# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 
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data_1
_audit_block_doi                 10.5517/ccdc.csd.cc22dp8g
_database_code_depnum_ccdc_archive 'CCDC 1918815'
loop_
_audit_author_name
_audit_author_address
wdz
;Xian Jiaotong University
China
;
_audit_update_record             
;
2019-05-27 deposited with the CCDC.	2020-09-28 downloaded from the CCDC.
;
_audit_creation_date             2018-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H15 N O2 Pt Se'
_chemical_formula_sum            'C18 H15 N O2 Pt Se'
_chemical_formula_weight         551.36
_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'
Se Se -0.0929 2.2259 '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                   19.364(4)
_cell_length_b                   11.864(3)
_cell_length_c                   14.588(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.857(3)
_cell_angle_gamma                90
_cell_volume                     3239.3(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8704
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.64
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.919
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.261
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22371
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.176
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4738
_reflns_number_total             5636
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.688
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         5636
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0247
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0289P)²+6.0344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0604
_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:
 C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C14(H14), C15(H15), C16(H16),
 C17(H17), C21(H21), C24(H24), C25(H25), C26(H26), C27(H27), C32(H32), C33(H33),
  C34(H34), C35(H35)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C19(H19A,H19B,H19C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.00905(2) 0.57480(2) 0.35333(2) 0.02144(7) Uani 1 1 d . . . . .
Se1 Se 0.17711(3) 0.74013(5) 0.59700(4) 0.03432(15) Uani 1 1 d . . . . .
O1 O -0.0920(2) 0.5208(3) 0.2793(3) 0.0274(9) Uani 1 1 d . . . . .
O2 O 0.0513(2) 0.5200(3) 0.2499(2) 0.0262(9) Uani 1 1 d . . . . .
N1 N -0.0279(2) 0.6349(4) 0.4599(3) 0.0236(10) Uani 1 1 d . . . . .
C1 C -0.1812(3) 0.4287(5) 0.1644(4) 0.0377(15) Uani 1 1 d . . . . .
H1A H -0.1932 0.3735 0.2079 0.057 Uiso 1 1 calc GR . . . .
H1B H -0.1874 0.3944 0.1017 0.057 Uiso 1 1 calc GR . . . .
H1C H -0.2127 0.4943 0.1593 0.057 Uiso 1 1 calc GR . . . .
C2 C -0.1050(3) 0.4654(5) 0.2018(4) 0.0258(13) Uani 1 1 d . . . . .
C3 C -0.0548(3) 0.4374(5) 0.1522(4) 0.0286(13) Uani 1 1 d . . . . .
H3 H -0.0718 0.3946 0.0958 0.034 Uiso 1 1 calc R . . . .
C4 C 0.0167(3) 0.4647(5) 0.1757(4) 0.0277(13) Uani 1 1 d . . . . .
C5 C 0.0630(4) 0.4307(5) 0.1115(4) 0.0394(16) Uani 1 1 d . . . . .
H5A H 0.0916 0.4954 0.1014 0.059 Uiso 1 1 calc GR . . . .
H5B H 0.0326 0.4054 0.0505 0.059 Uiso 1 1 calc GR . . . .
H5C H 0.0948 0.3692 0.1410 0.059 Uiso 1 1 calc GR . . . .
C6 C -0.0952(3) 0.6278(5) 0.4654(4) 0.0279(13) Uani 1 1 d . . . . .
H6 H -0.1287 0.5871 0.4180 0.033 Uiso 1 1 calc R . . . .
C7 C -0.1177(3) 0.6777(5) 0.5376(4) 0.0316(14) Uani 1 1 d . . . . .
H7 H -0.1667 0.6745 0.5379 0.038 Uiso 1 1 calc R . . . .
C8 C -0.0698(4) 0.7319(5) 0.6087(4) 0.0359(15) Uani 1 1 d . . . . .
H8 H -0.0853 0.7668 0.6585 0.043 Uiso 1 1 calc R . . . .
C9 C 0.0008(4) 0.7357(5) 0.6080(4) 0.0338(14) Uani 1 1 d . . . . .
H9 H 0.0349 0.7703 0.6588 0.041 Uiso 1 1 calc R . . . .
C10 C 0.0222(3) 0.6881(4) 0.5317(4) 0.0246(12) Uani 1 1 d . . . . .
C11 C 0.0920(3) 0.6834(4) 0.5152(4) 0.0261(13) Uani 1 1 d . . . . .
C12 C 0.1005(3) 0.6308(4) 0.4352(4) 0.0235(12) Uani 1 1 d . . . . .
C13 C 0.1749(3) 0.6245(5) 0.4323(4) 0.0265(13) Uani 1 1 d . . . . .
C14 C 0.2039(3) 0.5724(5) 0.3641(4) 0.0309(14) Uani 1 1 d . . . . .
H14 H 0.1728 0.5373 0.3107 0.037 Uiso 1 1 calc R . . . .
C15 C 0.2756(3) 0.5712(5) 0.3731(5) 0.0348(15) Uani 1 1 d . . . . .
H15 H 0.2939 0.5354 0.3260 0.042 Uiso 1 1 calc R . . . .
C16 C 0.3229(3) 0.6225(5) 0.4514(4) 0.0347(15) Uani 1 1 d . . . . .
H16 H 0.3729 0.6209 0.4573 0.042 Uiso 1 1 calc R . . . .
C17 C 0.2968(4) 0.6744(5) 0.5187(4) 0.0389(16) Uani 1 1 d . . . . .
H17 H 0.3285 0.7097 0.5715 0.047 Uiso 1 1 calc R . . . .
C18 C 0.2237(3) 0.6757(5) 0.5099(4) 0.0290(13) Uani 1 1 d . . . . .
Pt2 Pt 0.46424(2) 0.91565(2) 0.57142(2) 0.01742(7) Uani 1 1 d . . . . .
Se2 Se 0.63634(3) 0.69348(5) 0.49618(4) 0.02452(13) Uani 1 1 d . . . . .
O3 O 0.36142(19) 0.9770(3) 0.5529(2) 0.0243(8) Uani 1 1 d . . . . .
O4 O 0.49568(19) 0.9826(3) 0.7020(2) 0.0212(8) Uani 1 1 d . . . . .
N2 N 0.4379(2) 0.8455(3) 0.4431(3) 0.0181(9) Uani 1 1 d . . . . .
C19 C 0.2629(3) 1.0649(5) 0.5874(5) 0.0360(15) Uani 1 1 d . . . . .
H19A H 0.2504 1.0961 0.5230 0.054 Uiso 1 1 calc GR . . . .
H19B H 0.2534 1.1214 0.6317 0.054 Uiso 1 1 calc GR . . . .
H19C H 0.2340 0.9976 0.5894 0.054 Uiso 1 1 calc GR . . . .
C20 C 0.3403(3) 1.0342(5) 0.6150(4) 0.0258(13) Uani 1 1 d . . . . .
C21 C 0.3841(3) 1.0657(5) 0.7039(4) 0.0255(13) Uani 1 1 d . . . . .
H21 H 0.3624 1.1112 0.7423 0.031 Uiso 1 1 calc R . . . .
C22 C 0.4546(3) 1.0386(4) 0.7417(4) 0.0222(12) Uani 1 1 d . . . . .
C23 C 0.4908(3) 1.0749(5) 0.8423(4) 0.0321(14) Uani 1 1 d . . . . .
H23A H 0.4666 1.0397 0.8864 0.048 Uiso 1 1 calc GR . . . .
H23B H 0.4882 1.1571 0.8472 0.048 Uiso 1 1 calc GR . . . .
H23C H 0.5410 1.0513 0.8583 0.048 Uiso 1 1 calc GR . . . .
C24 C 0.3756(3) 0.8606(4) 0.3789(4) 0.0220(12) Uani 1 1 d . . . . .
H24 H 0.3407 0.9075 0.3949 0.026 Uiso 1 1 calc R . . . .
C25 C 0.3600(3) 0.8110(5) 0.2905(4) 0.0267(13) Uani 1 1 d . . . . .
H25 H 0.3152 0.8236 0.2463 0.032 Uiso 1 1 calc R . . . .
C26 C 0.4111(3) 0.7424(5) 0.2675(4) 0.0259(12) Uani 1 1 d . . . . .
H26 H 0.4011 0.7055 0.2078 0.031 Uiso 1 1 calc R . . . .
C27 C 0.4761(3) 0.7279(4) 0.3314(4) 0.0227(12) Uani 1 1 d . . . . .
H27 H 0.5119 0.6827 0.3157 0.027 Uiso 1 1 calc R . . . .
C28 C 0.4889(3) 0.7804(4) 0.4195(4) 0.0180(11) Uani 1 1 d . . . . .
C29 C 0.5535(3) 0.7783(4) 0.4960(4) 0.0178(11) Uani 1 1 d . . . . .
C30 C 0.5569(3) 0.8399(4) 0.5755(4) 0.0181(11) Uani 1 1 d . . . . .
C31 C 0.6256(3) 0.8319(4) 0.6434(3) 0.0194(11) Uani 1 1 d . . . . .
C32 C 0.6486(3) 0.8864(5) 0.7319(4) 0.0246(12) Uani 1 1 d . . . . .
H32 H 0.6168 0.9347 0.7532 0.030 Uiso 1 1 calc R . . . .
C33 C 0.7166(3) 0.8701(5) 0.7875(4) 0.0292(13) Uani 1 1 d . . . . .
H33 H 0.7319 0.9091 0.8460 0.035 Uiso 1 1 calc R . . . .
C34 C 0.7639(3) 0.7966(5) 0.7591(4) 0.0279(13) Uani 1 1 d . . . . .
H34 H 0.8107 0.7857 0.7987 0.034 Uiso 1 1 calc R . . . .
C35 C 0.7429(3) 0.7405(5) 0.6744(4) 0.0244(12) Uani 1 1 d . . . . .
H35 H 0.7747 0.6901 0.6553 0.029 Uiso 1 1 calc R . . . .
C36 C 0.6744(3) 0.7580(5) 0.6166(3) 0.0221(12) Uani 1 1 d . . . . .


_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 2.079(4) . ?
Pt1 O2 2.000(3) . ?
Pt1 N1 2.002(4) . ?
Pt1 C12 1.980(6) . ?
Se1 C11 1.892(6) . ?
Se1 C18 1.898(6) . ?
O1 C2 1.275(6) . ?
O2 C4 1.296(7) . ?
N1 C6 1.327(7) . ?
N1 C10 1.384(7) . ?
C1 C2 1.500(8) . ?
C2 C3 1.393(8) . ?
C3 C4 1.378(8) . ?
C4 C5 1.507(8) . ?
C6 C7 1.374(8) . ?
C7 C8 1.363(9) . ?
C8 C9 1.370(9) . ?
C9 C10 1.403(8) . ?
C10 C11 1.434(8) . ?
C11 C12 1.370(7) . ?
C12 C13 1.456(8) . ?
C13 C14 1.405(8) . ?
C13 C18 1.413(8) . ?
C14 C15 1.361(8) . ?
C15 C16 1.406(9) . ?
C16 C17 1.361(9) . ?
C17 C18 1.387(9) . ?
Pt2 O3 2.072(4) . ?
Pt2 O4 2.009(3) . ?
Pt2 N2 1.992(4) . ?
Pt2 C30 1.993(5) . ?
Se2 C29 1.893(5) . ?
Se2 C36 1.884(5) . ?
O3 C20 1.280(6) . ?
O4 C22 1.283(6) . ?
N2 C24 1.335(7) . ?
N2 C28 1.366(6) . ?
C19 C20 1.494(8) . ?
C20 C21 1.406(8) . ?
C21 C22 1.373(8) . ?
C22 C23 1.518(8) . ?
C24 C25 1.379(7) . ?
C25 C26 1.387(8) . ?
C26 C27 1.371(8) . ?
C27 C28 1.392(7) . ?
C28 C29 1.447(7) . ?
C29 C30 1.358(7) . ?
C30 C31 1.445(7) . ?
C31 C32 1.410(7) . ?
C31 C36 1.415(7) . ?
C32 C33 1.372(8) . ?
C33 C34 1.402(8) . ?
C34 C35 1.370(8) . ?
C35 C36 1.394(7) . ?

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 91.16(15) . . ?
O2 Pt1 N1 176.60(17) . . ?
N1 Pt1 O1 92.12(17) . . ?
C12 Pt1 O1 173.73(18) . . ?
C12 Pt1 O2 95.09(18) . . ?
C12 Pt1 N1 81.6(2) . . ?
C11 Se1 C18 85.5(3) . . ?
C2 O1 Pt1 124.4(4) . . ?
C4 O2 Pt1 124.8(3) . . ?
C6 N1 Pt1 125.1(4) . . ?
C6 N1 C10 119.5(5) . . ?
C10 N1 Pt1 115.4(4) . . ?
O1 C2 C1 115.1(5) . . ?
O1 C2 C3 125.3(5) . . ?
C3 C2 C1 119.6(5) . . ?
C4 C3 C2 127.3(5) . . ?
O2 C4 C3 126.8(5) . . ?
O2 C4 C5 113.1(5) . . ?
C3 C4 C5 120.1(5) . . ?
N1 C6 C7 121.9(6) . . ?
C8 C7 C6 119.9(6) . . ?
C7 C8 C9 119.7(5) . . ?
C8 C9 C10 119.4(6) . . ?
N1 C10 C9 119.4(5) . . ?
N1 C10 C11 111.4(5) . . ?
C9 C10 C11 129.2(5) . . ?
C10 C11 Se1 125.9(4) . . ?
C12 C11 Se1 115.1(4) . . ?
C12 C11 C10 118.9(5) . . ?
C11 C12 Pt1 112.6(4) . . ?
C11 C12 C13 112.6(5) . . ?
C13 C12 Pt1 134.8(4) . . ?
C14 C13 C12 128.5(5) . . ?
C14 C13 C18 116.8(5) . . ?
C18 C13 C12 114.7(5) . . ?
C15 C14 C13 121.3(6) . . ?
C14 C15 C16 120.6(6) . . ?
C17 C16 C15 119.9(6) . . ?
C16 C17 C18 119.7(6) . . ?
C13 C18 Se1 112.0(4) . . ?
C17 C18 Se1 126.2(5) . . ?
C17 C18 C13 121.8(6) . . ?
O4 Pt2 O3 91.85(14) . . ?
N2 Pt2 O3 91.04(16) . . ?
N2 Pt2 O4 177.10(16) . . ?
N2 Pt2 C30 81.45(19) . . ?
C30 Pt2 O3 171.75(18) . . ?
C30 Pt2 O4 95.65(18) . . ?
C36 Se2 C29 85.1(2) . . ?
C20 O3 Pt2 124.4(4) . . ?
C22 O4 Pt2 124.1(3) . . ?
C24 N2 Pt2 124.7(3) . . ?
C24 N2 C28 118.8(4) . . ?
C28 N2 Pt2 116.4(3) . . ?
O3 C20 C19 114.8(5) . . ?
O3 C20 C21 124.5(5) . . ?
C21 C20 C19 120.7(5) . . ?
C22 C21 C20 127.6(5) . . ?
O4 C22 C21 127.5(5) . . ?
O4 C22 C23 113.4(5) . . ?
C21 C22 C23 119.2(5) . . ?
N2 C24 C25 122.7(5) . . ?
C24 C25 C26 118.5(5) . . ?
C27 C26 C25 119.8(5) . . ?
C26 C27 C28 119.1(5) . . ?
N2 C28 C27 121.1(5) . . ?
N2 C28 C29 110.7(4) . . ?
C27 C28 C29 128.2(5) . . ?
C28 C29 Se2 125.1(4) . . ?
C30 C29 Se2 115.5(4) . . ?
C30 C29 C28 119.5(4) . . ?
C29 C30 Pt2 111.8(4) . . ?
C29 C30 C31 112.6(5) . . ?
C31 C30 Pt2 135.6(4) . . ?
C32 C31 C30 128.1(5) . . ?
C32 C31 C36 117.4(5) . . ?
C36 C31 C30 114.4(4) . . ?
C33 C32 C31 120.4(5) . . ?
C32 C33 C34 120.9(5) . . ?
C35 C34 C33 120.2(5) . . ?
C34 C35 C36 119.3(5) . . ?
C31 C36 Se2 112.4(4) . . ?
C35 C36 Se2 126.0(4) . . ?
C35 C36 C31 121.7(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_wdz_pt_te_0m
_audit_block_doi                 10.5517/ccdc.csd.cc22dp9h
_database_code_depnum_ccdc_archive 'CCDC 1918816'
loop_
_audit_author_name
_audit_author_address
wdz
;Xian Jiaotong University
China
;
_audit_update_record             
;
2019-05-27 deposited with the CCDC.	2020-09-28 downloaded from the CCDC.
;
_audit_creation_date             2018-06-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C18 H15 N O2 Pt Te'
_chemical_formula_sum            'C18 H15 N O2 Pt Te'
_chemical_formula_weight         600.00
_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'
Te Te -0.5308 1.6751 '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                   19.507(5)
_cell_length_b                   12.005(3)
_cell_length_c                   14.592(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.877(3)
_cell_angle_gamma                90
_cell_volume                     3317.4(15)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7645
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.594
_cell_measurement_theta_min      2.315
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.191
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.403
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19311
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.615
_diffrn_reflns_theta_min         2.009
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5166
_reflns_number_total             6187
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         4.261
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         6187
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0314
_refine_ls_restrained_S_all      1.033
_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)+(0.0395P)²+14.0027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0809
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C12(H12),
 C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C27(H27), C28(H28), C29(H29),
  C30(H30), C34(H34)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C32(H32A,H32B,H32C), C36(H36A,H36B,
 H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 -0.03466(2) -0.08590(2) 0.06799(2) 0.01965(8) Uani 1 1 d . . . . .
Te1 Te 0.13382(3) -0.33371(4) -0.01340(3) 0.02814(13) Uani 1 1 d . . . . .
O1 O -0.1351(3) -0.0215(4) 0.0535(3) 0.0272(11) Uani 1 1 d . . . . .
O2 O -0.0020(3) -0.0181(4) 0.1977(3) 0.0237(11) Uani 1 1 d . . . . .
N1 N -0.0643(3) -0.1551(4) -0.0595(3) 0.0203(12) Uani 1 1 d . . . . .
C1 C -0.1255(4) -0.1367(6) -0.1215(5) 0.0255(16) Uani 1 1 d . . . . .
H1 H -0.1581 -0.0892 -0.1046 0.031 Uiso 1 1 calc R . . . .
C2 C -0.1425(4) -0.1854(6) -0.2100(5) 0.0308(17) Uani 1 1 d . . . . .
H2 H -0.1856 -0.1702 -0.2518 0.037 Uiso 1 1 calc R . . . .
C3 C -0.0954(4) -0.2561(6) -0.2353(5) 0.0299(17) Uani 1 1 d . . . . .
H3 H -0.1064 -0.2912 -0.2939 0.036 Uiso 1 1 calc R . . . .
C4 C -0.0305(4) -0.2749(6) -0.1718(5) 0.0274(17) Uani 1 1 d . . . . .
H4 H 0.0029 -0.3212 -0.1883 0.033 Uiso 1 1 calc R . . . .
C5 C -0.0161(4) -0.2239(5) -0.0841(4) 0.0209(14) Uani 1 1 d . . . . .
C6 C 0.0482(4) -0.2301(5) -0.0114(4) 0.0214(15) Uani 1 1 d . . . . .
C7 C 0.0553(4) -0.1668(5) 0.0682(4) 0.0196(14) Uani 1 1 d . . . . .
C8 C 0.1240(4) -0.1757(5) 0.1357(4) 0.0216(15) Uani 1 1 d . . . . .
C9 C 0.1459(4) -0.1123(6) 0.2196(5) 0.0256(16) Uani 1 1 d . . . . .
H9 H 0.1146 -0.0625 0.2367 0.031 Uiso 1 1 calc R . . . .
C10 C 0.2133(4) -0.1242(6) 0.2761(5) 0.0296(17) Uani 1 1 d . . . . .
H10 H 0.2276 -0.0805 0.3299 0.035 Uiso 1 1 calc R . . . .
C11 C 0.2604(4) -0.2014(6) 0.2530(5) 0.0296(17) Uani 1 1 d . . . . .
H11 H 0.3055 -0.2090 0.2918 0.036 Uiso 1 1 calc R . . . .
C12 C 0.2401(4) -0.2661(6) 0.1730(5) 0.0294(17) Uani 1 1 d . . . . .
H12 H 0.2710 -0.3182 0.1581 0.035 Uiso 1 1 calc R . . . .
C13 C 0.1727(4) -0.2523(6) 0.1147(4) 0.0234(15) Uani 1 1 d . . . . .
C14 C -0.2304(4) 0.0721(7) 0.0892(6) 0.040(2) Uani 1 1 d . . . . .
H14A H -0.2402 0.1116 0.0303 0.060 Uiso 1 1 calc GR . . . .
H14B H -0.2398 0.1196 0.1376 0.060 Uiso 1 1 calc GR . . . .
H14C H -0.2598 0.0072 0.0832 0.060 Uiso 1 1 calc GR . . . .
C15 C -0.1548(4) 0.0378(6) 0.1147(5) 0.0278(16) Uani 1 1 d . . . . .
C16 C -0.1115(4) 0.0687(6) 0.2030(5) 0.0300(17) Uani 1 1 d . . . . .
H16 H -0.1322 0.1126 0.2414 0.036 Uiso 1 1 calc R . . . .
C17 C -0.0410(4) 0.0405(5) 0.2386(5) 0.0265(17) Uani 1 1 d . . . . .
C18 C -0.0029(4) 0.0764(5) 0.3372(4) 0.0253(17) Uani 1 1 d . . . . .
H18A H -0.0170 0.0295 0.3827 0.038 Uiso 1 1 calc GR . . . .
H18B H -0.0147 0.1523 0.3472 0.038 Uiso 1 1 calc GR . . . .
H18C H 0.0472 0.0701 0.3442 0.038 Uiso 1 1 calc GR . . . .
Pt2 Pt 0.50652(2) -0.07433(2) 0.35248(2) 0.02373(9) Uani 1 1 d . . . . .
Te2 Te 0.67027(3) -0.25264(4) 0.60831(3) 0.03528(14) Uani 1 1 d . . . . .
O3 O 0.4075(3) -0.0234(4) 0.2755(3) 0.0317(12) Uani 1 1 d . . . . .
O4 O 0.5517(3) -0.0198(4) 0.2513(3) 0.0309(12) Uani 1 1 d . . . . .
N2 N 0.4647(3) -0.1314(5) 0.4564(4) 0.0246(13) Uani 1 1 d . . . . .
C19 C 0.3970(4) -0.1216(6) 0.4582(5) 0.0314(18) Uani 1 1 d . . . . .
H19 H 0.3669 -0.0812 0.4107 0.038 Uiso 1 1 calc R . . . .
C20 C 0.3702(4) -0.1696(7) 0.5281(5) 0.0354(18) Uani 1 1 d . . . . .
H20 H 0.3224 -0.1647 0.5264 0.042 Uiso 1 1 calc R . . . .
C21 C 0.4163(5) -0.2254(6) 0.6011(5) 0.036(2) Uani 1 1 d . . . . .
H21 H 0.3994 -0.2579 0.6493 0.044 Uiso 1 1 calc R . . . .
C22 C 0.4866(5) -0.2326(6) 0.6022(5) 0.0339(19) Uani 1 1 d . . . . .
H22 H 0.5177 -0.2685 0.6516 0.041 Uiso 1 1 calc R . . . .
C23 C 0.5114(4) -0.1851(6) 0.5276(4) 0.0262(16) Uani 1 1 d . . . . .
C24 C 0.5822(4) -0.1844(6) 0.5160(5) 0.0266(16) Uani 1 1 d . . . . .
C25 C 0.5948(4) -0.1323(6) 0.4386(5) 0.0283(17) Uani 1 1 d . . . . .
C26 C 0.6699(4) -0.1291(6) 0.4348(5) 0.0274(16) Uani 1 1 d . . . . .
C27 C 0.6965(4) -0.0764(6) 0.3641(5) 0.0321(18) Uani 1 1 d . . . . .
H27 H 0.6656 -0.0416 0.3138 0.038 Uiso 1 1 calc R . . . .
C28 C 0.7675(5) -0.0764(6) 0.3691(6) 0.038(2) Uani 1 1 d . . . . .
H28 H 0.7844 -0.0414 0.3221 0.046 Uiso 1 1 calc R . . . .
C29 C 0.8149(5) -0.1283(7) 0.4439(6) 0.0380(19) Uani 1 1 d . . . . .
H29 H 0.8630 -0.1273 0.4468 0.046 Uiso 1 1 calc R . . . .
C30 C 0.7901(4) -0.1807(7) 0.5133(5) 0.038(2) Uani 1 1 d . . . . .
H30 H 0.8216 -0.2155 0.5631 0.046 Uiso 1 1 calc R . . . .
C31 C 0.7187(4) -0.1821(6) 0.5094(5) 0.0296(17) Uani 1 1 d . . . . .
C32 C 0.5678(5) 0.0735(8) 0.1169(6) 0.049(2) Uani 1 1 d . . . . .
H32A H 0.6075 0.1118 0.1557 0.073 Uiso 1 1 calc GR . . . .
H32B H 0.5430 0.1228 0.0683 0.073 Uiso 1 1 calc GR . . . .
H32C H 0.5840 0.0097 0.0885 0.073 Uiso 1 1 calc GR . . . .
C33 C 0.5186(5) 0.0362(6) 0.1771(5) 0.0324(18) Uani 1 1 d . . . . .
C34 C 0.4483(4) 0.0628(6) 0.1508(5) 0.0335(19) Uani 1 1 d . . . . .
H34 H 0.4333 0.1052 0.0964 0.040 Uiso 1 1 calc R . . . .
C35 C 0.3972(4) 0.0316(6) 0.1984(5) 0.0301(17) Uani 1 1 d . . . . .
C36 C 0.3210(5) 0.0628(7) 0.1560(6) 0.042(2) Uani 1 1 d . . . . .
H36A H 0.2916 -0.0015 0.1547 0.063 Uiso 1 1 calc GR . . . .
H36B H 0.3164 0.0897 0.0929 0.063 Uiso 1 1 calc GR . . . .
H36C H 0.3068 0.1201 0.1936 0.063 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 O1 2.071(5) . ?
Pt1 O2 2.018(4) . ?
Pt1 N1 1.993(5) . ?
Pt1 C7 2.004(7) . ?
Te1 C6 2.088(7) . ?
Te1 C13 2.084(6) . ?
O1 C15 1.270(8) . ?
O2 C17 1.284(8) . ?
N1 C1 1.333(9) . ?
N1 C5 1.363(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.384(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.365(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.397(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(9) . ?
C5 C6 1.436(10) . ?
C6 C7 1.367(9) . ?
C7 C8 1.465(9) . ?
C8 C9 1.418(9) . ?
C8 C13 1.407(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.402(11) . ?
C11 H11 0.9300 . ?
C11 C12 1.378(10) . ?
C12 H12 0.9300 . ?
C12 C13 1.395(10) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C15 1.489(11) . ?
C15 C16 1.410(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.390(11) . ?
C17 C18 1.516(9) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
Pt2 O3 2.079(5) . ?
Pt2 O4 2.002(5) . ?
Pt2 N2 2.007(6) . ?
Pt2 C25 1.998(7) . ?
Te2 C24 2.081(7) . ?
Te2 C31 2.085(8) . ?
O3 C35 1.277(8) . ?
O4 C33 1.306(8) . ?
N2 C19 1.332(10) . ?
N2 C23 1.367(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.379(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.390(11) . ?
C21 H21 0.9300 . ?
C21 C22 1.370(12) . ?
C22 H22 0.9300 . ?
C22 C23 1.413(10) . ?
C23 C24 1.431(11) . ?
C24 C25 1.363(10) . ?
C25 C26 1.481(11) . ?
C26 C27 1.410(11) . ?
C26 C31 1.414(10) . ?
C27 H27 0.9300 . ?
C27 C28 1.370(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.396(11) . ?
C29 H29 0.9300 . ?
C29 C30 1.375(12) . ?
C30 H30 0.9300 . ?
C30 C31 1.380(11) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 C33 1.515(11) . ?
C33 C34 1.370(11) . ?
C34 H34 0.9300 . ?
C34 C35 1.397(11) . ?
C35 C36 1.513(11) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

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 91.31(19) . . ?
N1 Pt1 O1 90.3(2) . . ?
N1 Pt1 O2 178.4(2) . . ?
N1 Pt1 C7 81.8(2) . . ?
C7 Pt1 O1 171.1(2) . . ?
C7 Pt1 O2 96.6(2) . . ?
C13 Te1 C6 80.1(3) . . ?
C15 O1 Pt1 125.1(5) . . ?
C17 O2 Pt1 124.6(5) . . ?
C1 N1 Pt1 125.2(5) . . ?
C1 N1 C5 119.0(6) . . ?
C5 N1 Pt1 115.7(4) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.6(7) . . ?
C2 C1 H1 118.7 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.3(7) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(6) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.5(7) . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 120.7(6) . . ?
N1 C5 C6 111.9(6) . . ?
C4 C5 C6 127.4(7) . . ?
C5 C6 Te1 125.4(5) . . ?
C7 C6 Te1 115.1(5) . . ?
C7 C6 C5 119.4(6) . . ?
C6 C7 Pt1 111.0(5) . . ?
C6 C7 C8 114.8(6) . . ?
C8 C7 Pt1 134.1(5) . . ?
C9 C8 C7 125.3(6) . . ?
C13 C8 C7 117.3(6) . . ?
C13 C8 C9 117.4(6) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(7) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.6(7) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(7) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.1(7) . . ?
C13 C12 H12 120.4 . . ?
C8 C13 Te1 112.5(5) . . ?
C12 C13 Te1 125.3(5) . . ?
C12 C13 C8 122.1(6) . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
O1 C15 C14 115.2(7) . . ?
O1 C15 C16 125.0(7) . . ?
C16 C15 C14 119.7(7) . . ?
C15 C16 H16 116.6 . . ?
C17 C16 C15 126.8(7) . . ?
C17 C16 H16 116.6 . . ?
O2 C17 C16 127.1(6) . . ?
O2 C17 C18 112.7(7) . . ?
C16 C17 C18 120.1(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O4 Pt2 O3 91.2(2) . . ?
O4 Pt2 N2 177.9(2) . . ?
N2 Pt2 O3 90.9(2) . . ?
C25 Pt2 O3 172.3(3) . . ?
C25 Pt2 O4 96.5(3) . . ?
C25 Pt2 N2 81.4(3) . . ?
C24 Te2 C31 80.4(3) . . ?
C35 O3 Pt2 123.9(5) . . ?
C33 O4 Pt2 124.2(5) . . ?
C19 N2 Pt2 124.7(5) . . ?
C19 N2 C23 120.6(6) . . ?
C23 N2 Pt2 114.7(5) . . ?
N2 C19 H19 119.0 . . ?
N2 C19 C20 122.0(7) . . ?
C20 C19 H19 119.0 . . ?
C19 C20 H20 120.7 . . ?
C19 C20 C21 118.6(8) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(7) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.5(7) . . ?
C23 C22 H22 120.2 . . ?
N2 C23 C22 119.1(7) . . ?
N2 C23 C24 113.1(6) . . ?
C22 C23 C24 127.8(7) . . ?
C23 C24 Te2 126.3(5) . . ?
C25 C24 Te2 115.6(6) . . ?
C25 C24 C23 118.1(6) . . ?
C24 C25 Pt2 112.4(6) . . ?
C24 C25 C26 114.8(6) . . ?
C26 C25 Pt2 132.7(5) . . ?
C27 C26 C25 125.4(7) . . ?
C27 C26 C31 117.9(7) . . ?
C31 C26 C25 116.6(6) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(7) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.8(8) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.8(8) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(7) . . ?
C31 C30 H30 119.9 . . ?
C26 C31 Te2 112.5(6) . . ?
C30 C31 Te2 126.6(6) . . ?
C30 C31 C26 120.8(7) . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
O4 C33 C32 112.2(7) . . ?
O4 C33 C34 127.9(7) . . ?
C34 C33 C32 119.9(7) . . ?
C33 C34 H34 117.1 . . ?
C33 C34 C35 125.8(7) . . ?
C35 C34 H34 117.1 . . ?
O3 C35 C34 126.5(7) . . ?
O3 C35 C36 114.9(7) . . ?
C34 C35 C36 118.6(7) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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 C15 C14 -178.5(5) . . . . ?
Pt1 O1 C15 C16 -0.5(10) . . . . ?
Pt1 O2 C17 C16 -0.1(10) . . . . ?
Pt1 O2 C17 C18 177.7(4) . . . . ?
Pt1 N1 C1 C2 178.5(5) . . . . ?
Pt1 N1 C5 C4 -178.7(5) . . . . ?
Pt1 N1 C5 C6 -1.2(7) . . . . ?
Pt1 C7 C8 C9 -8.1(10) . . . . ?
Pt1 C7 C8 C13 172.9(5) . . . . ?
Te1 C6 C7 Pt1 -173.1(3) . . . . ?
Te1 C6 C7 C8 4.5(7) . . . . ?
O1 C15 C16 C17 -0.2(12) . . . . ?
N1 C1 C2 C3 0.6(11) . . . . ?
N1 C5 C6 Te1 175.3(4) . . . . ?
N1 C5 C6 C7 -2.7(9) . . . . ?
C1 N1 C5 C4 -0.5(10) . . . . ?
C1 N1 C5 C6 177.0(6) . . . . ?
C1 C2 C3 C4 -1.7(11) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C3 C4 C5 N1 -0.6(10) . . . . ?
C3 C4 C5 C6 -177.7(7) . . . . ?
C4 C5 C6 Te1 -7.4(10) . . . . ?
C4 C5 C6 C7 174.6(7) . . . . ?
C5 N1 C1 C2 0.5(10) . . . . ?
C5 C6 C7 Pt1 5.1(8) . . . . ?
C5 C6 C7 C8 -177.3(6) . . . . ?
C6 C7 C8 C9 175.0(6) . . . . ?
C6 C7 C8 C13 -4.0(9) . . . . ?
C7 C8 C9 C10 -177.1(6) . . . . ?
C7 C8 C13 Te1 1.4(7) . . . . ?
C7 C8 C13 C12 178.7(6) . . . . ?
C8 C9 C10 C11 -2.0(10) . . . . ?
C9 C8 C13 Te1 -177.7(5) . . . . ?
C9 C8 C13 C12 -0.4(10) . . . . ?
C9 C10 C11 C12 0.5(11) . . . . ?
C10 C11 C12 C13 1.0(11) . . . . ?
C11 C12 C13 Te1 175.8(5) . . . . ?
C11 C12 C13 C8 -1.1(11) . . . . ?
C13 C8 C9 C10 1.9(10) . . . . ?
C14 C15 C16 C17 177.8(7) . . . . ?
C15 C16 C17 O2 0.5(12) . . . . ?
C15 C16 C17 C18 -177.1(7) . . . . ?
Pt2 O3 C35 C34 2.9(10) . . . . ?
Pt2 O3 C35 C36 -178.2(5) . . . . ?
Pt2 O4 C33 C32 175.7(5) . . . . ?
Pt2 O4 C33 C34 -4.1(11) . . . . ?
Pt2 N2 C19 C20 175.2(5) . . . . ?
Pt2 N2 C23 C22 -177.3(5) . . . . ?
Pt2 N2 C23 C24 3.2(7) . . . . ?
Pt2 C25 C26 C27 2.2(11) . . . . ?
Pt2 C25 C26 C31 -178.8(5) . . . . ?
Te2 C24 C25 Pt2 178.1(3) . . . . ?
Te2 C24 C25 C26 -2.2(8) . . . . ?
O4 C33 C34 C35 -1.7(13) . . . . ?
N2 C19 C20 C21 3.0(11) . . . . ?
N2 C23 C24 Te2 178.5(5) . . . . ?
N2 C23 C24 C25 0.2(9) . . . . ?
C19 N2 C23 C22 1.6(9) . . . . ?
C19 N2 C23 C24 -178.0(6) . . . . ?
C19 C20 C21 C22 -0.5(11) . . . . ?
C20 C21 C22 C23 -1.4(11) . . . . ?
C21 C22 C23 N2 0.9(10) . . . . ?
C21 C22 C23 C24 -179.7(7) . . . . ?
C22 C23 C24 Te2 -0.9(10) . . . . ?
C22 C23 C24 C25 -179.3(7) . . . . ?
C23 N2 C19 C20 -3.6(10) . . . . ?
C23 C24 C25 Pt2 -3.4(8) . . . . ?
C23 C24 C25 C26 176.3(6) . . . . ?
C24 C25 C26 C27 -177.5(7) . . . . ?
C24 C25 C26 C31 1.6(9) . . . . ?
C25 C26 C27 C28 178.4(7) . . . . ?
C25 C26 C31 Te2 -0.1(8) . . . . ?
C25 C26 C31 C30 -178.2(6) . . . . ?
C26 C27 C28 C29 0.0(11) . . . . ?
C27 C26 C31 Te2 179.0(5) . . . . ?
C27 C26 C31 C30 0.9(10) . . . . ?
C27 C28 C29 C30 0.4(12) . . . . ?
C28 C29 C30 C31 -0.2(12) . . . . ?
C29 C30 C31 Te2 -178.3(6) . . . . ?
C29 C30 C31 C26 -0.5(11) . . . . ?
C31 C26 C27 C28 -0.7(10) . . . . ?
C32 C33 C34 C35 178.5(8) . . . . ?
C33 C34 C35 O3 2.3(13) . . . . ?
C33 C34 C35 C36 -176.5(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
