 8 . . . ?
C24 C25 C26 C25 64.3(6) . . . 8 ?
C24 C25 C26 C25 -62.2(6) . . . 7_655 ?
C24 C25 C26 C25 -0.01(15) . . . 2 ?
C24 C28 C29 C30 -177(3) . . . . ?
C25 C24 C28 N2 179.1(14) . . . . ?
C25 C24 C28 C29 -2(4) . . . . ?
C25 C25 C26 C25 62.2(6) 7_655 . . 2 ?
C25 C25 C26 C25 -64.3(6) 8 . . 2 ?
C25 C25 C26 C25 -126.6(6) 8 . . 7_655 ?
C25 C25 C26 C25 126.6(6) 7_655 . . 8 ?
C27 C25 C26 C25 117.8(6) . . . 7_655 ?
C27 C25 C26 C25 -115.7(6) . . . 8 ?
C27 C25 C26 C25 180.0(3) . . . 2 ?
C28 N2 C32 C15 -104(2) . . . 7_655 ?
C28 N2 C32 C31 5(4) . . . . ?
C28 C24 C25 C25 138.8(16) . . . 7_655 ?
C28 C24 C25 C25 -131.2(16) . . . 8 ?
C28 C24 C25 C26 -178(2) . . . . ?
C28 C24 C25 C27 2(2) . . . . ?
C28 C29 C30 C31 -5(5) . . . . ?
C29 C30 C31 C16 127(3) . . . 7_655 ?
C29 C30 C31 C32 7(5) . . . . ?
C30 C31 C32 N2 -7(5) . . . . ?
C30 C31 C32 C15 132(3) . . . 7_655 ?
C32 N2 C28 C24 177(2) . . . . ?
C32 N2 C28 C29 -3(4) . . . . ?
C32 C15 C16 N1 -127(3) 7_655 . . . ?
C32 C15 C16 C31 -3.4(17) 7_655 . . 7_655 ?

_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
;
####################################################################### 
# 
# 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_lbn_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2051571'
loop_
_audit_author_name
_audit_author_address
'Baoning Li'
;SYSU
China
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_audit_creation_date             2018-11-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C17 H10 Cl N3 Pt'
_chemical_formula_sum            'C17 H10 Cl N3 Pt'
_chemical_formula_weight         486.82
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.36843 0.69943 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pt -4.33214 7.24634 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.6883001328
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x-1/2,y-1/2,z
7 x,-y-1/2,z-1/2
8 x-1/2,y,-z-1/2

_symmetry_Int_Tables_number      61
_cell_length_a                   16.6149(4)
_cell_length_b                   7.8827(2)
_cell_length_c                   21.6484(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2835.30(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    150.00(10)
_exptl_absorpt_coefficient_mu    20.227
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.150
_cell_measurement_reflns_used    3273
_cell_measurement_theta_min      4.8720
_cell_measurement_theta_max      74.1610
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_description       Block
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    ?
_exptl_crystal_density_diffrn    2.2808
_exptl_crystal_F_000             1796.2725
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method solvothermal
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6279
_diffrn_reflns_theta_full        66.5406
_diffrn_reflns_theta_max         66.54
_diffrn_reflns_theta_min         4.08
_diffrn_ambient_temperature      150.00(10)
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              19
_reflns_limit_h_min              0
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_gt                2140
_reflns_number_total             2503
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.9375
_refine_diff_density_min         -1.4203
_refine_diff_density_rms         0.2313
_refine_ls_d_res_high            0.8404
_refine_ls_d_res_low             10.8242
_refine_ls_goodness_of_fit_ref   0.6702
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    20
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2503
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0329
_refine_ls_restrained_S_all      0.6702
_refine_ls_shift/su_max          0.0265
_refine_ls_shift/su_mean         0.0071
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1168P)²+3.6765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1071
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15),
 C16(H16), C17(H17)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
Pt Pt 0.153426(14) 0.38634(3) 0.650403(10) 0.01448(15) Uani 1.000000 .
Cl Cl 0.01088(10) 0.37722(19) 0.66893(8) 0.0280(4) Uani 1.000000 .
N1 N 0.5813(4) 0.4335(9) 0.5953(3) 0.0420(15) Uani 1.000000 .
N2 N 0.1539(3) 0.5157(6) 0.5691(2) 0.0183(11) Uani 1.000000 .
N3 N 0.1917(3) 0.2591(5) 0.7265(2) 0.0128(9) Uani 1.000000 .
C1 C 0.5141(4) 0.4306(8) 0.6073(3) 0.0266(14) Uani 1.000000 .
C2 C 0.4286(4) 0.4250(8) 0.6199(3) 0.0235(13) Uani 1.000000 .
C3 C 0.4005(4) 0.3418(8) 0.6734(3) 0.0183(12) Uani 1.000000 .
H3 H 0.4360(4) 0.2963(8) 0.7022(3) 0.0220(14) Uiso 1.000000 R
C4 C 0.3172(4) 0.3304(7) 0.6815(3) 0.0149(11) Uani 1.000000 .
C5 C 0.2661(4) 0.4018(7) 0.6373(3) 0.0157(12) Uani 1.000000 .
C6 C 0.2950(4) 0.4826(7) 0.5837(3) 0.0194(12) Uani 1.000000 .
C7 C 0.3773(4) 0.4943(7) 0.5750(3) 0.0197(12) Uani 1.000000 .
H7 H 0.3982(4) 0.5469(7) 0.5400(3) 0.0237(15) Uiso 1.000000 R
C8 C 0.2284(4) 0.5445(7) 0.5447(2) 0.0174(12) Uani 1.000000 .
C9 C 0.2377(4) 0.6236(6) 0.4887(3) 0.0218(14) Uani 1.000000 .
H9 H 0.2889(4) 0.6414(6) 0.4726(3) 0.0262(17) Uiso 1.000000 R
C10 C 0.1710(4) 0.6762(8) 0.4565(3) 0.0276(14) Uani 1.000000 .
H10 H 0.1767(4) 0.7277(8) 0.4181(3) 0.0332(17) Uiso 1.000000 R
C11 C 0.0953(4) 0.6521(8) 0.4815(3) 0.0278(14) Uani 1.000000 .
H11 H 0.0496(4) 0.6894(8) 0.4608(3) 0.0334(17) Uiso 1.000000 R
C12 C 0.0890(4) 0.5709(8) 0.5384(3) 0.0236(13) Uani 1.000000 .
H12 H 0.0383(4) 0.5545(8) 0.5555(3) 0.0283(16) Uiso 1.000000 R
C13 C 0.2729(3) 0.2476(6) 0.7325(2) 0.0143(11) Uani 1.000000 .
C14 C 0.3081(4) 0.1603(8) 0.7817(3) 0.0217(13) Uani 1.000000 .
H14 H 0.3638(4) 0.1531(8) 0.7856(3) 0.0261(15) Uiso 1.000000 R
C15 C 0.2579(4) 0.0852(8) 0.8241(3) 0.0226(13) Uani 1.000000 .
H15 H 0.2799(4) 0.0247(8) 0.8569(3) 0.0272(16) Uiso 1.000000 R
C16 C 0.1760(4) 0.0980(8) 0.8189(3) 0.0251(14) Uani 1.000000 .
H16 H 0.1423(4) 0.0487(8) 0.8481(3) 0.0301(17) Uiso 1.000000 R
C17 C 0.1446(4) 0.1862(8) 0.7690(3) 0.0206(13) Uani 1.000000 .
H17 H 0.0891(4) 0.1949(8) 0.7650(3) 0.0247(16) Uiso 1.000000 R


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
Pt Cl 2.4032(16) . ?
Pt N2 2.035(5) . ?
Pt N3 2.031(4) . ?
Pt C5 1.897(6) . ?
N1 C1 1.147(9) . ?
N2 C8 1.366(7) . ?
N2 C12 1.339(8) . ?
N3 C13 1.358(7) . ?
N3 C17 1.338(7) . ?
C1 C2 1.447(9) . ?
C2 C3 1.412(9) . ?
C2 C7 1.404(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(8) . ?
C4 C5 1.397(9) . ?
C4 C13 1.479(8) . ?
C5 C6 1.408(8) . ?
C6 C7 1.382(9) . ?
C6 C8 1.475(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.372(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.374(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.382(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.391(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.396(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.375(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.369(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(9) . ?
C17 H17 0.9300 . ?

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
N2 Pt Cl 99.38(13) . . ?
N3 Pt Cl 99.12(13) . . ?
N3 Pt N2 161.51(18) . . ?
C5 Pt Cl 177.81(17) . . ?
C5 Pt N2 80.5(2) . . ?
C5 Pt N3 81.0(2) . . ?
C8 N2 Pt 114.9(4) . . ?
C12 N2 Pt 126.1(4) . . ?
C12 N2 C8 119.0(5) . . ?
C13 N3 Pt 114.9(4) . . ?
C17 N3 Pt 126.0(4) . . ?
C17 N3 C13 119.1(5) . . ?
C2 C1 N1 177.6(7) . . ?
C3 C2 C1 119.5(6) . . ?
C7 C2 C1 117.1(6) . . ?
C7 C2 C3 123.3(6) . . ?
H3 C3 C2 121.3(4) . . ?
C4 C3 C2 117.3(5) . . ?
C4 C3 H3 121.3(3) . . ?
C5 C4 C3 119.4(5) . . ?
C13 C4 C3 127.8(5) . . ?
C13 C4 C5 112.8(5) . . ?
C4 C5 Pt 118.1(5) . . ?
C6 C5 Pt 119.3(5) . . ?
C6 C5 C4 122.6(6) . . ?
C7 C6 C5 118.7(5) . . ?
C8 C6 C5 111.4(5) . . ?
C8 C6 C7 129.9(5) . . ?
C6 C7 C2 118.7(5) . . ?
H7 C7 C2 120.7(4) . . ?
H7 C7 C6 120.7(3) . . ?
C6 C8 N2 113.9(5) . . ?
C9 C8 N2 121.3(6) . . ?
C9 C8 C6 124.9(6) . . ?
H9 C9 C8 120.2(4) . . ?
C10 C9 C8 119.6(6) . . ?
C10 C9 H9 120.2(4) . . ?
H10 C10 C9 120.2(4) . . ?
C11 C10 C9 119.6(6) . . ?
C11 C10 H10 120.2(4) . . ?
H11 C11 C10 120.7(4) . . ?
C12 C11 C10 118.6(6) . . ?
C12 C11 H11 120.7(4) . . ?
C11 C12 N2 121.9(6) . . ?
H12 C12 N2 119.1(4) . . ?
H12 C12 C11 119.1(4) . . ?
C4 C13 N3 113.1(5) . . ?
C14 C13 N3 121.5(5) . . ?
C14 C13 C4 125.4(5) . . ?
H14 C14 C13 121.1(3) . . ?
C15 C14 C13 117.8(6) . . ?
C15 C14 H14 121.1(4) . . ?
H15 C15 C14 119.5(4) . . ?
C16 C15 C14 121.1(6) . . ?
C16 C15 H15 119.5(4) . . ?
H16 C16 C15 120.8(4) . . ?
C17 C16 C15 118.4(6) . . ?
C17 C16 H16 120.8(4) . . ?
C16 C17 N3 122.1(6) . . ?
H17 C17 N3 118.9(3) . . ?
H17 C17 C16 118.9(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
