# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_HM114
_database_code_depnum_ccdc_archive 'CCDC 2126978'
loop_
_audit_author_name
_audit_author_address
'Marie Cordier'
;Institut des Sciences Chimiques de Rennes
France
;
_audit_update_record             
;
2021-12-07 deposited with the CCDC.	2022-03-11 downloaded from the CCDC.
;


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#


_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C23 H16 N4 O Pt'
_chemical_formula_sum            'C23 H16 N4 O Pt'
_chemical_formula_weight         559.49
_chemical_compound_source        'synthesis as described'

#------------------------------------------------------------------------------#
#                            UNIT CELL INFORMATION                             #
#------------------------------------------------------------------------------#


_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.768(3)
_cell_length_b                   10.8889(13)
_cell_length_c                   13.8726(19)
_cell_angle_alpha                90
_cell_angle_beta                 92.343(6)
_cell_angle_gamma                90
_cell_volume                     3738.3(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    150
_cell_measurement_reflns_used    2244
_cell_measurement_theta_min      2.4973
_cell_measurement_theta_max      22.5271
_cell_measurement_wavelength     0.710730

#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.988
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2144
_exptl_special_details           
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    7.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.297
_exptl_absorpt_correction_T_max  0.376

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 CCD-LDI-APEX2
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_reflns_av_r_equivalents  0.0636
_diffrn_reflns_av_uneti/neti     0.0843
_diffrn_reflns_number            12914
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.497
_diffrn_reflns_theta_max         27.473
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_reflns_number_total             4245
_reflns_number_gt                2978
_reflns_threshold_expression     >2sigma(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.

_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2018)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0460P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4245
_refine_ls_number_parameters     221
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1078
_refine_ls_wR_factor_gt          0.0965
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.575
_refine_diff_density_min         -1.931
_refine_diff_density_rms         0.235

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................



# ............... End of .RES file ........................................... #
#------------------------------------------------------------------------------#

#...............................................................................
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file ........................................... #
#------------------------------------------------------------------------------#
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

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'

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 0.03538(2) 0.77379(3) 0.35339(2) 0.02073(12) Uani 1 1 d . . . . .
O1 O -0.1676(2) 1.0405(5) 0.4675(4) 0.0334(15) Uani 1 1 d . . . . .
N1 N 0.0617(2) 0.9496(6) 0.3422(5) 0.0206(15) Uani 1 1 d . . . . .
N2 N 0.0342(3) 1.1593(6) 0.3574(5) 0.0248(15) Uani 1 1 d . . . . .
N3 N -0.0147(3) 0.6313(6) 0.3798(5) 0.0228(16) Uani 1 1 d . . . . .
N4 N -0.1023(3) 0.5853(6) 0.4384(5) 0.0287(17) Uani 1 1 d . . . . .
C1 C 0.1114(3) 0.9854(8) 0.3153(6) 0.0245(19) Uani 1 1 d . . . . .
H1 H 0.137869 0.926377 0.299567 0.029 Uiso 1 1 calc R U . . .
C2 C 0.1228(3) 1.1105(8) 0.3112(6) 0.029(2) Uani 1 1 d . . . . .
H2 H 0.157623 1.137860 0.294655 0.035 Uiso 1 1 calc R U . . .
C3 C 0.0838(3) 1.1928(8) 0.3311(6) 0.030(2) Uani 1 1 d . . . . .
H3 H 0.091800 1.277842 0.326257 0.036 Uiso 1 1 calc R U . . .
C4 C 0.0243(3) 1.0406(7) 0.3629(6) 0.0206(18) Uani 1 1 d . . . . .
C5 C -0.0282(3) 0.9927(7) 0.3887(5) 0.0192(18) Uani 1 1 d . . . . .
C6 C -0.0289(3) 0.8645(7) 0.3879(6) 0.0237(19) Uani 1 1 d . . . . .
C7 C -0.0746(3) 0.7990(7) 0.4135(6) 0.0198(18) Uani 1 1 d . . . . .
C8 C -0.1204(3) 0.8605(8) 0.4391(6) 0.0218(18) Uani 1 1 d . . . . .
H8 H -0.151731 0.816466 0.456137 0.026 Uiso 1 1 calc R U . . .
C9 C -0.1201(3) 0.9886(8) 0.4397(6) 0.0235(19) Uani 1 1 d . . . . .
C10 C -0.0737(3) 1.0561(7) 0.4170(6) 0.0227(18) Uani 1 1 d . . . . .
H10 H -0.073524 1.143219 0.420846 0.027 Uiso 1 1 calc R U . . .
C11 C -0.1728(3) 1.1692(8) 0.4586(7) 0.036(2) Uani 1 1 d . . . . .
H11A H -0.146832 1.209441 0.503513 0.053 Uiso 1 1 calc R U . . .
H11B H -0.209543 1.193642 0.473655 0.053 Uiso 1 1 calc R U . . .
H11C H -0.165506 1.193770 0.392392 0.053 Uiso 1 1 calc R U . . .
C12 C -0.0658(3) 0.6638(8) 0.4114(6) 0.0247(19) Uani 1 1 d . . . . .
C13 C -0.0044(4) 0.5110(7) 0.3712(6) 0.0257(19) Uani 1 1 d . . . . .
H13 H 0.029160 0.484901 0.347372 0.031 Uiso 1 1 calc R U . . .
C14 C -0.0418(4) 0.4253(8) 0.3965(7) 0.035(2) Uani 1 1 d . . . . .
H14 H -0.034937 0.339891 0.390097 0.042 Uiso 1 1 calc R U . . .
C15 C -0.0891(3) 0.4663(8) 0.4311(7) 0.033(2) Uani 1 1 d . . . . .
H15 H -0.114358 0.406999 0.451306 0.039 Uiso 1 1 calc R U . . .
C16 C 0.1055(3) 0.6703(8) 0.3235(7) 0.0409(9) Uani 1 1 d D . . . .
C17 C 0.1378(3) 0.5968(8) 0.3106(7) 0.0409(9) Uani 1 1 d D . . . .
C18 C 0.1816(4) 0.5087(9) 0.2938(8) 0.0409(9) Uani 1 1 d . . . . .
C19 C 0.2085(3) 0.5102(9) 0.2049(7) 0.0409(9) Uani 1 1 d . . . . .
H19 H 0.200164 0.570339 0.156939 0.049 Uiso 1 1 calc R U . . .
C20 C 0.2463(3) 0.4233(8) 0.1912(8) 0.0409(9) Uani 1 1 d . . . . .
H20 H 0.264808 0.424501 0.132547 0.049 Uiso 1 1 calc R U . . .
C21 C 0.2591(4) 0.3363(9) 0.2552(7) 0.0409(9) Uani 1 1 d . . . . .
H21 H 0.285135 0.275937 0.240189 0.049 Uiso 1 1 calc R U . . .
C22 C 0.2347(3) 0.3323(9) 0.3452(7) 0.0409(9) Uani 1 1 d . . . . .
H22 H 0.244895 0.270327 0.390630 0.049 Uiso 1 1 calc R U . . .
C23 C 0.1962(4) 0.4171(8) 0.3677(7) 0.0409(9) Uani 1 1 d . . . . .
H23 H 0.179720 0.416513 0.428429 0.049 Uiso 1 1 calc R U . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_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 C6 1.951(8) . ?
Pt1 N3 2.029(7) . ?
Pt1 N1 2.030(6) . ?
Pt1 C16 2.125(8) . ?
O1 C9 1.374(9) . ?
O1 C11 1.412(10) . ?
N1 C1 1.358(9) . ?
N1 C4 1.394(9) . ?
N2 C4 1.319(10) . ?
N2 C3 1.346(10) . ?
N3 C13 1.340(10) . ?
N3 C12 1.403(9) . ?
N4 C12 1.310(10) . ?
N4 C15 1.341(10) . ?
C1 C2 1.392(11) . ?
C1 H1 0.9500 . ?
C2 C3 1.354(11) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.461(10) . ?
C5 C10 1.391(10) . ?
C5 C6 1.396(10) . ?
C6 C7 1.397(10) . ?
C7 C8 1.376(10) . ?
C7 C12 1.488(11) . ?
C8 C9 1.395(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.410(11) . ?
C10 H10 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.372(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.358(11) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.150(4) . ?
C17 C18 1.474(12) . ?
C18 C19 1.426(13) . ?
C18 C23 1.465(13) . ?
C19 C20 1.350(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.328(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.411(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.373(12) . ?
C22 H22 0.9500 . ?
C23 H23 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
C6 Pt1 N3 80.3(3) . . ?
C6 Pt1 N1 79.0(3) . . ?
N3 Pt1 N1 159.3(2) . . ?
C6 Pt1 C16 176.8(4) . . ?
N3 Pt1 C16 98.1(3) . . ?
N1 Pt1 C16 102.5(3) . . ?
C9 O1 C11 117.4(6) . . ?
C1 N1 C4 118.0(7) . . ?
C1 N1 Pt1 126.1(5) . . ?
C4 N1 Pt1 115.8(5) . . ?
C4 N2 C3 117.0(7) . . ?
C13 N3 C12 116.9(7) . . ?
C13 N3 Pt1 127.7(5) . . ?
C12 N3 Pt1 115.4(5) . . ?
C12 N4 C15 115.8(7) . . ?
N1 C1 C2 118.7(7) . . ?
N1 C1 H1 120.7 . . ?
C2 C1 H1 120.7 . . ?
C3 C2 C1 119.5(8) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
N2 C3 C2 122.9(8) . . ?
N2 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
N2 C4 N1 124.0(7) . . ?
N2 C4 C5 122.2(7) . . ?
N1 C4 C5 113.8(7) . . ?
C10 C5 C6 119.3(7) . . ?
C10 C5 C4 129.2(7) . . ?
C6 C5 C4 111.4(6) . . ?
C5 C6 C7 121.3(7) . . ?
C5 C6 Pt1 119.9(6) . . ?
C7 C6 Pt1 118.8(6) . . ?
C8 C7 C6 120.1(7) . . ?
C8 C7 C12 127.6(7) . . ?
C6 C7 C12 112.3(6) . . ?
C7 C8 C9 118.9(7) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
O1 C9 C8 114.1(7) . . ?
O1 C9 C10 124.2(7) . . ?
C8 C9 C10 121.6(7) . . ?
C5 C10 C9 118.7(7) . . ?
C5 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C12 N3 124.5(8) . . ?
N4 C12 C7 122.5(7) . . ?
N3 C12 C7 113.0(7) . . ?
N3 C13 C14 120.6(8) . . ?
N3 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C15 C14 C13 117.9(8) . . ?
C15 C14 H14 121.1 . . ?
C13 C14 H14 121.1 . . ?
N4 C15 C14 124.1(8) . . ?
N4 C15 H15 117.9 . . ?
C14 C15 H15 117.9 . . ?
C17 C16 Pt1 167.9(9) . . ?
C16 C17 C18 176.4(10) . . ?
C19 C18 C23 120.2(9) . . ?
C19 C18 C17 120.2(9) . . ?
C23 C18 C17 119.6(9) . . ?
C20 C19 C18 117.7(10) . . ?
C20 C19 H19 121.1 . . ?
C18 C19 H19 121.1 . . ?
C21 C20 C19 123.6(10) . . ?
C21 C20 H20 118.2 . . ?
C19 C20 H20 118.2 . . ?
C20 C21 C22 121.0(10) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C23 C22 C21 120.5(10) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C18 116.9(9) . . ?
C22 C23 H23 121.5 . . ?
C18 C23 H23 121.5 . . ?

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
C4 N1 C1 C2 1.0(11) . . . . ?
Pt1 N1 C1 C2 179.9(6) . . . . ?
N1 C1 C2 C3 -2.1(12) . . . . ?
C4 N2 C3 C2 -0.4(12) . . . . ?
C1 C2 C3 N2 1.8(13) . . . . ?
C3 N2 C4 N1 -0.8(11) . . . . ?
C3 N2 C4 C5 -178.7(7) . . . . ?
C1 N1 C4 N2 0.4(11) . . . . ?
Pt1 N1 C4 N2 -178.6(6) . . . . ?
C1 N1 C4 C5 178.5(7) . . . . ?
Pt1 N1 C4 C5 -0.4(8) . . . . ?
N2 C4 C5 C10 -4.6(13) . . . . ?
N1 C4 C5 C10 177.2(8) . . . . ?
N2 C4 C5 C6 178.9(7) . . . . ?
N1 C4 C5 C6 0.7(9) . . . . ?
C10 C5 C6 C7 1.0(12) . . . . ?
C4 C5 C6 C7 177.9(7) . . . . ?
C10 C5 C6 Pt1 -177.6(6) . . . . ?
C4 C5 C6 Pt1 -0.7(9) . . . . ?
C5 C6 C7 C8 0.7(12) . . . . ?
Pt1 C6 C7 C8 179.4(6) . . . . ?
C5 C6 C7 C12 -177.7(7) . . . . ?
Pt1 C6 C7 C12 0.9(9) . . . . ?
C6 C7 C8 C9 -0.5(12) . . . . ?
C12 C7 C8 C9 177.7(7) . . . . ?
C11 O1 C9 C8 -172.4(7) . . . . ?
C11 O1 C9 C10 9.9(12) . . . . ?
C7 C8 C9 O1 -179.3(7) . . . . ?
C7 C8 C9 C10 -1.5(12) . . . . ?
C6 C5 C10 C9 -2.9(12) . . . . ?
C4 C5 C10 C9 -179.2(8) . . . . ?
O1 C9 C10 C5 -179.3(7) . . . . ?
C8 C9 C10 C5 3.2(12) . . . . ?
C15 N4 C12 N3 -2.5(12) . . . . ?
C15 N4 C12 C7 178.9(7) . . . . ?
C13 N3 C12 N4 4.5(12) . . . . ?
Pt1 N3 C12 N4 -175.1(6) . . . . ?
C13 N3 C12 C7 -176.8(7) . . . . ?
Pt1 N3 C12 C7 3.6(8) . . . . ?
C8 C7 C12 N4 -2.5(13) . . . . ?
C6 C7 C12 N4 175.8(8) . . . . ?
C8 C7 C12 N3 178.8(8) . . . . ?
C6 C7 C12 N3 -2.9(9) . . . . ?
C12 N3 C13 C14 -2.8(11) . . . . ?
Pt1 N3 C13 C14 176.8(6) . . . . ?
N3 C13 C14 C15 -0.5(13) . . . . ?
C12 N4 C15 C14 -1.2(13) . . . . ?
C13 C14 C15 N4 2.8(14) . . . . ?
C23 C18 C19 C20 1.6(14) . . . . ?
C17 C18 C19 C20 -176.5(8) . . . . ?
C18 C19 C20 C21 0.9(14) . . . . ?
C19 C20 C21 C22 -2.4(15) . . . . ?
C20 C21 C22 C23 1.3(15) . . . . ?
C21 C22 C23 C18 1.1(13) . . . . ?
C19 C18 C23 C22 -2.5(14) . . . . ?
C17 C18 C23 C22 175.6(8) . . . . ?
####################################################################### 
# 
# 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_HM102
_database_code_depnum_ccdc_archive 'CCDC 2126979'
loop_
_audit_author_name
_audit_author_address
'Marie Cordier'
;Institut des Sciences Chimiques de Rennes
France
;
_audit_update_record             
;
2021-12-07 deposited with the CCDC.	2022-03-11 downloaded from the CCDC.
;

#------------------------------------------------------------------------------#
# Date of experiment: 08 septembre 2021                                        #
#------------------------------------------------------------------------------#


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C24 H18 N4 O2 Pt'
_chemical_formula_sum            'C24 H18 N4 O2 Pt'
_chemical_formula_weight         589.51
_chemical_compound_source        'synthesis as described'

#------------------------------------------------------------------------------#
#                    SPACE GROUP AND UNIT CELL INFORMATION                     #
#------------------------------------------------------------------------------#

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
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                   12.4772(12)
_cell_length_b                   7.8562(5)
_cell_length_c                   20.3724(18)
_cell_angle_alpha                90
_cell_angle_beta                 94.458(6)
_cell_angle_gamma                90
_cell_volume                     1990.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    537
_cell_measurement_theta_min      2.7799
_cell_measurement_theta_max      21.0337
_cell_measurement_wavelength     0.710730


#------------------------------------------------------------------------------#
#                              ORIENTATION MATRIX                              #
#------------------------------------------------------------------------------#

_diffrn_orient_matrix_UB_11      0.0672604
_diffrn_orient_matrix_UB_21      0.0437177
_diffrn_orient_matrix_UB_31      0.0052212
_diffrn_orient_matrix_UB_12      0.0025476
_diffrn_orient_matrix_UB_22      0.0112203
_diffrn_orient_matrix_UB_32      -0.1267672
_diffrn_orient_matrix_UB_13      -0.0236639
_diffrn_orient_matrix_UB_23      0.0430463
_diffrn_orient_matrix_UB_33      0.0033345


#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1136
_exptl_special_details           
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    7.078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.410
_exptl_absorpt_correction_T_max  0.753

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 CCD-LDI-APEX2
_diffrn_detector_area_resol_mean 8.33
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_reflns_av_uneti/neti     0.1021
_diffrn_reflns_av_r_equivalents  0.0903
_diffrn_reflns_number            3675
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         2.686
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.971
_reflns_number_total             3675
_reflns_number_gt                2555
_reflns_threshold_expression     >2sigma(I)

_reflns_special_details          
;
Reflections were merged by SHELXL according to the crystal class for the
calculation of statistics and refinement.

;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_molecular_graphics    
;
   'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
;
_computing_publication_material  
'CRYSCALC (T. Roisnel, local program, ver. 2021)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0426P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3675
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0930
_refine_ls_wR_factor_gt          0.0852
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_restrained_S_all      0.949
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.446
_refine_diff_density_min         -1.360
_refine_diff_density_rms         0.208

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

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'

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 0.36254(3) 0.36798(4) 0.43370(2) 0.02127(12) Uani 1 1 d . . . . .
O1 O 0.5913(5) 0.1613(7) 0.6961(3) 0.0282(14) Uani 1 1 d . . . . .
O2 O -0.0715(6) 0.4413(7) 0.0691(3) 0.0397(18) Uani 1 1 d . . . . .
N1 N 0.4909(6) 0.2419(7) 0.4008(3) 0.0205(16) Uani 1 1 d . . . . .
N2 N 0.6524(6) 0.0954(8) 0.4378(4) 0.0251(17) Uani 1 1 d . . . . .
N3 N 0.2660(6) 0.4760(8) 0.4982(3) 0.0235(17) Uani 1 1 d . . . . .
N4 N 0.2470(6) 0.5138(8) 0.6132(4) 0.0277(18) Uani 1 1 d . . . . .
C1 C 0.5134(8) 0.2190(10) 0.3382(4) 0.025(2) Uani 1 1 d . . . . .
H1 H 0.466265 0.263793 0.303616 0.030 Uiso 1 1 calc R U . . .
C2 C 0.6033(8) 0.1321(10) 0.3234(4) 0.031(2) Uani 1 1 d . . . . .
H2 H 0.618087 0.114093 0.278874 0.037 Uiso 1 1 calc R U . . .
C3 C 0.6735(7) 0.0701(10) 0.3751(4) 0.028(2) Uani 1 1 d . . . . .
H3 H 0.736418 0.009697 0.365531 0.033 Uiso 1 1 calc R U . . .
C4 C 0.5631(7) 0.1803(9) 0.4492(4) 0.0183(19) Uani 1 1 d . . . . .
C5 C 0.5340(8) 0.2156(10) 0.5161(4) 0.024(2) Uani 1 1 d . . . . .
C6 C 0.5898(7) 0.1652(9) 0.5763(4) 0.0210(19) Uani 1 1 d . . . . .
H6 H 0.655300 0.103329 0.576867 0.025 Uiso 1 1 calc R U . . .
C7 C 0.5453(7) 0.2096(10) 0.6347(4) 0.023(2) Uani 1 1 d . . . . .
C8 C 0.4512(7) 0.3029(9) 0.6352(4) 0.023(2) Uani 1 1 d . . . . .
H8 H 0.423123 0.332101 0.675726 0.028 Uiso 1 1 calc R U . . .
C9 C 0.3978(7) 0.3538(9) 0.5757(4) 0.0211(19) Uani 1 1 d . . . . .
C10 C 0.4403(7) 0.3059(9) 0.5169(4) 0.020(2) Uani 1 1 d . . . . .
C11 C 0.6982(8) 0.0888(11) 0.6996(4) 0.033(2) Uani 1 1 d . . . . .
H11A H 0.695414 -0.024182 0.679091 0.050 Uiso 1 1 calc R U . . .
H11B H 0.725929 0.078621 0.745751 0.050 Uiso 1 1 calc R U . . .
H11C H 0.745739 0.162785 0.676188 0.050 Uiso 1 1 calc R U . . .
C12 C 0.2977(7) 0.4520(9) 0.5645(5) 0.025(2) Uani 1 1 d . . . . .
C13 C 0.1785(7) 0.5727(9) 0.4842(5) 0.027(2) Uani 1 1 d . . . . .
H13 H 0.154200 0.592694 0.439470 0.033 Uiso 1 1 calc R U . . .
C14 C 0.1241(7) 0.6423(10) 0.5328(5) 0.034(2) Uani 1 1 d . . . . .
H14 H 0.063509 0.713200 0.522439 0.041 Uiso 1 1 calc R U . . .
C15 C 0.1588(8) 0.6079(10) 0.5979(5) 0.033(2) Uani 1 1 d . . . . .
H15 H 0.119324 0.651756 0.632148 0.039 Uiso 1 1 calc R U . . .
C16 C 0.2706(7) 0.4179(10) 0.3455(4) 0.024(2) Uani 1 1 d . . . . .
C17 C 0.2084(8) 0.4292(11) 0.2995(5) 0.031(2) Uani 1 1 d . . . . .
C18 C 0.1349(7) 0.4385(10) 0.2406(4) 0.026(2) Uani 1 1 d . . . . .
C19 C 0.1349(8) 0.3083(11) 0.1920(4) 0.031(2) Uani 1 1 d . . . . .
H19 H 0.182828 0.214825 0.198759 0.037 Uiso 1 1 calc R U . . .
C20 C 0.0665(7) 0.3150(11) 0.1351(5) 0.031(2) Uani 1 1 d . . . . .
H20 H 0.069799 0.229653 0.102301 0.037 Uiso 1 1 calc R U . . .
C21 C -0.0076(8) 0.4485(11) 0.1263(4) 0.030(2) Uani 1 1 d . . . . .
C22 C -0.0113(7) 0.5743(10) 0.1739(5) 0.029(2) Uani 1 1 d . . . . .
H22 H -0.061978 0.664449 0.168590 0.035 Uiso 1 1 calc R U . . .
C23 C 0.0601(8) 0.5661(10) 0.2292(4) 0.030(2) Uani 1 1 d . . . . .
H23 H 0.057469 0.653611 0.261249 0.036 Uiso 1 1 calc R U . . .
C24 C -0.1436(7) 0.5801(10) 0.0523(5) 0.030(2) Uani 1 1 d . . . . .
H24A H -0.192693 0.595094 0.087140 0.044 Uiso 1 1 calc R U . . .
H24B H -0.185193 0.555028 0.010614 0.044 Uiso 1 1 calc R U . . .
H24C H -0.102124 0.684751 0.047667 0.044 Uiso 1 1 calc R U . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_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 C10 1.949(8) . ?
Pt1 N3 2.036(7) . ?
Pt1 N1 2.040(7) . ?
Pt1 C16 2.092(8) . ?
O1 C7 1.388(9) . ?
O1 C11 1.448(11) . ?
O2 C21 1.360(10) . ?
O2 C24 1.438(10) . ?
N1 C1 1.340(10) . ?
N1 C4 1.370(10) . ?
N2 C4 1.333(11) . ?
N2 C3 1.340(11) . ?
N3 C13 1.343(10) . ?
N3 C12 1.390(11) . ?
N4 C12 1.310(11) . ?
N4 C15 1.342(11) . ?
C1 C2 1.367(13) . ?
C1 H1 0.9500 . ?
C2 C3 1.404(11) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.465(12) . ?
C5 C10 1.369(12) . ?
C5 C6 1.419(11) . ?
C6 C7 1.396(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(12) . ?
C8 C9 1.395(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.398(12) . ?
C9 C12 1.470(12) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.358(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(13) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.173(12) . ?
C17 C18 1.454(12) . ?
C18 C23 1.377(12) . ?
C18 C19 1.423(12) . ?
C19 C20 1.387(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.400(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(12) . ?
C22 C23 1.383(12) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
C10 Pt1 N3 79.7(3) . . ?
C10 Pt1 N1 79.3(3) . . ?
N3 Pt1 N1 158.9(3) . . ?
C10 Pt1 C16 175.3(3) . . ?
N3 Pt1 C16 99.4(3) . . ?
N1 Pt1 C16 101.6(3) . . ?
C7 O1 C11 117.8(7) . . ?
C21 O2 C24 119.1(7) . . ?
C1 N1 C4 117.5(8) . . ?
C1 N1 Pt1 127.3(6) . . ?
C4 N1 Pt1 115.1(6) . . ?
C4 N2 C3 118.0(7) . . ?
C13 N3 C12 116.7(8) . . ?
C13 N3 Pt1 127.6(6) . . ?
C12 N3 Pt1 115.7(6) . . ?
C12 N4 C15 117.6(8) . . ?
N1 C1 C2 120.9(8) . . ?
N1 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
C1 C2 C3 118.9(9) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
N2 C3 C2 120.4(9) . . ?
N2 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
N2 C4 N1 124.3(8) . . ?
N2 C4 C5 121.8(8) . . ?
N1 C4 C5 113.9(7) . . ?
C10 C5 C6 119.7(8) . . ?
C10 C5 C4 112.5(8) . . ?
C6 C5 C4 127.7(8) . . ?
C7 C6 C5 117.8(8) . . ?
C7 C6 H6 121.1 . . ?
C5 C6 H6 121.1 . . ?
C8 C7 O1 115.5(8) . . ?
C8 C7 C6 122.1(8) . . ?
O1 C7 C6 122.4(8) . . ?
C7 C8 C9 119.6(9) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 118.6(8) . . ?
C8 C9 C12 128.9(8) . . ?
C10 C9 C12 112.5(7) . . ?
C5 C10 C9 122.1(8) . . ?
C5 C10 Pt1 119.1(7) . . ?
C9 C10 Pt1 118.8(6) . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C12 N3 124.6(8) . . ?
N4 C12 C9 122.1(8) . . ?
N3 C12 C9 113.3(8) . . ?
N3 C13 C14 121.1(9) . . ?
N3 C13 H13 119.5 . . ?
C14 C13 H13 119.5 . . ?
C13 C14 C15 118.8(8) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N4 C15 C14 121.2(9) . . ?
N4 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 Pt1 170.1(8) . . ?
C16 C17 C18 177.2(11) . . ?
C23 C18 C19 116.3(8) . . ?
C23 C18 C17 123.4(8) . . ?
C19 C18 C17 120.2(8) . . ?
C20 C19 C18 121.4(8) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C19 C20 C21 119.6(8) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
O2 C21 C22 125.4(8) . . ?
O2 C21 C20 114.5(8) . . ?
C22 C21 C20 120.1(8) . . ?
C23 C22 C21 118.8(8) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C18 C23 C22 123.8(8) . . ?
C18 C23 H23 118.1 . . ?
C22 C23 H23 118.1 . . ?
O2 C24 H24A 109.5 . . ?
O2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
C4 N1 C1 C2 2.3(11) . . . . ?
Pt1 N1 C1 C2 179.6(6) . . . . ?
N1 C1 C2 C3 -1.4(12) . . . . ?
C4 N2 C3 C2 0.2(11) . . . . ?
C1 C2 C3 N2 0.2(12) . . . . ?
C3 N2 C4 N1 0.8(11) . . . . ?
C3 N2 C4 C5 -179.4(7) . . . . ?
C1 N1 C4 N2 -2.0(11) . . . . ?
Pt1 N1 C4 N2 -179.6(6) . . . . ?
C1 N1 C4 C5 178.1(6) . . . . ?
Pt1 N1 C4 C5 0.5(8) . . . . ?
N2 C4 C5 C10 179.3(7) . . . . ?
N1 C4 C5 C10 -0.8(9) . . . . ?
N2 C4 C5 C6 -1.8(12) . . . . ?
N1 C4 C5 C6 178.1(7) . . . . ?
C10 C5 C6 C7 0.5(11) . . . . ?
C4 C5 C6 C7 -178.3(7) . . . . ?
C11 O1 C7 C8 -169.9(7) . . . . ?
C11 O1 C7 C6 11.0(11) . . . . ?
C5 C6 C7 C8 -1.4(12) . . . . ?
C5 C6 C7 O1 177.6(7) . . . . ?
O1 C7 C8 C9 -178.5(7) . . . . ?
C6 C7 C8 C9 0.6(12) . . . . ?
C7 C8 C9 C10 1.2(11) . . . . ?
C7 C8 C9 C12 179.8(8) . . . . ?
C6 C5 C10 C9 1.2(12) . . . . ?
C4 C5 C10 C9 -179.8(7) . . . . ?
C6 C5 C10 Pt1 -178.2(5) . . . . ?
C4 C5 C10 Pt1 0.8(9) . . . . ?
C8 C9 C10 C5 -2.1(12) . . . . ?
C12 C9 C10 C5 179.1(7) . . . . ?
C8 C9 C10 Pt1 177.3(6) . . . . ?
C12 C9 C10 Pt1 -1.5(9) . . . . ?
C15 N4 C12 N3 -0.5(12) . . . . ?
C15 N4 C12 C9 177.2(7) . . . . ?
C13 N3 C12 N4 1.5(11) . . . . ?
Pt1 N3 C12 N4 178.9(6) . . . . ?
C13 N3 C12 C9 -176.4(7) . . . . ?
Pt1 N3 C12 C9 1.0(8) . . . . ?
C8 C9 C12 N4 3.6(13) . . . . ?
C10 C9 C12 N4 -177.7(7) . . . . ?
C8 C9 C12 N3 -178.4(7) . . . . ?
C10 C9 C12 N3 0.2(9) . . . . ?
C12 N3 C13 C14 -0.2(12) . . . . ?
Pt1 N3 C13 C14 -177.3(6) . . . . ?
N3 C13 C14 C15 -1.8(13) . . . . ?
C12 N4 C15 C14 -1.7(12) . . . . ?
C13 C14 C15 N4 2.8(13) . . . . ?
C23 C18 C19 C20 2.9(14) . . . . ?
C17 C18 C19 C20 -179.3(9) . . . . ?
C18 C19 C20 C21 -2.8(15) . . . . ?
C24 O2 C21 C22 5.5(14) . . . . ?
C24 O2 C21 C20 -174.4(8) . . . . ?
C19 C20 C21 O2 -179.3(8) . . . . ?
C19 C20 C21 C22 0.9(15) . . . . ?
O2 C21 C22 C23 -179.0(9) . . . . ?
C20 C21 C22 C23 0.9(14) . . . . ?
C19 C18 C23 C22 -1.1(15) . . . . ?
C17 C18 C23 C22 -178.9(9) . . . . ?
C21 C22 C23 C18 -0.7(15) . . . . ?

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#                                EMBEDDED FILES                                #
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#                                                                              #

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................



# ............... End of .RES file ........................................... #
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#...............................................................................
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file ........................................... #
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#===END OF CIF FILE FOR COMPOUND 8 (HM102)                                     #
#------------------------------------------------------------------------------#
#                                                                              #
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#                            END OF GLOBAL CIF FILE                            #
#                                                                              #
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