# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2168891'
loop_
_audit_author_name
_audit_author_address
'Haibo Yao' 'Guangxi minzu university'
_audit_update_record             
;
2022-04-26 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2022-04-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H33 N3 O2 Pt'
_chemical_formula_sum            'C29 H33 N3 O2 Pt'
_chemical_formula_weight         650.67
_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'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.3260(11)
_cell_length_b                   13.3888(8)
_cell_length_c                   11.6598(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.541(2)
_cell_angle_gamma                90
_cell_volume                     2579.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9429
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.354
_cell_measurement_theta_min      2.414
_shelx_estimated_absorpt_T_max   0.584
_shelx_estimated_absorpt_T_min   0.475
_exptl_absorpt_coefficient_mu    5.472
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1308 before and 0.0837 after correction.
The Ratio of minimum to maximum transmission is 0.7584.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28584
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.505
_diffrn_reflns_theta_min         2.381
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4790
_reflns_number_total             5901
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.914
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5901
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      1.048
_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)+(0.0255P)²+2.2783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0818
_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
 C13-C11 \\sim C14A-C11 \\sim C13A-C11 \\sim C14-C11 \\sim C12A-C11 \\sim
C12-C11
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C14) \\sim Ueq, Uanis(C14A) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C13)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C12A)=Sof(H12D)=Sof(H12E)=
 Sof(H12F)=Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=1-FVAR(1)
 Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C9(H9), C18(H18), C20(H20), C27(H27)
5.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C29(H29A,
 H29B,H29C), C13A(H13D,H13E,H13F), C12A(H12D,H12E,H12F), C14A(H14D,H14E,H14F)
;
_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 0.52521(2) 0.61836(2) 0.48552(2) 0.02165(7) Uani 1 1 d . . . . .
O1 O 0.4978(2) 0.6140(2) 0.3050(3) 0.0270(7) Uani 1 1 d . . . . .
O2 O 0.4040(2) 0.6514(3) 0.4680(3) 0.0292(8) Uani 1 1 d . . . . .
N1 N 0.5513(2) 0.6260(3) 0.6666(4) 0.0230(8) Uani 1 1 d . . . . .
N2 N 0.6337(3) 0.6515(3) 0.8687(4) 0.0282(9) Uani 1 1 d . . . . .
N3 N 0.6943(2) 0.6365(3) 0.7199(3) 0.0223(8) Uani 1 1 d . . . . .
C1 C 0.4864(3) 0.6214(4) 0.7086(5) 0.0280(11) Uani 1 1 d . . . . .
H1 H 0.434687 0.607681 0.653335 0.034 Uiso 1 1 calc R U . . .
C2 C 0.4921(3) 0.6356(4) 0.8272(5) 0.0300(11) Uani 1 1 d . . . . .
H2 H 0.445733 0.633749 0.854516 0.036 Uiso 1 1 calc R U . . .
C3 C 0.5690(3) 0.6528(4) 0.9056(4) 0.0266(11) Uani 1 1 d . . . . .
H3 H 0.575011 0.665875 0.987944 0.032 Uiso 1 1 calc R U . . .
C4 C 0.6251(3) 0.6383(3) 0.7523(4) 0.0212(9) Uani 1 1 d . . . . .
C5 C 0.7748(3) 0.6485(4) 0.8012(4) 0.0242(10) Uani 1 1 d . . . . .
C6 C 0.8027(3) 0.6778(4) 0.9204(4) 0.0291(11) Uani 1 1 d . . . . .
H6 H 0.765946 0.691477 0.964535 0.035 Uiso 1 1 calc R U . . .
C7 C 0.8854(3) 0.6867(4) 0.9738(5) 0.0352(13) Uani 1 1 d . . . . .
H7 H 0.904539 0.706738 1.055670 0.042 Uiso 1 1 calc R U . . .
C8 C 0.9418(3) 0.6677(4) 0.9128(5) 0.0316(12) Uani 1 1 d . . . . .
C9 C 0.9132(3) 0.6382(4) 0.7933(5) 0.0324(12) Uani 1 1 d . . . . .
H9 H 0.950353 0.624638 0.749628 0.039 Uiso 1 1 calc R U . . .
C10 C 0.8301(3) 0.6282(3) 0.7369(4) 0.0257(10) Uani 1 1 d . . . . .
C11 C 1.0324(4) 0.6842(5) 0.9763(5) 0.0435(15) Uani 1 1 d D . . . .
C12 C 1.063(3) 0.777(3) 0.927(4) 0.048(13) Uani 0.16(2) 1 d D U P A 1
H12A H 1.076315 0.759855 0.854117 0.072 Uiso 0.16(2) 1 calc R U P A 1
H12B H 1.110643 0.803256 0.987765 0.072 Uiso 0.16(2) 1 calc R U P A 1
H12C H 1.019954 0.828166 0.908301 0.072 Uiso 0.16(2) 1 calc R U P A 1
C13 C 1.084(4) 0.591(4) 0.977(9) 0.12(3) Uani 0.16(2) 1 d D U P A 1
H13A H 1.075812 0.543294 1.036152 0.176 Uiso 0.16(2) 1 calc R U P A 1
H13B H 1.141004 0.610126 0.998889 0.176 Uiso 0.16(2) 1 calc R U P A 1
H13C H 1.067416 0.560626 0.897113 0.176 Uiso 0.16(2) 1 calc R U P A 1
C14 C 1.058(2) 0.712(3) 1.1089(17) 0.036(11) Uani 0.16(2) 1 d D U P A 1
H14A H 1.037620 0.779109 1.118139 0.054 Uiso 0.16(2) 1 calc R U P A 1
H14B H 1.116833 0.711178 1.141093 0.054 Uiso 0.16(2) 1 calc R U P A 1
H14C H 1.034772 0.663847 1.152978 0.054 Uiso 0.16(2) 1 calc R U P A 1
C15 C 0.7837(3) 0.6032(3) 0.6152(4) 0.0240(10) Uani 1 1 d . . . . .
C16 C 0.7026(3) 0.6100(3) 0.6055(4) 0.0231(10) Uani 1 1 d . . . . .
C17 C 0.6397(3) 0.5948(3) 0.4992(4) 0.0239(10) Uani 1 1 d . . . . .
C18 C 0.6676(3) 0.5700(4) 0.4007(4) 0.0249(10) Uani 1 1 d . . . . .
H18 H 0.627989 0.558222 0.325497 0.030 Uiso 1 1 calc R U . . .
C19 C 0.7481(3) 0.5613(3) 0.4049(4) 0.0257(11) Uani 1 1 d . . . . .
C20 C 0.8076(3) 0.5781(4) 0.5138(4) 0.0266(10) Uani 1 1 d . . . . .
H20 H 0.863311 0.572723 0.519513 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7701(3) 0.5318(4) 0.2909(4) 0.0294(11) Uani 1 1 d . . . . .
C22 C 0.7148(4) 0.5869(5) 0.1797(5) 0.0453(15) Uani 1 1 d . . . . .
H22A H 0.658267 0.568148 0.168251 0.068 Uiso 1 1 calc R U . . .
H22B H 0.730028 0.568257 0.108191 0.068 Uiso 1 1 calc R U . . .
H22C H 0.720967 0.659193 0.192279 0.068 Uiso 1 1 calc R U . . .
C23 C 0.7552(4) 0.4192(4) 0.2682(5) 0.0442(15) Uani 1 1 d . . . . .
H23A H 0.787190 0.381746 0.338790 0.066 Uiso 1 1 calc R U . . .
H23B H 0.771319 0.399354 0.197803 0.066 Uiso 1 1 calc R U . . .
H23C H 0.697592 0.404653 0.253605 0.066 Uiso 1 1 calc R U . . .
C24 C 0.8580(4) 0.5554(5) 0.3010(6) 0.0482(17) Uani 1 1 d . . . . .
H24A H 0.868445 0.626500 0.319413 0.072 Uiso 1 1 calc R U . . .
H24B H 0.868111 0.539864 0.224706 0.072 Uiso 1 1 calc R U . . .
H24C H 0.893867 0.515187 0.365483 0.072 Uiso 1 1 calc R U . . .
C25 C 0.4252(4) 0.6153(4) 0.1002(5) 0.0367(13) Uani 1 1 d . . . . .
H25A H 0.428065 0.683288 0.070624 0.055 Uiso 1 1 calc R U . . .
H25B H 0.375088 0.583310 0.051818 0.055 Uiso 1 1 calc R U . . .
H25C H 0.471807 0.576691 0.094027 0.055 Uiso 1 1 calc R U . . .
C26 C 0.4261(3) 0.6194(4) 0.2306(5) 0.0290(11) Uani 1 1 d . . . . .
C27 C 0.3536(3) 0.6312(4) 0.2562(5) 0.0337(12) Uani 1 1 d . . . . .
H27 H 0.305233 0.628163 0.190558 0.040 Uiso 1 1 calc R U . . .
C28 C 0.3455(3) 0.6473(4) 0.3711(5) 0.0289(11) Uani 1 1 d . . . . .
C29 C 0.2637(3) 0.6626(5) 0.3851(5) 0.0399(13) Uani 1 1 d . . . . .
H29A H 0.250000 0.605477 0.427842 0.060 Uiso 1 1 calc R U . . .
H29B H 0.223653 0.668453 0.305519 0.060 Uiso 1 1 calc R U . . .
H29C H 0.263607 0.723794 0.431094 0.060 Uiso 1 1 calc R U . . .
C13A C 1.0860(5) 0.6353(10) 0.9104(10) 0.072(4) Uani 0.84(2) 1 d D . P A 2
H13D H 1.071708 0.564563 0.896942 0.108 Uiso 0.84(2) 1 calc R U P A 2
H13E H 1.142853 0.641287 0.959056 0.108 Uiso 0.84(2) 1 calc R U P A 2
H13F H 1.078121 0.668625 0.832902 0.108 Uiso 0.84(2) 1 calc R U P A 2
C12A C 1.0474(7) 0.7973(7) 0.9818(15) 0.106(6) Uani 0.84(2) 1 d D . P A 2
H12D H 1.029204 0.825091 0.900330 0.159 Uiso 0.84(2) 1 calc R U P A 2
H12E H 1.105402 0.810334 1.017492 0.159 Uiso 0.84(2) 1 calc R U P A 2
H12F H 1.017316 0.828605 1.031161 0.159 Uiso 0.84(2) 1 calc R U P A 2
C14A C 1.0550(6) 0.6411(13) 1.1027(8) 0.090(5) Uani 0.84(2) 1 d D U P A 2
H14D H 1.027748 0.678977 1.151125 0.135 Uiso 0.84(2) 1 calc R U P A 2
H14E H 1.113773 0.645457 1.139647 0.135 Uiso 0.84(2) 1 calc R U P A 2
H14F H 1.038175 0.570960 1.098915 0.135 Uiso 0.84(2) 1 calc R U P A 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 O1 2.014(3) . ?
Pt1 O2 2.094(3) . ?
Pt1 N1 2.025(4) . ?
Pt1 C17 1.966(5) . ?
O1 C26 1.286(6) . ?
O2 C28 1.271(6) . ?
N1 C1 1.357(6) . ?
N1 C4 1.374(6) . ?
N2 C3 1.317(7) . ?
N2 C4 1.331(6) . ?
N3 C4 1.362(6) . ?
N3 C5 1.440(6) . ?
N3 C16 1.428(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.369(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(7) . ?
C3 H3 0.9500 . ?
C5 C6 1.383(7) . ?
C5 C10 1.409(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.395(8) . ?
C8 C9 1.389(7) . ?
C8 C11 1.535(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.397(7) . ?
C10 C15 1.444(7) . ?
C11 C12 1.527(16) . ?
C11 C13 1.528(17) . ?
C11 C14 1.521(16) . ?
C11 C13A 1.520(9) . ?
C11 C12A 1.534(10) . ?
C11 C14A 1.521(10) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.379(7) . ?
C15 C20 1.406(7) . ?
C16 C17 1.397(7) . ?
C17 C18 1.414(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(7) . ?
C19 C20 1.391(7) . ?
C19 C21 1.541(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.547(8) . ?
C21 C23 1.539(7) . ?
C21 C24 1.524(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C26 1.516(7) . ?
C26 C27 1.386(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.405(7) . ?
C28 C29 1.489(8) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 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
O1 Pt1 O2 89.47(14) . . ?
O1 Pt1 N1 178.61(14) . . ?
N1 Pt1 O2 89.62(15) . . ?
C17 Pt1 O1 89.65(17) . . ?
C17 Pt1 O2 176.87(16) . . ?
C17 Pt1 N1 91.20(18) . . ?
C26 O1 Pt1 125.4(3) . . ?
C28 O2 Pt1 125.8(3) . . ?
C1 N1 Pt1 115.1(3) . . ?
C1 N1 C4 115.7(4) . . ?
C4 N1 Pt1 129.1(3) . . ?
C3 N2 C4 119.3(4) . . ?
C4 N3 C5 125.1(4) . . ?
C4 N3 C16 127.4(4) . . ?
C16 N3 C5 107.0(4) . . ?
N1 C1 H1 118.6 . . ?
N1 C1 C2 122.8(5) . . ?
C2 C1 H1 118.6 . . ?
C1 C2 H2 121.6 . . ?
C1 C2 C3 116.8(5) . . ?
C3 C2 H2 121.6 . . ?
N2 C3 C2 121.6(5) . . ?
N2 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
N2 C4 N1 123.4(4) . . ?
N2 C4 N3 116.6(4) . . ?
N3 C4 N1 120.0(4) . . ?
C6 C5 N3 132.0(5) . . ?
C6 C5 C10 120.1(5) . . ?
C10 C5 N3 107.9(4) . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.5(5) . . ?
C7 C6 H6 120.7 . . ?
C6 C7 H7 118.5 . . ?
C6 C7 C8 123.0(5) . . ?
C8 C7 H7 118.5 . . ?
C7 C8 C11 120.0(5) . . ?
C9 C8 C7 118.1(5) . . ?
C9 C8 C11 121.9(5) . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.3(5) . . ?
C10 C9 H9 119.8 . . ?
C5 C10 C15 107.5(4) . . ?
C9 C10 C5 120.1(5) . . ?
C9 C10 C15 132.4(5) . . ?
C12 C11 C8 110.6(18) . . ?
C12 C11 C13 114(4) . . ?
C13 C11 C8 113(3) . . ?
C14 C11 C8 117.7(15) . . ?
C14 C11 C12 99(2) . . ?
C14 C11 C13 102(4) . . ?
C13A C11 C8 112.7(5) . . ?
C13A C11 C12A 108.9(8) . . ?
C13A C11 C14A 107.9(7) . . ?
C12A C11 C8 107.3(6) . . ?
C14A C11 C8 109.9(6) . . ?
C14A C11 C12A 110.1(8) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C10 108.5(4) . . ?
C16 C15 C20 119.9(4) . . ?
C20 C15 C10 131.6(5) . . ?
C15 C16 N3 109.1(4) . . ?
C15 C16 C17 124.5(4) . . ?
C17 C16 N3 126.4(4) . . ?
C16 C17 Pt1 123.1(4) . . ?
C16 C17 C18 112.8(4) . . ?
C18 C17 Pt1 123.8(4) . . ?
C17 C18 H18 117.3 . . ?
C19 C18 C17 125.3(5) . . ?
C19 C18 H18 117.3 . . ?
C18 C19 C20 118.7(4) . . ?
C18 C19 C21 119.9(4) . . ?
C20 C19 C21 121.4(5) . . ?
C15 C20 H20 120.6 . . ?
C19 C20 C15 118.8(5) . . ?
C19 C20 H20 120.6 . . ?
C19 C21 C22 110.4(4) . . ?
C23 C21 C19 109.1(4) . . ?
C23 C21 C22 107.1(5) . . ?
C24 C21 C19 112.4(4) . . ?
C24 C21 C22 108.6(5) . . ?
C24 C21 C23 109.2(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
O1 C26 C25 113.0(5) . . ?
O1 C26 C27 128.0(5) . . ?
C27 C26 C25 119.0(5) . . ?
C26 C27 H27 117.3 . . ?
C26 C27 C28 125.5(5) . . ?
C28 C27 H27 117.3 . . ?
O2 C28 C27 124.9(5) . . ?
O2 C28 C29 115.3(5) . . ?
C27 C28 C29 119.8(5) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C13A H13D 109.5 . . ?
C11 C13A H13E 109.5 . . ?
C11 C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C11 C12A H12D 109.5 . . ?
C11 C12A H12E 109.5 . . ?
C11 C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C11 C14A H14D 109.5 . . ?
C11 C14A H14E 109.5 . . ?
C11 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 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 O1 C26 C25 179.3(3) . . . . ?
Pt1 O1 C26 C27 1.4(7) . . . . ?
Pt1 O2 C28 C27 -7.9(7) . . . . ?
Pt1 O2 C28 C29 172.9(3) . . . . ?
Pt1 N1 C1 C2 -173.2(4) . . . . ?
Pt1 N1 C4 N2 173.5(3) . . . . ?
Pt1 N1 C4 N3 -7.0(6) . . . . ?
Pt1 C17 C18 C19 174.1(4) . . . . ?
O1 C26 C27 C28 5.2(9) . . . . ?
N1 C1 C2 C3 -1.6(7) . . . . ?
N3 C5 C6 C7 -177.0(5) . . . . ?
N3 C5 C10 C9 177.4(4) . . . . ?
N3 C5 C10 C15 -0.2(5) . . . . ?
N3 C16 C17 Pt1 5.0(7) . . . . ?
N3 C16 C17 C18 179.5(4) . . . . ?
C1 N1 C4 N2 -4.2(7) . . . . ?
C1 N1 C4 N3 175.3(4) . . . . ?
C1 C2 C3 N2 -2.7(8) . . . . ?
C3 N2 C4 N1 0.2(7) . . . . ?
C3 N2 C4 N3 -179.3(4) . . . . ?
C4 N1 C1 C2 4.9(7) . . . . ?
C4 N2 C3 C2 3.4(7) . . . . ?
C4 N3 C5 C6 -10.8(8) . . . . ?
C4 N3 C5 C10 171.8(4) . . . . ?
C4 N3 C16 C15 -170.9(4) . . . . ?
C4 N3 C16 C17 10.2(8) . . . . ?
C5 N3 C4 N1 -180.0(4) . . . . ?
C5 N3 C4 N2 -0.4(7) . . . . ?
C5 N3 C16 C15 1.4(5) . . . . ?
C5 N3 C16 C17 -177.5(5) . . . . ?
C5 C6 C7 C8 0.1(8) . . . . ?
C5 C10 C15 C16 1.1(5) . . . . ?
C5 C10 C15 C20 179.1(5) . . . . ?
C6 C5 C10 C9 -0.3(7) . . . . ?
C6 C5 C10 C15 -178.0(4) . . . . ?
C6 C7 C8 C9 -0.3(8) . . . . ?
C6 C7 C8 C11 177.0(5) . . . . ?
C7 C8 C9 C10 0.1(8) . . . . ?
C7 C8 C11 C12 -107(2) . . . . ?
C7 C8 C11 C13 124(4) . . . . ?
C7 C8 C11 C14 5(2) . . . . ?
C7 C8 C11 C13A 165.1(8) . . . . ?
C7 C8 C11 C12A -75.0(9) . . . . ?
C7 C8 C11 C14A 44.7(10) . . . . ?
C8 C9 C10 C5 0.2(8) . . . . ?
C8 C9 C10 C15 177.2(5) . . . . ?
C9 C8 C11 C12 70(2) . . . . ?
C9 C8 C11 C13 -59(4) . . . . ?
C9 C8 C11 C14 -177(2) . . . . ?
C9 C8 C11 C13A -17.7(10) . . . . ?
C9 C8 C11 C12A 102.2(9) . . . . ?
C9 C8 C11 C14A -138.2(9) . . . . ?
C9 C10 C15 C16 -176.2(5) . . . . ?
C9 C10 C15 C20 1.8(9) . . . . ?
C10 C5 C6 C7 0.1(7) . . . . ?
C10 C15 C16 N3 -1.6(5) . . . . ?
C10 C15 C16 C17 177.3(4) . . . . ?
C10 C15 C20 C19 -177.3(5) . . . . ?
C11 C8 C9 C10 -177.2(5) . . . . ?
C15 C16 C17 Pt1 -173.7(4) . . . . ?
C15 C16 C17 C18 0.8(7) . . . . ?
C16 N3 C4 N1 -9.0(7) . . . . ?
C16 N3 C4 N2 170.6(4) . . . . ?
C16 N3 C5 C6 176.7(5) . . . . ?
C16 N3 C5 C10 -0.7(5) . . . . ?
C16 C15 C20 C19 0.4(7) . . . . ?
C16 C17 C18 C19 -0.3(7) . . . . ?
C17 C18 C19 C20 0.0(7) . . . . ?
C17 C18 C19 C21 178.9(5) . . . . ?
C18 C19 C20 C15 0.0(7) . . . . ?
C18 C19 C21 C22 41.7(6) . . . . ?
C18 C19 C21 C23 -75.7(6) . . . . ?
C18 C19 C21 C24 163.0(5) . . . . ?
C20 C15 C16 N3 -179.8(4) . . . . ?
C20 C15 C16 C17 -0.9(7) . . . . ?
C20 C19 C21 C22 -139.4(5) . . . . ?
C20 C19 C21 C23 103.2(6) . . . . ?
C20 C19 C21 C24 -18.0(7) . . . . ?
C21 C19 C20 C15 -178.9(4) . . . . ?
C25 C26 C27 C28 -172.6(5) . . . . ?
C26 C27 C28 O2 -1.4(9) . . . . ?
C26 C27 C28 C29 177.7(5) . . . . ?

_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_mo_20220610_zh_gxmz_hb452_0m
_database_code_depnum_ccdc_archive 'CCDC 2243237'
loop_
_audit_author_name
_audit_author_address
'Haibo Yao'
;Guangxi minzu university
China
;
_audit_update_record             
;
2023-02-20 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H37 N3 O2 Pt'
_chemical_formula_sum            'C39 H37 N3 O2 Pt'
_chemical_formula_weight         774.80
_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'
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                   7.1489(3)
_cell_length_b                   13.8721(6)
_cell_length_c                   17.2195(7)
_cell_angle_alpha                106.605(2)
_cell_angle_beta                 93.658(2)
_cell_angle_gamma                96.398(2)
_cell_volume                     1618.03(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9907
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.433
_cell_measurement_theta_min      2.506
_shelx_estimated_absorpt_T_max   0.622
_shelx_estimated_absorpt_T_min   0.560
_exptl_absorpt_coefficient_mu    4.375
_exptl_absorpt_correction_T_max  0.3334
_exptl_absorpt_correction_T_min  0.2316
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1306 before and 0.0640 after correction.
The Ratio of minimum to maximum transmission is 0.6947.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34200
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         2.250
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6908
_reflns_number_total             7406
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.861
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         7406
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      1.070
_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)+(0.0298P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0559
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C7(H7), C13(H13), C16(H16), C18(H18), C19(H19),
 C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C32(H32), C35(H35), C36(H36),
  C37(H37), C38(H38), C39(H39)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.75453(2) 0.48349(2) 0.50000(2) 0.02276(4) Uani 1 1 d . . . . .
O1 O 0.7808(3) 0.61394(14) 0.60139(11) 0.0285(4) Uani 1 1 d . . . . .
O2 O 0.7915(3) 0.39997(14) 0.57631(11) 0.0301(4) Uani 1 1 d . . . . .
N1 N 0.7171(3) 0.56834(17) 0.42352(13) 0.0254(4) Uani 1 1 d . . . . .
N2 N 0.6197(3) 0.60188(18) 0.29972(14) 0.0313(5) Uani 1 1 d . . . . .
N3 N 0.6401(3) 0.43815(17) 0.29774(13) 0.0236(4) Uani 1 1 d . . . . .
C1 C 0.6595(4) 0.5385(2) 0.34233(16) 0.0240(5) Uani 1 1 d . . . . .
C2 C 0.7477(5) 0.6697(2) 0.45878(18) 0.0389(7) Uani 1 1 d . . . . .
H2 H 0.795024 0.694430 0.514684 0.047 Uiso 1 1 calc R U . . .
C3 C 0.7142(5) 0.7391(2) 0.41822(19) 0.0413(7) Uani 1 1 d . . . . .
H3 H 0.736647 0.810127 0.444694 0.050 Uiso 1 1 calc R U . . .
C4 C 0.6466(4) 0.7007(2) 0.33767(18) 0.0332(6) Uani 1 1 d . . . . .
H4 H 0.618195 0.746383 0.308048 0.040 Uiso 1 1 calc R U . . .
C5 C 0.6794(3) 0.35635(19) 0.32762(15) 0.0219(5) Uani 1 1 d . . . . .
C6 C 0.7276(4) 0.3586(2) 0.40812(15) 0.0241(5) Uani 1 1 d . . . . .
C7 C 0.7512(4) 0.2630(2) 0.41678(15) 0.0256(5) Uani 1 1 d . . . . .
H7 H 0.784386 0.259619 0.470162 0.031 Uiso 1 1 calc R U . . .
C8 C 0.7296(4) 0.17186(19) 0.35293(15) 0.0247(5) Uani 1 1 d . . . . .
C9 C 0.7455(4) 0.0718(2) 0.37245(15) 0.0285(5) Uani 1 1 d . . . . .
C10 C 0.9361(5) 0.0780(2) 0.42102(19) 0.0415(7) Uani 1 1 d . . . . .
H10A H 1.039114 0.092035 0.389193 0.062 Uiso 1 1 calc R U . . .
H10B H 0.945284 0.013375 0.432463 0.062 Uiso 1 1 calc R U . . .
H10C H 0.945839 0.132708 0.472433 0.062 Uiso 1 1 calc R U . . .
C11 C 0.5861(5) 0.0518(2) 0.42310(19) 0.0440(8) Uani 1 1 d . . . . .
H11A H 0.596330 0.107681 0.473770 0.066 Uiso 1 1 calc R U . . .
H11B H 0.595981 -0.011992 0.435947 0.066 Uiso 1 1 calc R U . . .
H11C H 0.463809 0.046816 0.392104 0.066 Uiso 1 1 calc R U . . .
C12 C 0.7305(5) -0.0187(2) 0.29546(17) 0.0377(7) Uani 1 1 d . . . . .
H12A H 0.604163 -0.029080 0.266288 0.057 Uiso 1 1 calc R U . . .
H12B H 0.751596 -0.079864 0.310652 0.057 Uiso 1 1 calc R U . . .
H12C H 0.826062 -0.005200 0.260206 0.057 Uiso 1 1 calc R U . . .
C13 C 0.6844(4) 0.1751(2) 0.27387(15) 0.0252(5) Uani 1 1 d . . . . .
H13 H 0.671585 0.115158 0.229041 0.030 Uiso 1 1 calc R U . . .
C14 C 0.6584(4) 0.2679(2) 0.26201(15) 0.0239(5) Uani 1 1 d . . . . .
C15 C 0.6053(4) 0.2943(2) 0.18901(16) 0.0255(5) Uani 1 1 d . . . . .
C16 C 0.5674(4) 0.2349(2) 0.10816(15) 0.0294(6) Uani 1 1 d . . . . .
H16 H 0.574469 0.164131 0.094240 0.035 Uiso 1 1 calc R U . . .
C17 C 0.5193(4) 0.2786(2) 0.04764(16) 0.0319(6) Uani 1 1 d . . . . .
C18 C 0.5070(4) 0.3827(2) 0.07182(16) 0.0371(7) Uani 1 1 d . . . . .
H18 H 0.473752 0.413510 0.031113 0.045 Uiso 1 1 calc R U . . .
C19 C 0.5411(4) 0.4440(2) 0.15283(16) 0.0345(6) Uani 1 1 d . . . . .
H19 H 0.528970 0.514241 0.167175 0.041 Uiso 1 1 calc R U . . .
C20 C 0.5933(4) 0.3984(2) 0.21142(15) 0.0253(5) Uani 1 1 d . . . . .
C21 C 0.4768(4) 0.2121(2) -0.04174(16) 0.0370(7) Uani 1 1 d . . . . .
C22 C 0.4741(6) 0.2761(3) -0.10130(18) 0.0554(9) Uani 1 1 d . . . . .
H22A H 0.367868 0.315670 -0.092821 0.083 Uiso 1 1 calc R U . . .
H22B H 0.459893 0.231244 -0.157376 0.083 Uiso 1 1 calc R U . . .
H22C H 0.593010 0.322364 -0.091652 0.083 Uiso 1 1 calc R U . . .
C23 C 0.2837(6) 0.1478(4) -0.0522(2) 0.0662(12) Uani 1 1 d . . . . .
H23A H 0.285029 0.104769 -0.015942 0.099 Uiso 1 1 calc R U . . .
H23B H 0.256086 0.105027 -0.108806 0.099 Uiso 1 1 calc R U . . .
H23C H 0.186066 0.192517 -0.038535 0.099 Uiso 1 1 calc R U . . .
C24 C 0.6298(6) 0.1434(3) -0.06453(19) 0.0580(10) Uani 1 1 d . . . . .
H24A H 0.754258 0.184965 -0.053167 0.087 Uiso 1 1 calc R U . . .
H24B H 0.607979 0.105976 -0.122638 0.087 Uiso 1 1 calc R U . . .
H24C H 0.625517 0.095346 -0.032420 0.087 Uiso 1 1 calc R U . . .
C25 C 0.8007(5) 0.2509(2) 0.64886(18) 0.0370(7) Uani 1 1 d . . . . .
H25 H 0.741223 0.235408 0.594995 0.044 Uiso 1 1 calc R U . . .
C26 C 0.8263(5) 0.1725(2) 0.68208(19) 0.0417(7) Uani 1 1 d . . . . .
H26 H 0.785665 0.104043 0.650885 0.050 Uiso 1 1 calc R U . . .
C27 C 0.9106(5) 0.1944(3) 0.76025(19) 0.0418(7) Uani 1 1 d . . . . .
H27 H 0.926300 0.141134 0.783546 0.050 Uiso 1 1 calc R U . . .
C28 C 0.9718(5) 0.2932(3) 0.80453(19) 0.0497(8) Uani 1 1 d . . . . .
H28 H 1.030799 0.307940 0.858400 0.060 Uiso 1 1 calc R U . . .
C29 C 0.9487(5) 0.3717(2) 0.77154(18) 0.0421(7) Uani 1 1 d . . . . .
H29 H 0.993173 0.439782 0.802628 0.050 Uiso 1 1 calc R U . . .
C30 C 0.8603(4) 0.3512(2) 0.69285(16) 0.0262(5) Uani 1 1 d . . . . .
C31 C 0.8316(4) 0.4338(2) 0.65440(16) 0.0249(5) Uani 1 1 d . . . . .
C32 C 0.8473(4) 0.5335(2) 0.70263(16) 0.0282(5) Uani 1 1 d . . . . .
H32 H 0.877855 0.546177 0.759479 0.034 Uiso 1 1 calc R U . . .
C33 C 0.8219(4) 0.6179(2) 0.67497(16) 0.0251(5) Uani 1 1 d . . . . .
C34 C 0.8420(4) 0.7210(2) 0.73536(16) 0.0259(5) Uani 1 1 d . . . . .
C35 C 0.7701(4) 0.7997(2) 0.71231(18) 0.0309(6) Uani 1 1 d . . . . .
H35 H 0.706821 0.786296 0.659363 0.037 Uiso 1 1 calc R U . . .
C36 C 0.7903(4) 0.8966(2) 0.76586(19) 0.0372(7) Uani 1 1 d . . . . .
H36 H 0.740044 0.949126 0.749505 0.045 Uiso 1 1 calc R U . . .
C37 C 0.8832(4) 0.9178(2) 0.84311(18) 0.0382(7) Uani 1 1 d . . . . .
H37 H 0.897829 0.984682 0.879588 0.046 Uiso 1 1 calc R U . . .
C38 C 0.9546(4) 0.8405(2) 0.86659(18) 0.0372(7) Uani 1 1 d . . . . .
H38 H 1.018212 0.854404 0.919540 0.045 Uiso 1 1 calc R U . . .
C39 C 0.9338(4) 0.7434(2) 0.81354(17) 0.0315(6) Uani 1 1 d . . . . .
H39 H 0.982912 0.691084 0.830598 0.038 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 O1 2.1060(19) . ?
Pt1 O2 2.0082(18) . ?
Pt1 N1 2.026(2) . ?
Pt1 C6 1.965(3) . ?
O1 C33 1.266(3) . ?
O2 C31 1.293(3) . ?
N1 C1 1.361(3) . ?
N1 C2 1.349(4) . ?
N2 C1 1.338(3) . ?
N2 C4 1.326(4) . ?
N3 C1 1.371(3) . ?
N3 C5 1.420(3) . ?
N3 C20 1.433(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.374(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.370(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(3) . ?
C5 C14 1.396(4) . ?
C6 C7 1.404(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.404(4) . ?
C8 C9 1.533(4) . ?
C8 C13 1.394(3) . ?
C9 C10 1.533(4) . ?
C9 C11 1.526(4) . ?
C9 C12 1.532(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C14 1.390(4) . ?
C14 C15 1.446(4) . ?
C15 C16 1.392(4) . ?
C15 C20 1.399(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.390(4) . ?
C17 C18 1.399(4) . ?
C17 C21 1.542(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.400(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(4) . ?
C21 C22 1.538(4) . ?
C21 C23 1.528(5) . ?
C21 C24 1.527(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.389(4) . ?
C25 C30 1.384(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.374(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.370(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.395(4) . ?
C30 C31 1.503(4) . ?
C31 C32 1.383(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.410(4) . ?
C33 C34 1.494(4) . ?
C34 C35 1.400(4) . ?
C34 C39 1.394(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.382(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(4) . ?
C39 H39 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
O2 Pt1 O1 89.03(7) . . ?
O2 Pt1 N1 179.71(7) . . ?
N1 Pt1 O1 90.68(8) . . ?
C6 Pt1 O1 177.84(8) . . ?
C6 Pt1 O2 88.95(9) . . ?
C6 Pt1 N1 91.34(10) . . ?
C33 O1 Pt1 126.22(17) . . ?
C31 O2 Pt1 126.53(17) . . ?
C1 N1 Pt1 129.70(18) . . ?
C2 N1 Pt1 115.21(18) . . ?
C2 N1 C1 115.1(2) . . ?
C4 N2 C1 118.3(2) . . ?
C1 N3 C5 126.0(2) . . ?
C1 N3 C20 125.9(2) . . ?
C5 N3 C20 107.8(2) . . ?
N1 C1 N3 120.9(2) . . ?
N2 C1 N1 124.3(2) . . ?
N2 C1 N3 114.9(2) . . ?
N1 C2 H2 118.2 . . ?
N1 C2 C3 123.5(3) . . ?
C3 C2 H2 118.2 . . ?
C2 C3 H3 121.7 . . ?
C4 C3 C2 116.6(3) . . ?
C4 C3 H3 121.7 . . ?
N2 C4 C3 122.1(3) . . ?
N2 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C6 C5 N3 128.1(2) . . ?
C14 C5 N3 108.5(2) . . ?
C14 C5 C6 123.4(2) . . ?
C5 C6 Pt1 122.98(19) . . ?
C5 C6 C7 113.4(2) . . ?
C7 C6 Pt1 123.61(19) . . ?
C6 C7 H7 117.4 . . ?
C8 C7 C6 125.3(2) . . ?
C8 C7 H7 117.4 . . ?
C7 C8 C9 119.4(2) . . ?
C13 C8 C7 118.4(2) . . ?
C13 C8 C9 122.1(2) . . ?
C8 C9 C10 110.2(2) . . ?
C11 C9 C8 109.2(2) . . ?
C11 C9 C10 109.1(2) . . ?
C11 C9 C12 108.2(2) . . ?
C12 C9 C8 112.3(2) . . ?
C12 C9 C10 107.8(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
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 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13 120.7 . . ?
C14 C13 C8 118.6(2) . . ?
C14 C13 H13 120.7 . . ?
C5 C14 C15 107.9(2) . . ?
C13 C14 C5 120.9(2) . . ?
C13 C14 C15 131.2(2) . . ?
C16 C15 C14 131.1(3) . . ?
C16 C15 C20 121.0(2) . . ?
C20 C15 C14 107.9(2) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 117.4(2) . . ?
C16 C17 C21 120.0(3) . . ?
C18 C17 C21 122.6(3) . . ?
C17 C18 H18 118.3 . . ?
C17 C18 C19 123.5(3) . . ?
C19 C18 H18 118.3 . . ?
C18 C19 H19 121.2 . . ?
C20 C19 C18 117.6(3) . . ?
C20 C19 H19 121.2 . . ?
C15 C20 N3 107.9(2) . . ?
C19 C20 N3 132.0(2) . . ?
C19 C20 C15 120.1(2) . . ?
C22 C21 C17 112.1(3) . . ?
C23 C21 C17 109.0(2) . . ?
C23 C21 C22 108.7(3) . . ?
C24 C21 C17 110.0(2) . . ?
C24 C21 C22 106.9(3) . . ?
C24 C21 C23 110.1(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25 119.4 . . ?
C30 C25 H25 119.4 . . ?
C30 C25 C26 121.2(3) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(3) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 119.9(3) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.7(3) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.3(3) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 118.2(3) . . ?
C25 C30 C31 119.5(2) . . ?
C29 C30 C31 122.3(3) . . ?
O2 C31 C30 113.0(2) . . ?
O2 C31 C32 127.2(2) . . ?
C32 C31 C30 119.8(2) . . ?
C31 C32 H32 117.1 . . ?
C31 C32 C33 125.8(2) . . ?
C33 C32 H32 117.1 . . ?
O1 C33 C32 124.9(2) . . ?
O1 C33 C34 115.9(2) . . ?
C32 C33 C34 119.2(2) . . ?
C35 C34 C33 119.0(2) . . ?
C39 C34 C33 122.9(3) . . ?
C39 C34 C35 118.0(3) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.6(3) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.6(3) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 120.4 . . ?
C38 C37 C36 119.2(3) . . ?
C38 C37 H37 120.4 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.4(3) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.5 . . ?
C38 C39 C34 121.1(3) . . ?
C38 C39 H39 119.5 . . ?

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 O1 C33 C32 -3.8(4) . . . . ?
Pt1 O1 C33 C34 176.88(16) . . . . ?
Pt1 O2 C31 C30 -176.81(17) . . . . ?
Pt1 O2 C31 C32 3.9(4) . . . . ?
Pt1 N1 C1 N2 172.2(2) . . . . ?
Pt1 N1 C1 N3 -8.5(4) . . . . ?
Pt1 N1 C2 C3 -174.4(3) . . . . ?
Pt1 C6 C7 C8 178.7(2) . . . . ?
O1 C33 C34 C35 15.9(4) . . . . ?
O1 C33 C34 C39 -162.4(2) . . . . ?
O2 C31 C32 C33 0.0(5) . . . . ?
N1 C2 C3 C4 -0.2(5) . . . . ?
N3 C5 C6 Pt1 -0.9(4) . . . . ?
N3 C5 C6 C7 178.0(2) . . . . ?
N3 C5 C14 C13 -178.6(2) . . . . ?
N3 C5 C14 C15 0.2(3) . . . . ?
C1 N1 C2 C3 3.5(5) . . . . ?
C1 N2 C4 C3 0.3(4) . . . . ?
C1 N3 C5 C6 6.6(4) . . . . ?
C1 N3 C5 C14 -174.7(2) . . . . ?
C1 N3 C20 C15 174.4(2) . . . . ?
C1 N3 C20 C19 -6.2(4) . . . . ?
C2 N1 C1 N2 -5.3(4) . . . . ?
C2 N1 C1 N3 174.0(3) . . . . ?
C2 C3 C4 N2 -1.9(5) . . . . ?
C4 N2 C1 N1 3.5(4) . . . . ?
C4 N2 C1 N3 -175.8(2) . . . . ?
C5 N3 C1 N1 -1.6(4) . . . . ?
C5 N3 C1 N2 177.8(2) . . . . ?
C5 N3 C20 C15 -0.4(3) . . . . ?
C5 N3 C20 C19 178.9(3) . . . . ?
C5 C6 C7 C8 -0.2(4) . . . . ?
C5 C14 C15 C16 -180.0(3) . . . . ?
C5 C14 C15 C20 -0.5(3) . . . . ?
C6 C5 C14 C13 0.2(4) . . . . ?
C6 C5 C14 C15 179.0(2) . . . . ?
C6 C7 C8 C9 -175.5(2) . . . . ?
C6 C7 C8 C13 1.2(4) . . . . ?
C7 C8 C9 C10 -56.2(3) . . . . ?
C7 C8 C9 C11 63.5(3) . . . . ?
C7 C8 C9 C12 -176.5(2) . . . . ?
C7 C8 C13 C14 -1.5(4) . . . . ?
C8 C13 C14 C5 0.8(4) . . . . ?
C8 C13 C14 C15 -177.6(3) . . . . ?
C9 C8 C13 C14 175.1(2) . . . . ?
C13 C8 C9 C10 127.2(3) . . . . ?
C13 C8 C9 C11 -113.0(3) . . . . ?
C13 C8 C9 C12 7.0(4) . . . . ?
C13 C14 C15 C16 -1.3(5) . . . . ?
C13 C14 C15 C20 178.2(3) . . . . ?
C14 C5 C6 Pt1 -179.43(19) . . . . ?
C14 C5 C6 C7 -0.5(4) . . . . ?
C14 C15 C16 C17 -179.6(3) . . . . ?
C14 C15 C20 N3 0.6(3) . . . . ?
C14 C15 C20 C19 -178.9(2) . . . . ?
C15 C16 C17 C18 -1.4(4) . . . . ?
C15 C16 C17 C21 -179.7(3) . . . . ?
C16 C15 C20 N3 -179.9(2) . . . . ?
C16 C15 C20 C19 0.7(4) . . . . ?
C16 C17 C18 C19 0.3(5) . . . . ?
C16 C17 C21 C22 -166.2(3) . . . . ?
C16 C17 C21 C23 73.5(4) . . . . ?
C16 C17 C21 C24 -47.3(4) . . . . ?
C17 C18 C19 C20 1.3(5) . . . . ?
C18 C17 C21 C22 15.5(4) . . . . ?
C18 C17 C21 C23 -104.8(4) . . . . ?
C18 C17 C21 C24 134.4(3) . . . . ?
C18 C19 C20 N3 179.0(3) . . . . ?
C18 C19 C20 C15 -1.7(4) . . . . ?
C20 N3 C1 N1 -175.5(2) . . . . ?
C20 N3 C1 N2 3.9(4) . . . . ?
C20 N3 C5 C6 -178.6(2) . . . . ?
C20 N3 C5 C14 0.1(3) . . . . ?
C20 C15 C16 C17 0.9(4) . . . . ?
C21 C17 C18 C19 178.6(3) . . . . ?
C25 C26 C27 C28 -1.1(5) . . . . ?
C25 C30 C31 O2 -14.9(4) . . . . ?
C25 C30 C31 C32 164.4(3) . . . . ?
C26 C25 C30 C29 0.6(5) . . . . ?
C26 C25 C30 C31 179.4(3) . . . . ?
C26 C27 C28 C29 0.4(5) . . . . ?
C27 C28 C29 C30 0.8(6) . . . . ?
C28 C29 C30 C25 -1.2(5) . . . . ?
C28 C29 C30 C31 179.9(3) . . . . ?
C29 C30 C31 O2 163.9(3) . . . . ?
C29 C30 C31 C32 -16.8(4) . . . . ?
C30 C25 C26 C27 0.6(5) . . . . ?
C30 C31 C32 C33 -179.2(3) . . . . ?
C31 C32 C33 O1 0.0(5) . . . . ?
C31 C32 C33 C34 179.4(3) . . . . ?
C32 C33 C34 C35 -163.5(3) . . . . ?
C32 C33 C34 C39 18.2(4) . . . . ?
C33 C34 C35 C36 -178.3(2) . . . . ?
C33 C34 C39 C38 177.9(3) . . . . ?
C34 C35 C36 C37 0.4(4) . . . . ?
C35 C34 C39 C38 -0.4(4) . . . . ?
C35 C36 C37 C38 -0.6(4) . . . . ?
C36 C37 C38 C39 0.2(4) . . . . ?
C37 C38 C39 C34 0.3(4) . . . . ?
C39 C34 C35 C36 0.0(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 106.8 39.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_mo_20220418_gxmz_hb34_r_0m
_database_code_depnum_ccdc_archive 'CCDC 2168892'
loop_
_audit_author_name
_audit_author_address
'Haibo Yao'
;Guangxi minzu university
China
;
_audit_update_record             
;
2022-04-26 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2022-04-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H39 N3 O4 Pt2, C H2 Cl2'
_chemical_formula_sum            'C35 H41 Cl2 N3 O4 Pt2'
_chemical_formula_weight         1028.79
_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'
Cl Cl 0.1484 0.1585 '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                   9.2531(4)
_cell_length_b                   13.6498(7)
_cell_length_c                   14.3158(7)
_cell_angle_alpha                77.502(2)
_cell_angle_beta                 85.395(2)
_cell_angle_gamma                84.441(2)
_cell_volume                     1753.70(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.494
_cell_measurement_theta_min      2.727
_shelx_estimated_absorpt_T_max   0.374
_shelx_estimated_absorpt_T_min   0.292
_exptl_absorpt_coefficient_mu    8.162
_exptl_absorpt_correction_T_max  0.3334
_exptl_absorpt_correction_T_min  0.1300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1312 before and 0.0867 after correction.
The Ratio of minimum to maximum transmission is 0.3899.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            34302
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         2.329
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7789
_reflns_number_total             8021
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         3.410
_refine_diff_density_min         -6.039
_refine_diff_density_rms         0.531
_refine_ls_extinction_coef       0.106(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.355
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         8021
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0613
_refine_ls_restrained_S_all      1.355
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0824P)²+1.8600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1421
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C12(H12), C17(H17), C19(H19), C24(H24),
 C26(H26)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C10(H10A,H10B,H10C), C14(H14A,H14B,H14C),
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.37199(2) 0.52707(2) 0.58347(2) 0.01910(13) Uani 1 1 d . . . . .
Pt2 Pt 0.66081(2) 0.93026(2) 0.49645(2) 0.02039(13) Uani 1 1 d . . . . .
O1 O 0.2309(4) 0.5201(3) 0.4763(3) 0.0284(8) Uani 1 1 d . . . . .
O2 O 0.3092(5) 0.3941(3) 0.6572(3) 0.0291(9) Uani 1 1 d . . . . .
O3 O 0.6561(5) 0.9890(3) 0.3481(3) 0.0308(9) Uani 1 1 d . . . . .
O4 O 0.7985(5) 1.0324(3) 0.5064(3) 0.0297(9) Uani 1 1 d . . . . .
N1 N 0.4283(5) 0.6661(3) 0.5124(3) 0.0198(8) Uani 1 1 d . . . . .
N2 N 0.5249(5) 0.8265(3) 0.4834(3) 0.0204(8) Uani 1 1 d . . . . .
N3 N 0.5600(5) 0.7107(3) 0.6290(3) 0.0187(8) Uani 1 1 d . . . . .
C1 C 0.1979(8) 0.2418(5) 0.7034(5) 0.0411(15) Uani 1 1 d . . . . .
H1A H 0.284461 0.218128 0.739721 0.062 Uiso 1 1 calc R U . . .
H1B H 0.173712 0.189218 0.671637 0.062 Uiso 1 1 calc R U . . .
H1C H 0.116080 0.257288 0.747110 0.062 Uiso 1 1 calc R U . . .
C2 C 0.2282(7) 0.3360(5) 0.6284(5) 0.0276(13) Uani 1 1 d . . . . .
C3 C 0.1689(7) 0.3529(5) 0.5400(5) 0.0343(13) Uani 1 1 d . . . . .
H3 H 0.122636 0.299251 0.525585 0.041 Uiso 1 1 calc R U . . .
C4 C 0.1713(7) 0.4425(6) 0.4697(5) 0.0272(13) Uani 1 1 d . . . . .
C5 C 0.0929(7) 0.4499(6) 0.3803(5) 0.0391(16) Uani 1 1 d . . . . .
H5A H -0.011139 0.466814 0.393070 0.059 Uiso 1 1 calc R U . . .
H5B H 0.106715 0.385174 0.360229 0.059 Uiso 1 1 calc R U . . .
H5C H 0.131861 0.502433 0.329208 0.059 Uiso 1 1 calc R U . . .
C6 C 0.3733(7) 0.6921(5) 0.4246(4) 0.0271(12) Uani 1 1 d . . . . .
H6 H 0.327359 0.643663 0.401176 0.033 Uiso 1 1 calc R U . . .
C7 C 0.3825(7) 0.7859(5) 0.3694(4) 0.0311(12) Uani 1 1 d . . . . .
H7 H 0.338505 0.804499 0.309749 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4560(7) 0.8531(5) 0.4011(4) 0.0259(12) Uani 1 1 d . . . . .
H8 H 0.458589 0.919973 0.364570 0.031 Uiso 1 1 calc R U . . .
C9 C 0.5040(6) 0.7347(4) 0.5416(3) 0.0171(12) Uani 1 1 d . . . . .
C10 C 0.6662(8) 1.1067(6) 0.2014(5) 0.0440(16) Uani 1 1 d . . . . .
H10A H 0.713814 1.058034 0.165080 0.066 Uiso 1 1 calc R U . . .
H10B H 0.701294 1.173133 0.175040 0.066 Uiso 1 1 calc R U . . .
H10C H 0.560666 1.110306 0.196559 0.066 Uiso 1 1 calc R U . . .
C11 C 0.7015(7) 1.0733(5) 0.3060(4) 0.0312(12) Uani 1 1 d . . . . .
C12 C 0.7827(8) 1.1330(5) 0.3472(5) 0.0374(14) Uani 1 1 d . . . . .
H12 H 0.806594 1.196118 0.309196 0.045 Uiso 1 1 calc R U . . .
C13 C 0.8307(7) 1.1065(5) 0.4394(6) 0.0304(14) Uani 1 1 d . . . . .
C14 C 0.9311(8) 1.1734(5) 0.4679(6) 0.0422(16) Uani 1 1 d . . . . .
H14A H 0.918844 1.168873 0.537342 0.063 Uiso 1 1 calc R U . . .
H14B H 0.908063 1.243143 0.434561 0.063 Uiso 1 1 calc R U . . .
H14C H 1.031917 1.151835 0.450570 0.063 Uiso 1 1 calc R U . . .
C15 C 0.5559(6) 0.6158(4) 0.6963(4) 0.0199(10) Uani 1 1 d . . . . .
C16 C 0.4981(6) 0.5290(4) 0.6874(3) 0.0190(9) Uani 1 1 d . . . . .
C17 C 0.5282(6) 0.4445(4) 0.7605(4) 0.0233(10) Uani 1 1 d . . . . .
H17 H 0.493463 0.382573 0.755845 0.028 Uiso 1 1 calc R U . . .
C18 C 0.6064(6) 0.4459(4) 0.8399(4) 0.0231(10) Uani 1 1 d . . . . .
C19 C 0.6501(6) 0.5378(4) 0.8501(4) 0.0237(11) Uani 1 1 d . . . . .
H19 H 0.696640 0.542457 0.905564 0.028 Uiso 1 1 calc R U . . .
C20 C 0.6247(6) 0.6226(4) 0.7777(4) 0.0213(10) Uani 1 1 d . . . . .
C21 C 0.6668(6) 0.7244(4) 0.7656(4) 0.0213(10) Uani 1 1 d . . . . .
C22 C 0.6321(6) 0.7756(4) 0.6727(4) 0.0209(10) Uani 1 1 d . . . . .
C23 C 0.6740(6) 0.8720(4) 0.6333(4) 0.0222(10) Uani 1 1 d . . . . .
C24 C 0.7396(6) 0.9177(4) 0.6967(4) 0.0251(11) Uani 1 1 d . . . . .
H24 H 0.767732 0.984136 0.673535 0.030 Uiso 1 1 calc R U . . .
C25 C 0.7659(6) 0.8713(4) 0.7919(4) 0.0258(11) Uani 1 1 d . . . . .
C26 C 0.7318(6) 0.7723(4) 0.8255(4) 0.0239(10) Uani 1 1 d . . . . .
H26 H 0.752786 0.737815 0.888654 0.029 Uiso 1 1 calc R U . . .
C27 C 0.6465(7) 0.3474(4) 0.9117(4) 0.0306(12) Uani 1 1 d . . . . .
C28 C 0.7757(10) 0.2907(6) 0.8636(6) 0.0479(19) Uani 1 1 d . . . . .
H28A H 0.744795 0.274562 0.805194 0.072 Uiso 1 1 calc R U . . .
H28B H 0.806742 0.228352 0.908126 0.072 Uiso 1 1 calc R U . . .
H28C H 0.857049 0.333544 0.847220 0.072 Uiso 1 1 calc R U . . .
C29 C 0.5200(11) 0.2820(7) 0.9343(7) 0.067(3) Uani 1 1 d . . . . .
H29A H 0.440410 0.315541 0.968108 0.101 Uiso 1 1 calc R U . . .
H29B H 0.551226 0.217046 0.974800 0.101 Uiso 1 1 calc R U . . .
H29C H 0.486300 0.270909 0.874452 0.101 Uiso 1 1 calc R U . . .
C30 C 0.6974(10) 0.3659(5) 1.0046(5) 0.0445(17) Uani 1 1 d . . . . .
H30A H 0.782864 0.405025 0.990301 0.067 Uiso 1 1 calc R U . . .
H30B H 0.722935 0.301264 1.047485 0.067 Uiso 1 1 calc R U . . .
H30C H 0.619118 0.403440 1.035723 0.067 Uiso 1 1 calc R U . . .
C31 C 0.8249(7) 0.9302(4) 0.8593(4) 0.0319(12) Uani 1 1 d . . . . .
C32 C 0.6980(12) 0.9815(9) 0.9077(8) 0.071(3) Uani 1 1 d . . . . .
H32A H 0.628866 1.014550 0.860017 0.107 Uiso 1 1 calc R U . . .
H32B H 0.732981 1.031987 0.937940 0.107 Uiso 1 1 calc R U . . .
H32C H 0.649741 0.931439 0.956706 0.107 Uiso 1 1 calc R U . . .
C33 C 0.9204(9) 1.0119(6) 0.8042(6) 0.0463(17) Uani 1 1 d . . . . .
H33A H 0.989067 0.983621 0.759248 0.069 Uiso 1 1 calc R U . . .
H33B H 0.974377 1.036477 0.849414 0.069 Uiso 1 1 calc R U . . .
H33C H 0.858847 1.067761 0.768565 0.069 Uiso 1 1 calc R U . . .
C34 C 0.9194(15) 0.8605(6) 0.9332(8) 0.087(4) Uani 1 1 d . . . . .
H34A H 0.858620 0.813549 0.977042 0.130 Uiso 1 1 calc R U . . .
H34B H 0.965454 0.900728 0.969648 0.130 Uiso 1 1 calc R U . . .
H34C H 0.994752 0.822540 0.900194 0.130 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0461(2) 0.62506(16) 0.81764(14) 0.0512(4) Uani 1 1 d . . . . .
Cl2 Cl 0.1213(3) 0.41921(18) 0.9188(2) 0.0692(6) Uani 1 1 d . . . . .
C35 C 0.1717(9) 0.5191(6) 0.8237(5) 0.0479(17) Uani 1 1 d . . . . .
H35A H 0.269381 0.537758 0.833407 0.057 Uiso 1 1 calc R U . . .
H35B H 0.177157 0.496353 0.762297 0.057 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 O1 2.115(4) . ?
Pt1 O2 2.006(4) . ?
Pt1 N1 2.044(4) . ?
Pt1 C16 1.969(5) . ?
Pt2 O3 2.104(4) . ?
Pt2 O4 2.011(4) . ?
Pt2 N2 2.030(4) . ?
Pt2 C23 1.957(5) . ?
O1 C4 1.266(8) . ?
O2 C2 1.290(8) . ?
O3 C11 1.271(7) . ?
O4 C13 1.275(8) . ?
N1 C6 1.357(7) . ?
N1 C9 1.373(6) . ?
N2 C8 1.347(7) . ?
N2 C9 1.368(6) . ?
N3 C9 1.356(6) . ?
N3 C15 1.440(7) . ?
N3 C22 1.428(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.520(9) . ?
C2 C3 1.384(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.407(10) . ?
C4 C5 1.501(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C7 1.358(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.364(9) . ?
C8 H8 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C11 1.520(9) . ?
C11 C12 1.406(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(10) . ?
C13 C14 1.500(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.380(7) . ?
C15 C20 1.396(7) . ?
C16 C17 1.401(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.400(8) . ?
C18 C19 1.395(8) . ?
C18 C27 1.539(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.391(7) . ?
C20 C21 1.451(7) . ?
C21 C22 1.408(7) . ?
C21 C26 1.388(7) . ?
C22 C23 1.394(7) . ?
C23 C24 1.410(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.403(8) . ?
C25 C26 1.391(8) . ?
C25 C31 1.544(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.556(10) . ?
C27 C29 1.513(10) . ?
C27 C30 1.524(9) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.506(12) . ?
C31 C33 1.531(10) . ?
C31 C34 1.530(10) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
Cl1 C35 1.757(8) . ?
Cl2 C35 1.775(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?

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
O2 Pt1 O1 88.78(16) . . ?
O2 Pt1 N1 177.13(17) . . ?
N1 Pt1 O1 91.48(17) . . ?
C16 Pt1 O1 177.33(18) . . ?
C16 Pt1 O2 88.71(19) . . ?
C16 Pt1 N1 90.98(19) . . ?
O4 Pt2 O3 89.75(18) . . ?
O4 Pt2 N2 178.54(18) . . ?
N2 Pt2 O3 89.22(17) . . ?
C23 Pt2 O3 177.3(2) . . ?
C23 Pt2 O4 89.8(2) . . ?
C23 Pt2 N2 91.2(2) . . ?
C4 O1 Pt1 125.1(4) . . ?
C2 O2 Pt1 126.8(4) . . ?
C11 O3 Pt2 124.3(4) . . ?
C13 O4 Pt2 124.8(5) . . ?
C6 N1 Pt1 111.3(4) . . ?
C6 N1 C9 118.2(5) . . ?
C9 N1 Pt1 130.4(3) . . ?
C8 N2 Pt2 112.0(4) . . ?
C8 N2 C9 118.6(5) . . ?
C9 N2 Pt2 129.2(3) . . ?
C9 N3 C15 126.6(4) . . ?
C9 N3 C22 126.5(4) . . ?
C22 N3 C15 106.9(4) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O2 C2 C1 113.3(6) . . ?
O2 C2 C3 126.7(6) . . ?
C3 C2 C1 120.0(6) . . ?
C2 C3 H3 117.1 . . ?
C2 C3 C4 125.7(6) . . ?
C4 C3 H3 117.1 . . ?
O1 C4 C3 125.3(6) . . ?
O1 C4 C5 116.2(6) . . ?
C3 C4 C5 118.5(6) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 H6 119.3 . . ?
N1 C6 C7 121.3(5) . . ?
C7 C6 H6 119.3 . . ?
C6 C7 H7 120.5 . . ?
C6 C7 C8 118.9(5) . . ?
C8 C7 H7 120.5 . . ?
N2 C8 C7 121.2(6) . . ?
N2 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
N2 C9 N1 121.1(4) . . ?
N3 C9 N1 119.5(4) . . ?
N3 C9 N2 119.5(4) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
O3 C11 C10 114.6(6) . . ?
O3 C11 C12 125.5(6) . . ?
C12 C11 C10 119.9(6) . . ?
C11 C12 H12 117.6 . . ?
C13 C12 C11 124.9(6) . . ?
C13 C12 H12 117.6 . . ?
O4 C13 C12 128.7(7) . . ?
O4 C13 C14 113.6(7) . . ?
C12 C13 C14 117.8(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 N3 129.1(5) . . ?
C16 C15 C20 122.5(5) . . ?
C20 C15 N3 108.5(5) . . ?
C15 C16 Pt1 121.9(4) . . ?
C15 C16 C17 115.3(5) . . ?
C17 C16 Pt1 122.6(4) . . ?
C16 C17 H17 118.0 . . ?
C18 C17 C16 123.9(5) . . ?
C18 C17 H17 118.0 . . ?
C17 C18 C27 120.2(5) . . ?
C19 C18 C17 118.3(5) . . ?
C19 C18 C27 121.4(5) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 119.0(5) . . ?
C20 C19 H19 120.5 . . ?
C15 C20 C21 108.4(5) . . ?
C19 C20 C15 120.5(5) . . ?
C19 C20 C21 131.0(5) . . ?
C22 C21 C20 107.0(5) . . ?
C26 C21 C20 132.2(5) . . ?
C26 C21 C22 120.9(5) . . ?
C21 C22 N3 109.1(5) . . ?
C23 C22 N3 128.9(5) . . ?
C23 C22 C21 122.0(5) . . ?
C22 C23 Pt2 121.1(4) . . ?
C22 C23 C24 114.9(5) . . ?
C24 C23 Pt2 123.7(4) . . ?
C23 C24 H24 117.9 . . ?
C25 C24 C23 124.2(5) . . ?
C25 C24 H24 117.9 . . ?
C24 C25 C31 120.7(5) . . ?
C26 C25 C24 118.6(5) . . ?
C26 C25 C31 120.6(5) . . ?
C21 C26 C25 119.1(5) . . ?
C21 C26 H26 120.4 . . ?
C25 C26 H26 120.4 . . ?
C18 C27 C28 107.0(5) . . ?
C29 C27 C18 111.1(5) . . ?
C29 C27 C28 109.1(7) . . ?
C29 C27 C30 109.5(6) . . ?
C30 C27 C18 112.5(5) . . ?
C30 C27 C28 107.5(6) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C25 108.6(6) . . ?
C32 C31 C33 107.7(6) . . ?
C32 C31 C34 111.0(8) . . ?
C33 C31 C25 111.7(5) . . ?
C34 C31 C25 111.1(5) . . ?
C34 C31 C33 106.7(7) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Cl1 C35 Cl2 111.3(4) . . ?
Cl1 C35 H35A 109.4 . . ?
Cl1 C35 H35B 109.4 . . ?
Cl2 C35 H35A 109.4 . . ?
Cl2 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?

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 O1 C4 C3 11.0(9) . . . . ?
Pt1 O1 C4 C5 -171.4(4) . . . . ?
Pt1 O2 C2 C1 -178.4(4) . . . . ?
Pt1 O2 C2 C3 0.8(10) . . . . ?
Pt1 N1 C6 C7 172.2(5) . . . . ?
Pt1 N1 C9 N2 -177.2(4) . . . . ?
Pt1 N1 C9 N3 3.5(7) . . . . ?
Pt1 C16 C17 C18 -174.0(4) . . . . ?
Pt2 O3 C11 C10 -171.2(4) . . . . ?
Pt2 O3 C11 C12 11.0(9) . . . . ?
Pt2 O4 C13 C12 -1.0(10) . . . . ?
Pt2 O4 C13 C14 177.4(4) . . . . ?
Pt2 N2 C8 C7 167.0(5) . . . . ?
Pt2 N2 C9 N1 -167.4(4) . . . . ?
Pt2 N2 C9 N3 11.9(7) . . . . ?
Pt2 C23 C24 C25 -171.7(4) . . . . ?
O2 C2 C3 C4 -8.5(11) . . . . ?
O3 C11 C12 C13 2.8(11) . . . . ?
N1 C6 C7 C8 3.8(10) . . . . ?
N3 C15 C16 Pt1 -11.8(8) . . . . ?
N3 C15 C16 C17 171.9(5) . . . . ?
N3 C15 C20 C19 -173.0(5) . . . . ?
N3 C15 C20 C21 3.1(6) . . . . ?
N3 C22 C23 Pt2 -8.4(8) . . . . ?
N3 C22 C23 C24 178.1(5) . . . . ?
C1 C2 C3 C4 170.7(7) . . . . ?
C2 C3 C4 O1 1.6(11) . . . . ?
C2 C3 C4 C5 -176.0(7) . . . . ?
C6 N1 C9 N2 -0.8(8) . . . . ?
C6 N1 C9 N3 179.9(5) . . . . ?
C6 C7 C8 N2 3.3(10) . . . . ?
C8 N2 C9 N1 7.5(8) . . . . ?
C8 N2 C9 N3 -173.2(5) . . . . ?
C9 N1 C6 C7 -4.9(9) . . . . ?
C9 N2 C8 C7 -8.7(9) . . . . ?
C9 N3 C15 C16 1.1(9) . . . . ?
C9 N3 C15 C20 -179.5(5) . . . . ?
C9 N3 C22 C21 176.7(5) . . . . ?
C9 N3 C22 C23 -7.2(9) . . . . ?
C10 C11 C12 C13 -174.9(7) . . . . ?
C11 C12 C13 O4 -8.8(12) . . . . ?
C11 C12 C13 C14 172.8(6) . . . . ?
C15 N3 C9 N1 3.5(8) . . . . ?
C15 N3 C9 N2 -175.8(5) . . . . ?
C15 N3 C22 C21 -2.3(6) . . . . ?
C15 N3 C22 C23 173.8(5) . . . . ?
C15 C16 C17 C18 2.3(8) . . . . ?
C15 C20 C21 C22 -4.5(6) . . . . ?
C15 C20 C21 C26 176.9(6) . . . . ?
C16 C15 C20 C19 6.3(8) . . . . ?
C16 C15 C20 C21 -177.5(5) . . . . ?
C16 C17 C18 C19 3.8(8) . . . . ?
C16 C17 C18 C27 -174.3(5) . . . . ?
C17 C18 C19 C20 -4.9(8) . . . . ?
C17 C18 C27 C28 76.2(7) . . . . ?
C17 C18 C27 C29 -42.8(9) . . . . ?
C17 C18 C27 C30 -166.0(6) . . . . ?
C18 C19 C20 C15 0.2(8) . . . . ?
C18 C19 C20 C21 -174.9(5) . . . . ?
C19 C18 C27 C28 -101.7(6) . . . . ?
C19 C18 C27 C29 139.2(7) . . . . ?
C19 C18 C27 C30 16.1(8) . . . . ?
C19 C20 C21 C22 171.1(6) . . . . ?
C19 C20 C21 C26 -7.6(10) . . . . ?
C20 C15 C16 Pt1 169.0(4) . . . . ?
C20 C15 C16 C17 -7.4(8) . . . . ?
C20 C21 C22 N3 4.1(6) . . . . ?
C20 C21 C22 C23 -172.3(5) . . . . ?
C20 C21 C26 C25 177.0(6) . . . . ?
C21 C22 C23 Pt2 167.2(4) . . . . ?
C21 C22 C23 C24 -6.3(8) . . . . ?
C22 N3 C9 N1 -175.3(5) . . . . ?
C22 N3 C9 N2 5.4(8) . . . . ?
C22 N3 C15 C16 -179.9(5) . . . . ?
C22 N3 C15 C20 -0.6(6) . . . . ?
C22 C21 C26 C25 -1.5(8) . . . . ?
C22 C23 C24 C25 1.6(8) . . . . ?
C23 C24 C25 C26 3.1(9) . . . . ?
C23 C24 C25 C31 -174.2(5) . . . . ?
C24 C25 C26 C21 -3.1(8) . . . . ?
C24 C25 C31 C32 88.5(8) . . . . ?
C24 C25 C31 C33 -30.1(8) . . . . ?
C24 C25 C31 C34 -149.1(8) . . . . ?
C26 C21 C22 N3 -177.0(5) . . . . ?
C26 C21 C22 C23 6.6(8) . . . . ?
C26 C25 C31 C32 -88.7(8) . . . . ?
C26 C25 C31 C33 152.6(6) . . . . ?
C26 C25 C31 C34 33.6(10) . . . . ?
C27 C18 C19 C20 173.1(5) . . . . ?
C31 C25 C26 C21 174.2(5) . . . . ?

_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_mo_20220621_zh_gxmz_hb46d1_y_0
_database_code_depnum_ccdc_archive 'CCDC 2254329'
loop_
_audit_author_name
_audit_author_address
'Haibo Yao'
;Guangxi minzu university
China
;
_audit_update_record             
;
2023-04-06 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2023-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H41 N3 O2 Pt'
_chemical_formula_sum            'C47 H41 N3 O2 Pt'
_chemical_formula_weight         874.92
_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'
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                   8.8879(3)
_cell_length_b                   13.4942(4)
_cell_length_c                   17.3437(4)
_cell_angle_alpha                70.4380(10)
_cell_angle_beta                 81.6770(10)
_cell_angle_gamma                85.4040(10)
_cell_volume                     1938.29(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9382
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.668
_shelx_estimated_absorpt_T_min   0.610
_exptl_absorpt_coefficient_mu    3.662
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0897 before and 0.0652 after correction.
The Ratio of minimum to maximum transmission is 0.8510.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53466
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.503
_diffrn_reflns_theta_min         2.317
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8203
_reflns_number_total             8875
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         8875
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0223
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²+0.5008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0540
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12), C15(H15),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C25(H25), C27(H27),
  C35(H35), C36(H36), C37(H37), C39(H39), C40(H40), C42(H42)
1.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C45(H45A,H45B,
 H45C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.27622(2) 0.48407(2) 0.44259(2) 0.02043(4) Uani 1 1 d . . . . .
O1 O 0.4105(2) 0.60671(14) 0.40880(11) 0.0266(4) Uani 1 1 d . . . . .
O2 O 0.2149(2) 0.50296(14) 0.55828(10) 0.0268(4) Uani 1 1 d . . . . .
N1 N 0.1442(2) 0.35728(17) 0.47654(12) 0.0227(4) Uani 1 1 d . . . . .
N2 N 0.2601(2) 0.28155(17) 0.37635(12) 0.0244(5) Uani 1 1 d . . . . .
N3 N 0.0678(3) 0.19376(18) 0.47203(14) 0.0306(5) Uani 1 1 d . . . . .
C1 C 0.4370(3) 0.6605(2) 0.45429(15) 0.0235(5) Uani 1 1 d . . . . .
C2 C 0.5510(3) 0.7426(2) 0.41104(16) 0.0273(6) Uani 1 1 d . . . . .
C3 C 0.6552(3) 0.7279(2) 0.34502(16) 0.0308(6) Uani 1 1 d . . . . .
H3 H 0.650017 0.666858 0.329972 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7628(3) 0.8004(3) 0.30280(18) 0.0365(7) Uani 1 1 d . . . . .
H4 H 0.830727 0.788942 0.258771 0.044 Uiso 1 1 calc R U . . .
C5 C 0.7744(3) 0.8918(2) 0.32358(19) 0.0375(7) Uani 1 1 d . . . . .
C6 C 0.8872(4) 0.9675(3) 0.2812(2) 0.0475(8) Uani 1 1 d . . . . .
H6 H 0.955664 0.957911 0.236688 0.057 Uiso 1 1 calc R U . . .
C7 C 0.8971(4) 1.0535(3) 0.3044(3) 0.0587(11) Uani 1 1 d . . . . .
H7 H 0.973462 1.103050 0.276412 0.070 Uiso 1 1 calc R U . . .
C8 C 0.7961(5) 1.0694(3) 0.3689(3) 0.0565(10) Uani 1 1 d . . . . .
H8 H 0.804575 1.129369 0.384753 0.068 Uiso 1 1 calc R U . . .
C9 C 0.6843(4) 0.9991(3) 0.4096(2) 0.0499(9) Uani 1 1 d . . . . .
H9 H 0.615214 1.011854 0.452708 0.060 Uiso 1 1 calc R U . . .
C10 C 0.6706(4) 0.9082(2) 0.38839(19) 0.0376(7) Uani 1 1 d . . . . .
C11 C 0.5601(3) 0.8321(2) 0.43184(17) 0.0330(6) Uani 1 1 d . . . . .
H11 H 0.491291 0.842887 0.475865 0.040 Uiso 1 1 calc R U . . .
C12 C 0.3705(3) 0.6482(2) 0.53407(16) 0.0263(5) Uani 1 1 d . . . . .
H12 H 0.401035 0.694583 0.559290 0.032 Uiso 1 1 calc R U . . .
C13 C 0.2632(3) 0.5745(2) 0.58124(15) 0.0234(5) Uani 1 1 d . . . . .
C14 C 0.1916(3) 0.5777(2) 0.66394(16) 0.0259(5) Uani 1 1 d . . . . .
C15 C 0.2440(3) 0.6370(2) 0.70438(16) 0.0286(6) Uani 1 1 d . . . . .
H15 H 0.333178 0.675969 0.680366 0.034 Uiso 1 1 calc R U . . .
C16 C 0.1694(3) 0.6420(2) 0.78052(16) 0.0290(6) Uani 1 1 d . . . . .
C17 C 0.2210(4) 0.7058(3) 0.82130(18) 0.0374(7) Uani 1 1 d . . . . .
H17 H 0.309531 0.745549 0.797477 0.045 Uiso 1 1 calc R U . . .
C18 C 0.1455(4) 0.7108(3) 0.89393(19) 0.0462(8) Uani 1 1 d . . . . .
H18 H 0.182212 0.753286 0.920655 0.055 Uiso 1 1 calc R U . . .
C19 C 0.0135(4) 0.6536(3) 0.9297(2) 0.0494(9) Uani 1 1 d . . . . .
H19 H -0.038873 0.657902 0.980350 0.059 Uiso 1 1 calc R U . . .
C20 C -0.0400(4) 0.5916(3) 0.89206(19) 0.0451(8) Uani 1 1 d . . . . .
H20 H -0.129542 0.553259 0.916709 0.054 Uiso 1 1 calc R U . . .
C21 C 0.0365(3) 0.5840(2) 0.81697(17) 0.0327(6) Uani 1 1 d . . . . .
C22 C -0.0153(3) 0.5210(3) 0.77571(17) 0.0361(7) Uani 1 1 d . . . . .
H22 H -0.103109 0.480458 0.799716 0.043 Uiso 1 1 calc R U . . .
C23 C 0.0594(3) 0.5177(2) 0.70183(17) 0.0328(6) Uani 1 1 d . . . . .
H23 H 0.022809 0.474920 0.675318 0.039 Uiso 1 1 calc R U . . .
C24 C 0.3355(3) 0.4709(2) 0.33294(15) 0.0231(5) Uani 1 1 d . . . . .
C25 C 0.4007(3) 0.5507(2) 0.26325(15) 0.0247(5) Uani 1 1 d . . . . .
H25 H 0.409338 0.618018 0.268192 0.030 Uiso 1 1 calc R U . . .
C26 C 0.4539(3) 0.5374(2) 0.18675(15) 0.0266(5) Uani 1 1 d . . . . .
C27 C 0.4422(3) 0.4403(2) 0.17766(16) 0.0278(6) Uani 1 1 d . . . . .
H27 H 0.478375 0.429275 0.126781 0.033 Uiso 1 1 calc R U . . .
C28 C 0.3764(3) 0.3589(2) 0.24470(15) 0.0255(5) Uani 1 1 d . . . . .
C29 C 0.3240(3) 0.3756(2) 0.31905(15) 0.0229(5) Uani 1 1 d . . . . .
C30 C 0.5201(3) 0.6312(2) 0.11463(16) 0.0308(6) Uani 1 1 d . . . . .
C31 C 0.6023(5) 0.5971(3) 0.0431(2) 0.0576(11) Uani 1 1 d . . . . .
H31A H 0.680964 0.543194 0.063423 0.086 Uiso 1 1 calc R U . . .
H31B H 0.649519 0.658061 0.000345 0.086 Uiso 1 1 calc R U . . .
H31C H 0.528877 0.568243 0.019950 0.086 Uiso 1 1 calc R U . . .
C32 C 0.3896(4) 0.7087(3) 0.0832(2) 0.0522(9) Uani 1 1 d . . . . .
H32A H 0.323672 0.676614 0.058128 0.078 Uiso 1 1 calc R U . . .
H32B H 0.431294 0.772963 0.041917 0.078 Uiso 1 1 calc R U . . .
H32C H 0.330287 0.726235 0.129393 0.078 Uiso 1 1 calc R U . . .
C33 C 0.6350(4) 0.6870(3) 0.14218(19) 0.0429(8) Uani 1 1 d . . . . .
H33A H 0.583850 0.714584 0.185109 0.064 Uiso 1 1 calc R U . . .
H33B H 0.677911 0.745182 0.094905 0.064 Uiso 1 1 calc R U . . .
H33C H 0.716928 0.636931 0.164153 0.064 Uiso 1 1 calc R U . . .
C34 C 0.1550(3) 0.2780(2) 0.44372(15) 0.0235(5) Uani 1 1 d . . . . .
C35 C 0.0337(3) 0.3484(2) 0.54110(15) 0.0252(5) Uani 1 1 d . . . . .
H35 H 0.020852 0.402464 0.565416 0.030 Uiso 1 1 calc R U . . .
C36 C -0.0601(3) 0.2644(2) 0.57267(16) 0.0287(6) Uani 1 1 d . . . . .
H36 H -0.136933 0.259508 0.617852 0.034 Uiso 1 1 calc R U . . .
C37 C -0.0378(3) 0.1877(2) 0.53591(17) 0.0325(6) Uani 1 1 d . . . . .
H37 H -0.100177 0.128136 0.556959 0.039 Uiso 1 1 calc R U . . .
C38 C 0.2819(3) 0.2029(2) 0.33710(15) 0.0256(5) Uani 1 1 d . . . . .
C39 C 0.2540(3) 0.0965(2) 0.36685(17) 0.0310(6) Uani 1 1 d . . . . .
H39 H 0.209137 0.064022 0.421990 0.037 Uiso 1 1 calc R U . . .
C40 C 0.2935(3) 0.0385(2) 0.31359(17) 0.0304(6) Uani 1 1 d . . . . .
H40 H 0.276552 -0.034860 0.333830 0.036 Uiso 1 1 calc R U . . .
C41 C 0.3573(3) 0.0836(2) 0.23137(16) 0.0262(5) Uani 1 1 d . . . . .
C42 C 0.3875(3) 0.1905(2) 0.20369(16) 0.0281(6) Uani 1 1 d . . . . .
H42 H 0.433150 0.222932 0.148692 0.034 Uiso 1 1 calc R U . . .
C43 C 0.3515(3) 0.2498(2) 0.25567(15) 0.0249(5) Uani 1 1 d . . . . .
C44 C 0.3925(3) 0.0205(2) 0.17194(17) 0.0317(6) Uani 1 1 d . . . . .
C45 C 0.3566(5) -0.0964(2) 0.2141(2) 0.0488(9) Uani 1 1 d . . . . .
H45A H 0.247475 -0.102942 0.233337 0.073 Uiso 1 1 calc R U . . .
H45B H 0.414203 -0.126235 0.261291 0.073 Uiso 1 1 calc R U . . .
H45C H 0.385321 -0.134422 0.174696 0.073 Uiso 1 1 calc R U . . .
C46 C 0.2953(4) 0.0664(3) 0.1013(2) 0.0435(8) Uani 1 1 d . . . . .
H46A H 0.314773 0.025432 0.063452 0.065 Uiso 1 1 calc R U . . .
H46B H 0.321570 0.139743 0.071369 0.065 Uiso 1 1 calc R U . . .
H46C H 0.187432 0.063524 0.123699 0.065 Uiso 1 1 calc R U . . .
C47 C 0.5611(4) 0.0275(3) 0.1364(2) 0.0448(8) Uani 1 1 d . . . . .
H47A H 0.623991 0.002038 0.181617 0.067 Uiso 1 1 calc R U . . .
H47B H 0.584037 0.100807 0.104446 0.067 Uiso 1 1 calc R U . . .
H47C H 0.583102 -0.015936 0.100495 0.067 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 O1 1.9925(18) . ?
Pt1 O2 2.0955(16) . ?
Pt1 N1 2.024(2) . ?
Pt1 C24 1.961(2) . ?
O1 C1 1.292(3) . ?
O2 C13 1.283(3) . ?
N1 C34 1.361(3) . ?
N1 C35 1.357(3) . ?
N2 C29 1.424(3) . ?
N2 C34 1.376(3) . ?
N2 C38 1.428(3) . ?
N3 C34 1.339(3) . ?
N3 C37 1.329(3) . ?
C1 C2 1.490(4) . ?
C1 C12 1.384(3) . ?
C2 C3 1.422(4) . ?
C2 C11 1.383(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.410(5) . ?
C5 C6 1.428(4) . ?
C5 C10 1.414(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.362(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.393(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.372(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.412(5) . ?
C10 C11 1.420(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.397(4) . ?
C13 C14 1.495(3) . ?
C14 C15 1.372(4) . ?
C14 C23 1.428(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.409(4) . ?
C16 C17 1.421(4) . ?
C16 C21 1.417(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.359(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.404(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.369(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.411(4) . ?
C21 C22 1.419(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.368(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.408(3) . ?
C24 C29 1.399(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.408(3) . ?
C26 C27 1.384(4) . ?
C26 C30 1.536(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.397(4) . ?
C28 C29 1.391(3) . ?
C28 C43 1.451(4) . ?
C30 C31 1.532(4) . ?
C30 C32 1.531(5) . ?
C30 C33 1.532(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C36 1.372(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.375(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.383(4) . ?
C38 C43 1.410(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.391(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.402(4) . ?
C41 C42 1.395(4) . ?
C41 C44 1.529(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.383(4) . ?
C44 C45 1.537(4) . ?
C44 C46 1.532(4) . ?
C44 C47 1.533(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 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
O1 Pt1 O2 89.96(7) . . ?
O1 Pt1 N1 178.65(8) . . ?
N1 Pt1 O2 90.69(7) . . ?
C24 Pt1 O1 88.40(9) . . ?
C24 Pt1 O2 178.25(9) . . ?
C24 Pt1 N1 90.96(9) . . ?
C1 O1 Pt1 126.51(16) . . ?
C13 O2 Pt1 125.30(16) . . ?
C34 N1 Pt1 127.82(17) . . ?
C35 N1 Pt1 116.45(17) . . ?
C35 N1 C34 115.7(2) . . ?
C29 N2 C38 107.4(2) . . ?
C34 N2 C29 124.4(2) . . ?
C34 N2 C38 125.0(2) . . ?
C37 N3 C34 117.8(2) . . ?
O1 C1 C2 112.3(2) . . ?
O1 C1 C12 126.6(2) . . ?
C12 C1 C2 121.1(2) . . ?
C3 C2 C1 118.2(2) . . ?
C11 C2 C1 123.2(2) . . ?
C11 C2 C3 118.6(3) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.1(3) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 C10 118.6(3) . . ?
C10 C5 C6 119.4(3) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.3(4) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.4(3) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.0(4) . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C11 119.6(3) . . ?
C9 C10 C5 118.2(3) . . ?
C9 C10 C11 122.1(3) . . ?
C2 C11 C10 121.0(3) . . ?
C2 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C1 C12 H12 116.7 . . ?
C1 C12 C13 126.6(2) . . ?
C13 C12 H12 116.7 . . ?
O2 C13 C12 124.8(2) . . ?
O2 C13 C14 115.1(2) . . ?
C12 C13 C14 120.0(2) . . ?
C15 C14 C13 123.5(2) . . ?
C15 C14 C23 118.3(2) . . ?
C23 C14 C13 118.2(2) . . ?
C14 C15 H15 119.0 . . ?
C14 C15 C16 121.9(3) . . ?
C16 C15 H15 119.0 . . ?
C15 C16 C17 122.0(3) . . ?
C15 C16 C21 119.5(2) . . ?
C21 C16 C17 118.5(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.9(3) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.5(3) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.3(3) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C22 118.3(2) . . ?
C20 C21 C16 119.2(3) . . ?
C20 C21 C22 122.5(3) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.9(3) . . ?
C23 C22 H22 119.6 . . ?
C14 C23 H23 119.5 . . ?
C22 C23 C14 121.1(3) . . ?
C22 C23 H23 119.5 . . ?
C25 C24 Pt1 124.97(19) . . ?
C29 C24 Pt1 121.24(18) . . ?
C29 C24 C25 113.7(2) . . ?
C24 C25 H25 117.9 . . ?
C26 C25 C24 124.3(2) . . ?
C26 C25 H25 117.9 . . ?
C25 C26 C30 119.5(2) . . ?
C27 C26 C25 119.1(2) . . ?
C27 C26 C30 121.4(2) . . ?
C26 C27 H27 120.6 . . ?
C26 C27 C28 118.8(2) . . ?
C28 C27 H27 120.6 . . ?
C27 C28 C43 132.2(2) . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 C43 107.5(2) . . ?
C24 C29 N2 127.0(2) . . ?
C28 C29 N2 109.2(2) . . ?
C28 C29 C24 123.8(2) . . ?
C31 C30 C26 112.0(2) . . ?
C32 C30 C26 108.6(2) . . ?
C32 C30 C31 108.6(3) . . ?
C32 C30 C33 109.2(3) . . ?
C33 C30 C26 110.9(2) . . ?
C33 C30 C31 107.5(3) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C34 N2 120.2(2) . . ?
N3 C34 N1 124.5(2) . . ?
N3 C34 N2 115.4(2) . . ?
N1 C35 H35 118.7 . . ?
N1 C35 C36 122.7(2) . . ?
C36 C35 H35 118.7 . . ?
C35 C36 H36 121.5 . . ?
C35 C36 C37 116.9(2) . . ?
C37 C36 H36 121.5 . . ?
N3 C37 C36 122.4(3) . . ?
N3 C37 H37 118.8 . . ?
C36 C37 H37 118.8 . . ?
C39 C38 N2 131.4(2) . . ?
C39 C38 C43 120.5(2) . . ?
C43 C38 N2 108.1(2) . . ?
C38 C39 H39 121.0 . . ?
C38 C39 C40 118.0(2) . . ?
C40 C39 H39 121.0 . . ?
C39 C40 H40 118.5 . . ?
C39 C40 C41 122.9(3) . . ?
C41 C40 H40 118.5 . . ?
C40 C41 C44 122.6(2) . . ?
C42 C41 C40 117.8(2) . . ?
C42 C41 C44 119.7(2) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 C41 120.5(2) . . ?
C43 C42 H42 119.7 . . ?
C38 C43 C28 107.7(2) . . ?
C42 C43 C28 132.0(2) . . ?
C42 C43 C38 120.3(2) . . ?
C41 C44 C45 112.2(2) . . ?
C41 C44 C46 108.6(2) . . ?
C41 C44 C47 110.3(2) . . ?
C46 C44 C45 108.4(3) . . ?
C46 C44 C47 109.1(3) . . ?
C47 C44 C45 108.2(3) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 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 O1 C1 C2 176.23(16) . . . . ?
Pt1 O1 C1 C12 -4.4(4) . . . . ?
Pt1 O2 C13 C12 -3.4(4) . . . . ?
Pt1 O2 C13 C14 174.55(16) . . . . ?
Pt1 N1 C34 N2 -3.9(4) . . . . ?
Pt1 N1 C34 N3 176.7(2) . . . . ?
Pt1 N1 C35 C36 -177.4(2) . . . . ?
Pt1 C24 C25 C26 174.6(2) . . . . ?
Pt1 C24 C29 N2 5.3(4) . . . . ?
Pt1 C24 C29 C28 -174.2(2) . . . . ?
O1 C1 C2 C3 -23.7(3) . . . . ?
O1 C1 C2 C11 156.1(3) . . . . ?
O1 C1 C12 C13 0.8(5) . . . . ?
O2 C13 C14 C15 169.6(3) . . . . ?
O2 C13 C14 C23 -12.0(4) . . . . ?
N1 C35 C36 C37 0.1(4) . . . . ?
N2 C38 C39 C40 -177.4(3) . . . . ?
N2 C38 C43 C28 1.2(3) . . . . ?
N2 C38 C43 C42 179.3(2) . . . . ?
C1 C2 C3 C4 -180.0(2) . . . . ?
C1 C2 C11 C10 -179.7(3) . . . . ?
C1 C12 C13 O2 3.4(4) . . . . ?
C1 C12 C13 C14 -174.4(3) . . . . ?
C2 C1 C12 C13 -179.8(3) . . . . ?
C2 C3 C4 C5 0.3(4) . . . . ?
C3 C2 C11 C10 0.1(4) . . . . ?
C3 C4 C5 C6 179.0(3) . . . . ?
C3 C4 C5 C10 -1.0(4) . . . . ?
C4 C5 C6 C7 -178.4(3) . . . . ?
C4 C5 C10 C9 179.1(3) . . . . ?
C4 C5 C10 C11 1.3(4) . . . . ?
C5 C6 C7 C8 -0.9(5) . . . . ?
C5 C10 C11 C2 -0.9(4) . . . . ?
C6 C5 C10 C9 -0.9(4) . . . . ?
C6 C5 C10 C11 -178.7(3) . . . . ?
C6 C7 C8 C9 -0.5(6) . . . . ?
C7 C8 C9 C10 1.2(6) . . . . ?
C8 C9 C10 C5 -0.4(5) . . . . ?
C8 C9 C10 C11 177.3(3) . . . . ?
C9 C10 C11 C2 -178.6(3) . . . . ?
C10 C5 C6 C7 1.6(5) . . . . ?
C11 C2 C3 C4 0.2(4) . . . . ?
C12 C1 C2 C3 156.8(3) . . . . ?
C12 C1 C2 C11 -23.4(4) . . . . ?
C12 C13 C14 C15 -12.3(4) . . . . ?
C12 C13 C14 C23 166.1(3) . . . . ?
C13 C14 C15 C16 177.0(3) . . . . ?
C13 C14 C23 C22 -177.1(3) . . . . ?
C14 C15 C16 C17 -178.1(3) . . . . ?
C14 C15 C16 C21 0.1(4) . . . . ?
C15 C14 C23 C22 1.4(4) . . . . ?
C15 C16 C17 C18 178.7(3) . . . . ?
C15 C16 C21 C20 -178.3(3) . . . . ?
C15 C16 C21 C22 1.2(4) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C16 C21 C22 C23 -1.2(5) . . . . ?
C17 C16 C21 C20 0.1(4) . . . . ?
C17 C16 C21 C22 179.5(3) . . . . ?
C17 C18 C19 C20 0.4(6) . . . . ?
C18 C19 C20 C21 0.1(6) . . . . ?
C19 C20 C21 C16 -0.4(5) . . . . ?
C19 C20 C21 C22 -179.8(3) . . . . ?
C20 C21 C22 C23 178.2(3) . . . . ?
C21 C16 C17 C18 0.4(5) . . . . ?
C21 C22 C23 C14 -0.1(5) . . . . ?
C23 C14 C15 C16 -1.4(4) . . . . ?
C24 C25 C26 C27 0.2(4) . . . . ?
C24 C25 C26 C30 178.8(3) . . . . ?
C25 C24 C29 N2 -178.3(2) . . . . ?
C25 C24 C29 C28 2.2(4) . . . . ?
C25 C26 C27 C28 0.7(4) . . . . ?
C25 C26 C30 C31 167.8(3) . . . . ?
C25 C26 C30 C32 -72.3(3) . . . . ?
C25 C26 C30 C33 47.8(4) . . . . ?
C26 C27 C28 C29 -0.1(4) . . . . ?
C26 C27 C28 C43 -178.2(3) . . . . ?
C27 C26 C30 C31 -13.6(4) . . . . ?
C27 C26 C30 C32 106.3(3) . . . . ?
C27 C26 C30 C33 -133.7(3) . . . . ?
C27 C28 C29 N2 179.0(2) . . . . ?
C27 C28 C29 C24 -1.5(4) . . . . ?
C27 C28 C43 C38 179.0(3) . . . . ?
C27 C28 C43 C42 1.4(5) . . . . ?
C29 N2 C34 N1 -23.2(4) . . . . ?
C29 N2 C34 N3 156.3(2) . . . . ?
C29 N2 C38 C39 173.6(3) . . . . ?
C29 N2 C38 C43 -2.8(3) . . . . ?
C29 C24 C25 C26 -1.6(4) . . . . ?
C29 C28 C43 C38 0.8(3) . . . . ?
C29 C28 C43 C42 -176.9(3) . . . . ?
C30 C26 C27 C28 -177.9(3) . . . . ?
C34 N1 C35 C36 1.0(4) . . . . ?
C34 N2 C29 C24 23.2(4) . . . . ?
C34 N2 C29 C28 -157.2(2) . . . . ?
C34 N2 C38 C39 -26.0(5) . . . . ?
C34 N2 C38 C43 157.6(2) . . . . ?
C34 N3 C37 C36 0.4(4) . . . . ?
C35 N1 C34 N2 177.9(2) . . . . ?
C35 N1 C34 N3 -1.5(4) . . . . ?
C35 C36 C37 N3 -0.9(4) . . . . ?
C37 N3 C34 N1 0.9(4) . . . . ?
C37 N3 C34 N2 -178.6(2) . . . . ?
C38 N2 C29 C24 -176.3(3) . . . . ?
C38 N2 C29 C28 3.3(3) . . . . ?
C38 N2 C34 N1 179.7(2) . . . . ?
C38 N2 C34 N3 -0.8(4) . . . . ?
C38 C39 C40 C41 -1.2(4) . . . . ?
C39 C38 C43 C28 -175.6(3) . . . . ?
C39 C38 C43 C42 2.4(4) . . . . ?
C39 C40 C41 C42 2.7(4) . . . . ?
C39 C40 C41 C44 -176.6(3) . . . . ?
C40 C41 C42 C43 -1.6(4) . . . . ?
C40 C41 C44 C45 -2.6(4) . . . . ?
C40 C41 C44 C46 117.2(3) . . . . ?
C40 C41 C44 C47 -123.2(3) . . . . ?
C41 C42 C43 C28 176.6(3) . . . . ?
C41 C42 C43 C38 -0.9(4) . . . . ?
C42 C41 C44 C45 178.2(3) . . . . ?
C42 C41 C44 C46 -62.1(3) . . . . ?
C42 C41 C44 C47 57.5(3) . . . . ?
C43 C28 C29 N2 -2.5(3) . . . . ?
C43 C28 C29 C24 177.1(2) . . . . ?
C43 C38 C39 C40 -1.4(4) . . . . ?
C44 C41 C42 C43 177.7(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 221.4 27.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_mo_20220620_zh_gxmz_hb46d1_r_0m
_database_code_depnum_ccdc_archive 'CCDC 2243261'
loop_
_audit_author_name
_audit_author_address
'Haibo Yao'
;Guangxi minzu university
China
;
_audit_update_record             
;
2023-02-20 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H41 N3 O2 Pt, C H2 Cl2'
_chemical_formula_sum            'C48 H43 Cl2 N3 O2 Pt'
_chemical_formula_weight         959.84
_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'
Cl Cl 0.1484 0.1585 '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                   9.3998(4)
_cell_length_b                   12.9805(4)
_cell_length_c                   17.8206(7)
_cell_angle_alpha                78.1270(10)
_cell_angle_beta                 86.035(2)
_cell_angle_gamma                76.5340(10)
_cell_volume                     2068.83(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9842
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.443
_cell_measurement_theta_min      2.228
_shelx_estimated_absorpt_T_max   0.617
_shelx_estimated_absorpt_T_min   0.566
_exptl_absorpt_coefficient_mu    3.563
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.3370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0778 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.7828.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            69681
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.538
_diffrn_reflns_theta_min         2.196
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8968
_reflns_number_total             9480
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.859
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         9480
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0186
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0206P)²+0.9527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0463
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C48(H48A,H48B)
1.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C7(H7), C9(H9), C17(H17), C18(H18), C20(H20),
 C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C35(H35), C36(H36),
  C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47)
1.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_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 0.35417(2) 0.51772(2) 0.55989(2) 0.02312(3) Uani 1 1 d . . . . .
O1 O 0.30872(16) 0.66638(12) 0.48254(8) 0.0288(3) Uani 1 1 d . . . . .
O2 O 0.23562(16) 0.45874(12) 0.49745(8) 0.0294(3) Uani 1 1 d . . . . .
N1 N 0.46976(18) 0.57884(13) 0.62446(10) 0.0246(3) Uani 1 1 d . . . . .
N2 N 0.48094(19) 0.44645(13) 0.73891(10) 0.0254(3) Uani 1 1 d . . . . .
N3 N 0.5702(2) 0.59599(15) 0.73936(11) 0.0333(4) Uani 1 1 d . . . . .
C1 C 0.5091(2) 0.67173(17) 0.58947(12) 0.0289(4) Uani 1 1 d . . . . .
H1 H 0.489888 0.697951 0.536495 0.035 Uiso 1 1 calc R U . . .
C2 C 0.5751(3) 0.72913(18) 0.62708(13) 0.0327(5) Uani 1 1 d . . . . .
H2 H 0.601172 0.794183 0.601610 0.039 Uiso 1 1 calc R U . . .
C3 C 0.6020(3) 0.68811(19) 0.70373(13) 0.0356(5) Uani 1 1 d . . . . .
H3 H 0.644780 0.727336 0.731939 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5068(2) 0.54280(16) 0.69957(11) 0.0249(4) Uani 1 1 d . . . . .
C5 C 0.4356(2) 0.36802(15) 0.70685(11) 0.0229(4) Uani 1 1 d . . . . .
C6 C 0.4467(2) 0.27355(16) 0.76242(11) 0.0242(4) Uani 1 1 d . . . . .
C7 C 0.4142(2) 0.18169(16) 0.74507(11) 0.0249(4) Uani 1 1 d . . . . .
H7 H 0.423806 0.116972 0.782566 0.030 Uiso 1 1 calc R U . . .
C8 C 0.3676(2) 0.18677(16) 0.67176(11) 0.0242(4) Uani 1 1 d . . . . .
C9 C 0.3536(2) 0.28456(16) 0.61850(11) 0.0247(4) Uani 1 1 d . . . . .
H9 H 0.319913 0.287148 0.568943 0.030 Uiso 1 1 calc R U . . .
C10 C 0.3858(2) 0.37896(16) 0.63329(11) 0.0240(4) Uani 1 1 d . . . . .
C11 C 0.3225(2) 0.09024(16) 0.65002(12) 0.0266(4) Uani 1 1 d . . . . .
C12 C 0.3881(3) -0.01559(18) 0.70364(15) 0.0431(6) Uani 1 1 d . . . . .
H12A H 0.348087 -0.013434 0.755701 0.065 Uiso 1 1 calc R U . . .
H12B H 0.494675 -0.025484 0.703812 0.065 Uiso 1 1 calc R U . . .
H12C H 0.363686 -0.075845 0.685862 0.065 Uiso 1 1 calc R U . . .
C13 C 0.1553(3) 0.1100(2) 0.65545(18) 0.0463(6) Uani 1 1 d . . . . .
H13A H 0.124127 0.050128 0.640709 0.069 Uiso 1 1 calc R U . . .
H13B H 0.112651 0.177727 0.620863 0.069 Uiso 1 1 calc R U . . .
H13C H 0.122296 0.114856 0.708241 0.069 Uiso 1 1 calc R U . . .
C14 C 0.3734(3) 0.0784(2) 0.56801(14) 0.0439(6) Uani 1 1 d . . . . .
H14A H 0.479008 0.073821 0.562571 0.066 Uiso 1 1 calc R U . . .
H14B H 0.321911 0.141144 0.531660 0.066 Uiso 1 1 calc R U . . .
H14C H 0.351764 0.012521 0.557384 0.066 Uiso 1 1 calc R U . . .
C15 C 0.4947(2) 0.29407(16) 0.83215(11) 0.0248(4) Uani 1 1 d . . . . .
C16 C 0.5157(2) 0.39973(16) 0.81714(11) 0.0262(4) Uani 1 1 d . . . . .
C17 C 0.5608(2) 0.44114(17) 0.87580(12) 0.0313(4) Uani 1 1 d . . . . .
H17 H 0.574806 0.512865 0.866848 0.038 Uiso 1 1 calc R U . . .
C18 C 0.5845(3) 0.37408(17) 0.94756(12) 0.0315(4) Uani 1 1 d . . . . .
H18 H 0.615290 0.401687 0.987574 0.038 Uiso 1 1 calc R U . . .
C19 C 0.5652(2) 0.26768(17) 0.96383(12) 0.0285(4) Uani 1 1 d . . . . .
C20 C 0.5196(2) 0.22843(16) 0.90502(12) 0.0276(4) Uani 1 1 d . . . . .
H20 H 0.505225 0.156799 0.914227 0.033 Uiso 1 1 calc R U . . .
C21 C 0.5995(3) 0.19788(17) 1.04388(12) 0.0316(5) Uani 1 1 d . . . . .
C22 C 0.5525(3) 0.0907(2) 1.05332(14) 0.0463(6) Uani 1 1 d . . . . .
H22A H 0.447594 0.104952 1.043735 0.069 Uiso 1 1 calc R U . . .
H22B H 0.572008 0.049733 1.105640 0.069 Uiso 1 1 calc R U . . .
H22C H 0.607637 0.048837 1.016623 0.069 Uiso 1 1 calc R U . . .
C23 C 0.7656(3) 0.1739(2) 1.05564(16) 0.0483(6) Uani 1 1 d . . . . .
H23A H 0.817053 0.134940 1.016499 0.072 Uiso 1 1 calc R U . . .
H23B H 0.788714 0.129430 1.106679 0.072 Uiso 1 1 calc R U . . .
H23C H 0.796635 0.241920 1.051220 0.072 Uiso 1 1 calc R U . . .
C24 C 0.5176(3) 0.2573(2) 1.10574(14) 0.0451(6) Uani 1 1 d . . . . .
H24A H 0.553541 0.322685 1.104809 0.068 Uiso 1 1 calc R U . . .
H24B H 0.534555 0.209941 1.156256 0.068 Uiso 1 1 calc R U . . .
H24C H 0.412617 0.277315 1.095641 0.068 Uiso 1 1 calc R U . . .
C25 C 0.2434(2) 0.68366(17) 0.41929(12) 0.0270(4) Uani 1 1 d . . . . .
C26 C 0.2286(2) 0.79484(17) 0.37250(13) 0.0285(4) Uani 1 1 d . . . . .
C27 C 0.2272(2) 0.88142(18) 0.41014(14) 0.0344(5) Uani 1 1 d . . . . .
H27 H 0.240127 0.867215 0.463993 0.041 Uiso 1 1 calc R U . . .
C28 C 0.2076(3) 0.98501(19) 0.36960(16) 0.0395(5) Uani 1 1 d . . . . .
H28 H 0.205002 1.042147 0.395859 0.047 Uiso 1 1 calc R U . . .
C29 C 0.1911(2) 1.00858(18) 0.28900(15) 0.0368(5) Uani 1 1 d . . . . .
C30 C 0.1701(3) 1.1154(2) 0.24487(18) 0.0496(7) Uani 1 1 d . . . . .
H30 H 0.167008 1.174233 0.269515 0.060 Uiso 1 1 calc R U . . .
C31 C 0.1543(3) 1.1339(2) 0.16741(19) 0.0586(8) Uani 1 1 d . . . . .
H31 H 0.139698 1.205605 0.138657 0.070 Uiso 1 1 calc R U . . .
C32 C 0.1592(3) 1.0495(3) 0.13013(18) 0.0582(8) Uani 1 1 d . . . . .
H32 H 0.147840 1.064153 0.076147 0.070 Uiso 1 1 calc R U . . .
C33 C 0.1802(3) 0.9448(2) 0.16993(15) 0.0465(6) Uani 1 1 d . . . . .
H33 H 0.183774 0.887595 0.143611 0.056 Uiso 1 1 calc R U . . .
C34 C 0.1966(2) 0.92263(19) 0.25085(14) 0.0343(5) Uani 1 1 d . . . . .
C35 C 0.2149(2) 0.81620(18) 0.29416(13) 0.0311(4) Uani 1 1 d . . . . .
H35 H 0.217713 0.758323 0.268592 0.037 Uiso 1 1 calc R U . . .
C36 C 0.1792(2) 0.61000(17) 0.39386(13) 0.0306(4) Uani 1 1 d . . . . .
H36 H 0.135160 0.632908 0.345048 0.037 Uiso 1 1 calc R U . . .
C37 C 0.1738(2) 0.50665(17) 0.43330(12) 0.0267(4) Uani 1 1 d . . . . .
C38 C 0.0899(2) 0.43861(17) 0.40413(12) 0.0283(4) Uani 1 1 d . . . . .
C39 C 0.0683(2) 0.34230(18) 0.45280(13) 0.0325(5) Uani 1 1 d . . . . .
H39 H 0.106262 0.323321 0.503052 0.039 Uiso 1 1 calc R U . . .
C40 C -0.0053(2) 0.27633(19) 0.42961(14) 0.0348(5) Uani 1 1 d . . . . .
H40 H -0.016449 0.211709 0.463455 0.042 Uiso 1 1 calc R U . . .
C41 C -0.0655(2) 0.30261(18) 0.35564(13) 0.0327(5) Uani 1 1 d . . . . .
C42 C -0.1466(3) 0.2378(2) 0.32942(15) 0.0403(5) Uani 1 1 d . . . . .
H42 H -0.161973 0.173693 0.362413 0.048 Uiso 1 1 calc R U . . .
C43 C -0.2024(3) 0.2660(2) 0.25810(16) 0.0464(6) Uani 1 1 d . . . . .
H43 H -0.255347 0.221112 0.241365 0.056 Uiso 1 1 calc R U . . .
C44 C -0.1824(3) 0.3610(3) 0.20887(17) 0.0531(7) Uani 1 1 d . . . . .
H44 H -0.222902 0.380564 0.159178 0.064 Uiso 1 1 calc R U . . .
C45 C -0.1050(3) 0.4257(2) 0.23198(16) 0.0513(7) Uani 1 1 d . . . . .
H45 H -0.091184 0.489485 0.198006 0.062 Uiso 1 1 calc R U . . .
C46 C -0.0453(3) 0.39818(19) 0.30604(13) 0.0352(5) Uani 1 1 d . . . . .
C47 C 0.0340(3) 0.46476(19) 0.33176(13) 0.0356(5) Uani 1 1 d . . . . .
H47 H 0.048659 0.528651 0.298158 0.043 Uiso 1 1 calc R U . . .
Cl1 Cl -0.08110(9) 0.33174(7) 0.85537(5) 0.0642(2) Uani 1 1 d . . . . .
Cl2 Cl 0.14648(12) 0.13892(9) 0.90042(7) 0.0979(4) Uani 1 1 d . . . . .
C48 C 0.1026(4) 0.2675(3) 0.8449(3) 0.0779(11) Uani 1 1 d . . . . .
H48A H 0.123963 0.263065 0.790302 0.093 Uiso 1 1 calc R U . . .
H48B H 0.165289 0.311717 0.859260 0.093 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 O1 2.0998(14) . ?
Pt1 O2 1.9965(14) . ?
Pt1 N1 2.0208(17) . ?
Pt1 C10 1.9694(19) . ?
O1 C25 1.275(3) . ?
O2 C37 1.289(2) . ?
N1 C1 1.359(3) . ?
N1 C4 1.365(3) . ?
N2 C4 1.368(3) . ?
N2 C5 1.421(2) . ?
N2 C16 1.429(3) . ?
N3 C3 1.323(3) . ?
N3 C4 1.337(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.366(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.378(3) . ?
C3 H3 0.9500 . ?
C5 C6 1.397(3) . ?
C5 C10 1.391(3) . ?
C6 C7 1.395(3) . ?
C6 C15 1.445(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(3) . ?
C8 C9 1.405(3) . ?
C8 C11 1.539(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.407(3) . ?
C11 C12 1.526(3) . ?
C11 C13 1.531(3) . ?
C11 C14 1.533(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.400(3) . ?
C15 C20 1.400(3) . ?
C16 C17 1.400(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.403(3) . ?
C19 C20 1.387(3) . ?
C19 C21 1.535(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.529(3) . ?
C21 C23 1.539(3) . ?
C21 C24 1.536(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.491(3) . ?
C25 C36 1.403(3) . ?
C26 C27 1.420(3) . ?
C26 C35 1.375(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.366(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.417(4) . ?
C29 C30 1.423(3) . ?
C29 C34 1.411(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.364(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.373(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.423(4) . ?
C34 C35 1.415(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.391(3) . ?
C37 C38 1.498(3) . ?
C38 C39 1.416(3) . ?
C38 C47 1.373(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.358(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.415(3) . ?
C41 C42 1.420(3) . ?
C41 C46 1.411(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.355(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.402(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.369(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.414(3) . ?
C46 C47 1.423(3) . ?
C47 H47 0.9500 . ?
Cl1 C48 1.750(3) . ?
Cl2 C48 1.730(4) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?

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
O2 Pt1 O1 89.69(6) . . ?
O2 Pt1 N1 178.63(6) . . ?
N1 Pt1 O1 90.21(6) . . ?
C10 Pt1 O1 177.03(7) . . ?
C10 Pt1 O2 88.70(7) . . ?
C10 Pt1 N1 91.34(7) . . ?
C25 O1 Pt1 124.90(13) . . ?
C37 O2 Pt1 127.18(14) . . ?
C1 N1 Pt1 115.47(14) . . ?
C1 N1 C4 115.59(17) . . ?
C4 N1 Pt1 128.83(13) . . ?
C4 N2 C5 126.16(17) . . ?
C4 N2 C16 125.74(17) . . ?
C5 N2 C16 107.49(16) . . ?
C3 N3 C4 118.36(19) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 122.9(2) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 121.6 . . ?
C1 C2 C3 116.8(2) . . ?
C3 C2 H2 121.6 . . ?
N3 C3 C2 122.2(2) . . ?
N3 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
N1 C4 N2 120.45(17) . . ?
N3 C4 N1 123.96(18) . . ?
N3 C4 N2 115.59(18) . . ?
C6 C5 N2 108.77(17) . . ?
C10 C5 N2 127.96(17) . . ?
C10 C5 C6 123.27(18) . . ?
C5 C6 C15 107.58(17) . . ?
C7 C6 C5 120.69(18) . . ?
C7 C6 C15 131.73(19) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 C6 118.64(18) . . ?
C8 C7 H7 120.7 . . ?
C7 C8 C9 118.64(18) . . ?
C7 C8 C11 121.31(17) . . ?
C9 C8 C11 119.94(17) . . ?
C8 C9 H9 117.7 . . ?
C8 C9 C10 124.68(18) . . ?
C10 C9 H9 117.7 . . ?
C5 C10 Pt1 121.92(14) . . ?
C5 C10 C9 113.99(17) . . ?
C9 C10 Pt1 124.00(15) . . ?
C12 C11 C8 111.60(17) . . ?
C12 C11 C13 109.1(2) . . ?
C12 C11 C14 107.74(19) . . ?
C13 C11 C8 108.13(17) . . ?
C13 C11 C14 109.0(2) . . ?
C14 C11 C8 111.15(17) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C6 107.93(17) . . ?
C16 C15 C20 120.93(18) . . ?
C20 C15 C6 131.14(19) . . ?
C15 C16 N2 108.19(17) . . ?
C15 C16 C17 119.78(19) . . ?
C17 C16 N2 132.03(19) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 C16 117.97(19) . . ?
C18 C17 H17 121.0 . . ?
C17 C18 H18 118.4 . . ?
C17 C18 C19 123.28(19) . . ?
C19 C18 H18 118.4 . . ?
C18 C19 C21 119.80(18) . . ?
C20 C19 C18 117.83(19) . . ?
C20 C19 C21 122.34(19) . . ?
C15 C20 H20 119.9 . . ?
C19 C20 C15 120.21(19) . . ?
C19 C20 H20 119.9 . . ?
C19 C21 C23 108.76(19) . . ?
C19 C21 C24 110.24(19) . . ?
C22 C21 C19 111.69(18) . . ?
C22 C21 C23 108.7(2) . . ?
C22 C21 C24 107.6(2) . . ?
C24 C21 C23 109.9(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 C26 115.18(18) . . ?
O1 C25 C36 125.51(19) . . ?
C36 C25 C26 119.19(19) . . ?
C27 C26 C25 118.9(2) . . ?
C35 C26 C25 122.1(2) . . ?
C35 C26 C27 119.0(2) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.6(2) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.5 . . ?
C27 C28 C29 121.1(2) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C30 122.7(2) . . ?
C34 C29 C28 118.7(2) . . ?
C34 C29 C30 118.6(2) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.4(3) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.9(3) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.1(3) . . ?
C33 C32 H32 119.5 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.6(3) . . ?
C34 C33 H33 120.2 . . ?
C29 C34 C33 119.5(2) . . ?
C29 C34 C35 119.2(2) . . ?
C35 C34 C33 121.3(2) . . ?
C26 C35 C34 121.4(2) . . ?
C26 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C25 C36 H36 116.9 . . ?
C37 C36 C25 126.2(2) . . ?
C37 C36 H36 116.9 . . ?
O2 C37 C36 125.97(19) . . ?
O2 C37 C38 112.30(18) . . ?
C36 C37 C38 121.72(18) . . ?
C39 C38 C37 118.79(19) . . ?
C47 C38 C37 122.9(2) . . ?
C47 C38 C39 118.3(2) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 C38 121.8(2) . . ?
C40 C39 H39 119.1 . . ?
C39 C40 H40 119.6 . . ?
C39 C40 C41 120.8(2) . . ?
C41 C40 H40 119.6 . . ?
C40 C41 C42 123.0(2) . . ?
C46 C41 C40 118.4(2) . . ?
C46 C41 C42 118.6(2) . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 121.1(2) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.3(2) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(3) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 119.8 . . ?
C44 C45 C46 120.5(3) . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 119.1(2) . . ?
C41 C46 C47 119.3(2) . . ?
C45 C46 C47 121.6(2) . . ?
C38 C47 C46 121.4(2) . . ?
C38 C47 H47 119.3 . . ?
C46 C47 H47 119.3 . . ?
Cl1 C48 H48A 109.0 . . ?
Cl1 C48 H48B 109.0 . . ?
Cl2 C48 Cl1 112.8(2) . . ?
Cl2 C48 H48A 109.0 . . ?
Cl2 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?

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 O1 C25 C26 -177.78(13) . . . . ?
Pt1 O1 C25 C36 6.2(3) . . . . ?
Pt1 O2 C37 C36 0.9(3) . . . . ?
Pt1 O2 C37 C38 -178.26(13) . . . . ?
Pt1 N1 C1 C2 173.54(17) . . . . ?
Pt1 N1 C4 N2 8.2(3) . . . . ?
Pt1 N1 C4 N3 -172.43(16) . . . . ?
O1 C25 C26 C27 -26.1(3) . . . . ?
O1 C25 C26 C35 154.5(2) . . . . ?
O1 C25 C36 C37 0.9(4) . . . . ?
O2 C37 C38 C39 9.7(3) . . . . ?
O2 C37 C38 C47 -169.6(2) . . . . ?
N1 C1 C2 C3 0.4(3) . . . . ?
N2 C5 C6 C7 -177.47(18) . . . . ?
N2 C5 C6 C15 2.2(2) . . . . ?
N2 C5 C10 Pt1 -5.0(3) . . . . ?
N2 C5 C10 C9 178.13(19) . . . . ?
N2 C16 C17 C18 179.2(2) . . . . ?
C1 N1 C4 N2 -175.76(18) . . . . ?
C1 N1 C4 N3 3.6(3) . . . . ?
C1 C2 C3 N3 2.1(4) . . . . ?
C3 N3 C4 N1 -1.4(3) . . . . ?
C3 N3 C4 N2 178.0(2) . . . . ?
C4 N1 C1 C2 -3.1(3) . . . . ?
C4 N2 C5 C6 169.35(19) . . . . ?
C4 N2 C5 C10 -11.4(3) . . . . ?
C4 N2 C16 C15 -170.38(19) . . . . ?
C4 N2 C16 C17 10.9(4) . . . . ?
C4 N3 C3 C2 -1.6(4) . . . . ?
C5 N2 C4 N1 9.5(3) . . . . ?
C5 N2 C4 N3 -169.94(19) . . . . ?
C5 N2 C16 C15 1.1(2) . . . . ?
C5 N2 C16 C17 -177.6(2) . . . . ?
C5 C6 C7 C8 -1.4(3) . . . . ?
C5 C6 C15 C16 -1.6(2) . . . . ?
C5 C6 C15 C20 178.2(2) . . . . ?
C6 C5 C10 Pt1 174.10(15) . . . . ?
C6 C5 C10 C9 -2.7(3) . . . . ?
C6 C7 C8 C9 -0.7(3) . . . . ?
C6 C7 C8 C11 -176.87(18) . . . . ?
C6 C15 C16 N2 0.3(2) . . . . ?
C6 C15 C16 C17 179.17(19) . . . . ?
C6 C15 C20 C19 -179.5(2) . . . . ?
C7 C6 C15 C16 178.1(2) . . . . ?
C7 C6 C15 C20 -2.1(4) . . . . ?
C7 C8 C9 C10 1.1(3) . . . . ?
C7 C8 C11 C12 -21.5(3) . . . . ?
C7 C8 C11 C13 98.5(2) . . . . ?
C7 C8 C11 C14 -141.8(2) . . . . ?
C8 C9 C10 Pt1 -176.17(16) . . . . ?
C8 C9 C10 C5 0.6(3) . . . . ?
C9 C8 C11 C12 162.3(2) . . . . ?
C9 C8 C11 C13 -77.6(2) . . . . ?
C9 C8 C11 C14 42.0(3) . . . . ?
C10 C5 C6 C7 3.2(3) . . . . ?
C10 C5 C6 C15 -177.05(18) . . . . ?
C11 C8 C9 C10 177.33(19) . . . . ?
C15 C6 C7 C8 179.0(2) . . . . ?
C15 C16 C17 C18 0.6(3) . . . . ?
C16 N2 C4 N1 179.43(18) . . . . ?
C16 N2 C4 N3 0.0(3) . . . . ?
C16 N2 C5 C6 -2.1(2) . . . . ?
C16 N2 C5 C10 177.2(2) . . . . ?
C16 C15 C20 C19 0.2(3) . . . . ?
C16 C17 C18 C19 -0.1(4) . . . . ?
C17 C18 C19 C20 -0.3(3) . . . . ?
C17 C18 C19 C21 177.7(2) . . . . ?
C18 C19 C20 C15 0.2(3) . . . . ?
C18 C19 C21 C22 172.4(2) . . . . ?
C18 C19 C21 C23 -67.6(3) . . . . ?
C18 C19 C21 C24 52.9(3) . . . . ?
C20 C15 C16 N2 -179.54(18) . . . . ?
C20 C15 C16 C17 -0.6(3) . . . . ?
C20 C19 C21 C22 -9.7(3) . . . . ?
C20 C19 C21 C23 110.2(2) . . . . ?
C20 C19 C21 C24 -129.3(2) . . . . ?
C21 C19 C20 C15 -177.7(2) . . . . ?
C25 C26 C27 C28 -177.2(2) . . . . ?
C25 C26 C35 C34 178.15(19) . . . . ?
C25 C36 C37 O2 -5.0(4) . . . . ?
C25 C36 C37 C38 174.0(2) . . . . ?
C26 C25 C36 C37 -175.0(2) . . . . ?
C26 C27 C28 C29 -1.3(3) . . . . ?
C27 C26 C35 C34 -1.3(3) . . . . ?
C27 C28 C29 C30 179.8(2) . . . . ?
C27 C28 C29 C34 -0.6(3) . . . . ?
C28 C29 C30 C31 -179.8(2) . . . . ?
C28 C29 C34 C33 180.0(2) . . . . ?
C28 C29 C34 C35 1.5(3) . . . . ?
C29 C30 C31 C32 -0.4(4) . . . . ?
C29 C34 C35 C26 -0.6(3) . . . . ?
C30 C29 C34 C33 -0.4(3) . . . . ?
C30 C29 C34 C35 -178.9(2) . . . . ?
C30 C31 C32 C33 -0.1(5) . . . . ?
C31 C32 C33 C34 0.3(4) . . . . ?
C32 C33 C34 C29 0.0(4) . . . . ?
C32 C33 C34 C35 178.4(2) . . . . ?
C33 C34 C35 C26 -179.0(2) . . . . ?
C34 C29 C30 C31 0.6(4) . . . . ?
C35 C26 C27 C28 2.2(3) . . . . ?
C36 C25 C26 C27 150.2(2) . . . . ?
C36 C25 C26 C35 -29.3(3) . . . . ?
C36 C37 C38 C39 -169.5(2) . . . . ?
C36 C37 C38 C47 11.2(3) . . . . ?
C37 C38 C39 C40 -179.2(2) . . . . ?
C37 C38 C47 C46 -179.9(2) . . . . ?
C38 C39 C40 C41 -1.0(4) . . . . ?
C39 C38 C47 C46 0.8(3) . . . . ?
C39 C40 C41 C42 -178.3(2) . . . . ?
C39 C40 C41 C46 1.0(3) . . . . ?
C40 C41 C42 C43 -180.0(2) . . . . ?
C40 C41 C46 C45 -179.9(2) . . . . ?
C40 C41 C46 C47 -0.2(3) . . . . ?
C41 C42 C43 C44 -0.8(4) . . . . ?
C41 C46 C47 C38 -0.7(4) . . . . ?
C42 C41 C46 C45 -0.6(4) . . . . ?
C42 C41 C46 C47 179.2(2) . . . . ?
C42 C43 C44 C45 0.7(5) . . . . ?
C43 C44 C45 C46 -0.6(5) . . . . ?
C44 C45 C46 C41 0.6(4) . . . . ?
C44 C45 C46 C47 -179.2(3) . . . . ?
C45 C46 C47 C38 179.0(2) . . . . ?
C46 C41 C42 C43 0.7(4) . . . . ?
C47 C38 C39 C40 0.1(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 22.0 0.0 ?
2 0.000 0.500 0.000 166.2 43.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
