# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dafh191128
_database_code_depnum_ccdc_archive 'CCDC 2093082'
_audit_update_record             
;
2021-06-29 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;




_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H43 Cl N4 Pt'
_chemical_formula_sum            'C31 H43 Cl N4 Pt'
_chemical_formula_weight         702.23

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   14.9375(5)
_cell_length_b                   12.7705(4)
_cell_length_c                   31.6136(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6030.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9817
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      31.91

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.768
_shelx_estimated_absorpt_T_min   0.535
_shelx_estimated_absorpt_T_max   0.647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6307
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Mo-ImuS 3.0 microfocus tube'
_diffrn_measurement_device_type  'Bruker PHOTON-III CPAD'
_diffrn_measurement_method       'φ and ω shuterless scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            155022
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         2.195
_diffrn_reflns_theta_max         32.060
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10516
_reflns_number_gt                7922
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0236P)²+20.7349P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10516
_refine_ls_number_parameters     352
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0701
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7286(2) 0.5159(3) 0.60707(11) 0.0246(6) Uani 1 1 d . . . . .
C2 C 0.6108(2) 0.6322(3) 0.60770(13) 0.0320(8) Uani 1 1 d . . . . .
H2 H 0.5731 0.6887 0.6158 0.038 Uiso 1 1 calc R U . . .
C3 C 0.5988(3) 0.5670(3) 0.57509(13) 0.0352(8) Uani 1 1 d . . . . .
H3 H 0.5505 0.5689 0.5555 0.042 Uiso 1 1 calc R U . . .
C4 C 0.7294(2) 0.6398(3) 0.66459(11) 0.0234(6) Uani 1 1 d . . . . .
C5 C 0.6847(2) 0.7292(3) 0.68590(13) 0.0315(8) Uani 1 1 d . . . . .
H5A H 0.7170 0.7463 0.7120 0.047 Uiso 1 1 calc R U . . .
H5B H 0.6229 0.7101 0.6927 0.047 Uiso 1 1 calc R U . . .
H5C H 0.6849 0.7901 0.6670 0.047 Uiso 1 1 calc R U . . .
C6 C 0.8473(2) 0.6247(2) 0.71345(10) 0.0218(6) Uani 1 1 d . . . . .
C7 C 0.8270(2) 0.5721(3) 0.75130(11) 0.0244(6) Uani 1 1 d . . . . .
C8 C 0.8714(2) 0.6069(3) 0.78780(11) 0.0295(7) Uani 1 1 d . . . . .
H8 H 0.8607 0.5722 0.8139 0.035 Uiso 1 1 calc R U . . .
C9 C 0.9300(2) 0.6896(3) 0.78675(12) 0.0313(8) Uani 1 1 d . . . . .
H9 H 0.9563 0.7142 0.8122 0.038 Uiso 1 1 calc R U . . .
C10 C 0.9508(2) 0.7375(3) 0.74870(12) 0.0305(7) Uani 1 1 d . . . . .
H10 H 0.9932 0.7930 0.7483 0.037 Uiso 1 1 calc R U . . .
C11 C 0.9106(2) 0.7056(3) 0.71081(11) 0.0265(7) Uani 1 1 d . . . . .
C12 C 0.7593(2) 0.4839(3) 0.75317(11) 0.0265(7) Uani 1 1 d . . . . .
H12 H 0.7507 0.4577 0.7236 0.032 Uiso 1 1 calc R U . . .
C13 C 0.6687(3) 0.5234(4) 0.76884(15) 0.0418(9) Uani 1 1 d . . . . .
H13A H 0.6756 0.5539 0.7971 0.063 Uiso 1 1 calc R U . . .
H13B H 0.6264 0.4649 0.7701 0.063 Uiso 1 1 calc R U . . .
H13C H 0.6460 0.5769 0.7494 0.063 Uiso 1 1 calc R U . . .
C14 C 0.7919(3) 0.3920(3) 0.77980(13) 0.0399(9) Uani 1 1 d . . . . .
H14A H 0.8501 0.3682 0.7692 0.060 Uiso 1 1 calc R U . . .
H14B H 0.7486 0.3345 0.7779 0.060 Uiso 1 1 calc R U . . .
H14C H 0.7978 0.4141 0.8094 0.060 Uiso 1 1 calc R U . . .
C15 C 0.9369(2) 0.7556(3) 0.66923(12) 0.0314(8) Uani 1 1 d . . . . .
H15 H 0.8951 0.7292 0.6469 0.038 Uiso 1 1 calc R U . . .
C16 C 1.0323(3) 0.7228(3) 0.65687(14) 0.0380(9) Uani 1 1 d . . . . .
H16A H 1.0746 0.7483 0.6782 0.057 Uiso 1 1 calc R U . . .
H16B H 1.0474 0.7529 0.6293 0.057 Uiso 1 1 calc R U . . .
H16C H 1.0357 0.6463 0.6553 0.057 Uiso 1 1 calc R U . . .
C17 C 0.9295(3) 0.8751(4) 0.67043(16) 0.0471(11) Uani 1 1 d . . . . .
H17A H 0.8681 0.8951 0.6779 0.071 Uiso 1 1 calc R U . . .
H17B H 0.9444 0.9037 0.6425 0.071 Uiso 1 1 calc R U . . .
H17C H 0.9711 0.9030 0.6916 0.071 Uiso 1 1 calc R U . . .
C18 C 0.6721(3) 0.4112(3) 0.54394(12) 0.0343(8) Uani 1 1 d . . . . .
C19 C 0.7254(3) 0.3153(4) 0.55468(16) 0.0522(13) Uani 1 1 d . . . . .
H19A H 0.7147 0.2612 0.5333 0.078 Uiso 1 1 calc R U . . .
H19B H 0.7070 0.2891 0.5825 0.078 Uiso 1 1 calc R U . . .
H19C H 0.7892 0.3329 0.5553 0.078 Uiso 1 1 calc R U . . .
C20 C 0.6161(3) 0.3502(3) 0.47938(13) 0.0394(9) Uani 1 1 d . . . . .
C21 C 0.6574(4) 0.3731(5) 0.44056(14) 0.0551(13) Uani 1 1 d . . . . .
C22 C 0.6441(4) 0.3038(6) 0.40707(15) 0.0672(18) Uani 1 1 d . . . . .
H22 H 0.6719 0.3177 0.3806 0.081 Uiso 1 1 calc R U . . .
C23 C 0.5923(5) 0.2170(5) 0.41122(17) 0.0670(18) Uani 1 1 d . . . . .
H23 H 0.5836 0.1715 0.3878 0.080 Uiso 1 1 calc R U . . .
C24 C 0.5531(4) 0.1953(4) 0.44900(16) 0.0568(14) Uani 1 1 d . . . . .
H24 H 0.5176 0.1339 0.4516 0.068 Uiso 1 1 calc R U . . .
C25 C 0.5634(3) 0.2608(3) 0.48413(13) 0.0403(10) Uani 1 1 d . . . . .
C26 C 0.7109(5) 0.4731(6) 0.43482(19) 0.085(2) Uani 1 1 d . . . . .
H26 H 0.7354 0.4983 0.4624 0.102 Uiso 0.7 1 calc R U P A 1
H26B H 0.6713 0.5310 0.4246 0.102 Uiso 0.3 1 calc R U P B 2
C27 C 0.6622(7) 0.5538(7) 0.4140(5) 0.101(4) Uani 0.7 1 d . . P C 1
H27A H 0.6184 0.5225 0.3947 0.151 Uiso 0.7 1 calc R U P C 1
H27B H 0.7037 0.5979 0.3979 0.151 Uiso 0.7 1 calc R U P C 1
H27C H 0.6311 0.5967 0.4351 0.151 Uiso 0.7 1 calc R U P C 1
C27B C 0.7796(16) 0.5159(15) 0.4704(6) 0.101(4) Uani 0.3 1 d D . P C 2
H27D H 0.7811 0.5926 0.4696 0.151 Uiso 0.3 1 calc R U P C 2
H27E H 0.8397 0.4883 0.4648 0.151 Uiso 0.3 1 calc R U P C 2
H27F H 0.7596 0.4927 0.4984 0.151 Uiso 0.3 1 calc R U P C 2
C28 C 0.7932(6) 0.4504(8) 0.4001(3) 0.117(3) Uani 1 1 d D . . . .
H28A H 0.7674 0.4353 0.3723 0.175 Uiso 1 1 calc R U . . .
H28B H 0.8287 0.3903 0.4096 0.175 Uiso 1 1 calc R U . . .
H28C H 0.8318 0.5123 0.3982 0.175 Uiso 1 1 calc R U . . .
C29 C 0.5145(4) 0.2342(4) 0.52513(17) 0.0520(12) Uani 1 1 d . . . . .
H29 H 0.5287 0.2890 0.5467 0.062 Uiso 1 1 calc R U . . .
C30 C 0.4120(5) 0.2335(7) 0.5172(3) 0.103(3) Uani 1 1 d . . . . .
H30A H 0.3971 0.1780 0.4970 0.154 Uiso 1 1 calc R U . . .
H30B H 0.3935 0.3014 0.5057 0.154 Uiso 1 1 calc R U . . .
H30C H 0.3806 0.2207 0.5439 0.154 Uiso 1 1 calc R U . . .
C31 C 0.5406(5) 0.1287(4) 0.5425(2) 0.0768(19) Uani 1 1 d . . . . .
H31A H 0.5243 0.0740 0.5221 0.115 Uiso 1 1 calc R U . . .
H31B H 0.5093 0.1164 0.5692 0.115 Uiso 1 1 calc R U . . .
H31C H 0.6054 0.1269 0.5473 0.115 Uiso 1 1 calc R U . . .
N1 N 0.69010(19) 0.6006(2) 0.62739(9) 0.0250(6) Uani 1 1 d . . . . .
N2 N 0.6705(2) 0.4946(2) 0.57480(10) 0.0307(7) Uani 1 1 d . . . . .
N3 N 0.80063(17) 0.5923(2) 0.67555(8) 0.0208(5) Uani 1 1 d . . . . .
N4 N 0.6227(3) 0.4259(3) 0.51260(11) 0.0403(8) Uani 1 1 d . . . . .
Cl1 Cl 0.97296(6) 0.43436(7) 0.66766(3) 0.03418(19) Uani 1 1 d . . . . .
Pt1 Pt 0.84190(2) 0.47339(2) 0.63177(2) 0.02216(4) Uani 1 1 d . . . . .
H1 H 0.859(3) 0.397(4) 0.5969(14) 0.037(12) Uiso 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
C1 N2 1.367(4) . ?
C1 N1 1.383(4) . ?
C1 Pt1 1.941(3) . ?
C2 C3 1.338(6) . ?
C2 N1 1.398(4) . ?
C2 H2 0.9500 . ?
C3 N2 1.415(5) . ?
C3 H3 0.9500 . ?
C4 N3 1.273(4) . ?
C4 N1 1.407(4) . ?
C4 C5 1.484(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C11 1.403(5) . ?
C6 C7 1.405(5) . ?
C6 N3 1.447(4) . ?
C7 C8 1.403(5) . ?
C7 C12 1.515(5) . ?
C8 C9 1.372(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.400(5) . ?
C10 H10 0.9500 . ?
C11 C15 1.513(5) . ?
C12 C14 1.524(5) . ?
C12 C13 1.527(5) . ?
C12 H12 1.0000 . ?
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 C17 1.530(6) . ?
C15 C16 1.535(5) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N4 1.250(5) . ?
C18 N2 1.444(5) . ?
C18 C19 1.500(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.395(6) . ?
C20 C21 1.405(7) . ?
C20 N4 1.431(5) . ?
C21 C22 1.394(8) . ?
C21 C26 1.517(8) . ?
C22 C23 1.358(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.359(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(6) . ?
C24 H24 0.9500 . ?
C25 C29 1.526(7) . ?
C26 C27 1.422(11) . ?
C26 C27B 1.62(2) . ?
C26 C28 1.673(11) . ?
C26 H26 1.0000 . ?
C26 H26B 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.506(7) . ?
C29 C30 1.552(8) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N3 Pt1 2.145(3) . ?
Cl1 Pt1 2.3170(9) . ?
Pt1 H1 1.49(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 103.8(3) . . ?
N2 C1 Pt1 142.9(3) . . ?
N1 C1 Pt1 113.3(2) . . ?
C3 C2 N1 106.1(3) . . ?
C3 C2 H2 127.0 . . ?
N1 C2 H2 127.0 . . ?
C2 C3 N2 108.1(3) . . ?
C2 C3 H3 126.0 . . ?
N2 C3 H3 126.0 . . ?
N3 C4 N1 114.0(3) . . ?
N3 C4 C5 128.2(3) . . ?
N1 C4 C5 117.8(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C11 C6 C7 123.2(3) . . ?
C11 C6 N3 119.1(3) . . ?
C7 C6 N3 117.7(3) . . ?
C8 C7 C6 116.6(3) . . ?
C8 C7 C12 121.2(3) . . ?
C6 C7 C12 122.2(3) . . ?
C9 C8 C7 121.6(3) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 121.2(3) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C6 116.9(3) . . ?
C10 C11 C15 120.6(3) . . ?
C6 C11 C15 122.5(3) . . ?
C7 C12 C14 112.4(3) . . ?
C7 C12 C13 111.0(3) . . ?
C14 C12 C13 111.0(3) . . ?
C7 C12 H12 107.4 . . ?
C14 C12 H12 107.4 . . ?
C13 C12 H12 107.4 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 C17 112.4(3) . . ?
C11 C15 C16 110.3(3) . . ?
C17 C15 C16 110.2(3) . . ?
C11 C15 H15 107.9 . . ?
C17 C15 H15 107.9 . . ?
C16 C15 H15 107.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C18 N2 114.5(4) . . ?
N4 C18 C19 128.0(4) . . ?
N2 C18 C19 117.3(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 120.8(4) . . ?
C25 C20 N4 120.8(4) . . ?
C21 C20 N4 118.1(4) . . ?
C22 C21 C20 117.9(5) . . ?
C22 C21 C26 121.3(5) . . ?
C20 C21 C26 120.7(5) . . ?
C23 C22 C21 121.8(5) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C22 C23 C24 119.8(5) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C25 121.9(5) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 H24 119.1 . . ?
C20 C25 C24 117.8(5) . . ?
C20 C25 C29 123.0(4) . . ?
C24 C25 C29 119.2(4) . . ?
C27 C26 C21 113.4(6) . . ?
C21 C26 C27B 122.3(9) . . ?
C27 C26 C28 101.4(7) . . ?
C21 C26 C28 108.6(7) . . ?
C27B C26 C28 92.8(9) . . ?
C27 C26 H26 111.0 . . ?
C21 C26 H26 111.0 . . ?
C28 C26 H26 111.0 . . ?
C21 C26 H26B 110.5 . . ?
C27B C26 H26B 110.5 . . ?
C28 C26 H26B 110.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C27B H27D 109.5 . . ?
C26 C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C26 C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C25 112.6(5) . . ?
C31 C29 C30 108.0(5) . . ?
C25 C29 C30 109.6(5) . . ?
C31 C29 H29 108.8 . . ?
C25 C29 H29 108.8 . . ?
C30 C29 H29 108.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C1 N1 C2 111.8(3) . . ?
C1 N1 C4 119.5(3) . . ?
C2 N1 C4 128.5(3) . . ?
C1 N2 C3 110.2(3) . . ?
C1 N2 C18 129.8(3) . . ?
C3 N2 C18 119.9(3) . . ?
C4 N3 C6 119.4(3) . . ?
C4 N3 Pt1 113.7(2) . . ?
C6 N3 Pt1 126.8(2) . . ?
C18 N4 C20 121.4(4) . . ?
C1 Pt1 N3 79.10(12) . . ?
C1 Pt1 Cl1 173.57(11) . . ?
N3 Pt1 Cl1 94.54(8) . . ?
C1 Pt1 H1 91.9(17) . . ?
N3 Pt1 H1 170.8(17) . . ?
Cl1 Pt1 H1 94.5(16) . . ?

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
N1 C2 C3 N2 0.3(4) . . . . ?
C11 C6 C7 C8 2.2(5) . . . . ?
N3 C6 C7 C8 -178.4(3) . . . . ?
C11 C6 C7 C12 -179.1(3) . . . . ?
N3 C6 C7 C12 0.3(5) . . . . ?
C6 C7 C8 C9 1.6(5) . . . . ?
C12 C7 C8 C9 -177.2(3) . . . . ?
C7 C8 C9 C10 -3.8(6) . . . . ?
C8 C9 C10 C11 2.4(6) . . . . ?
C9 C10 C11 C6 1.2(5) . . . . ?
C9 C10 C11 C15 -177.5(4) . . . . ?
C7 C6 C11 C10 -3.6(5) . . . . ?
N3 C6 C11 C10 177.0(3) . . . . ?
C7 C6 C11 C15 175.1(3) . . . . ?
N3 C6 C11 C15 -4.3(5) . . . . ?
C8 C7 C12 C14 -45.0(5) . . . . ?
C6 C7 C12 C14 136.4(3) . . . . ?
C8 C7 C12 C13 80.0(4) . . . . ?
C6 C7 C12 C13 -98.6(4) . . . . ?
C10 C11 C15 C17 -53.5(5) . . . . ?
C6 C11 C15 C17 127.9(4) . . . . ?
C10 C11 C15 C16 69.9(5) . . . . ?
C6 C11 C15 C16 -108.7(4) . . . . ?
C25 C20 C21 C22 -0.1(7) . . . . ?
N4 C20 C21 C22 -174.2(4) . . . . ?
C25 C20 C21 C26 176.9(5) . . . . ?
N4 C20 C21 C26 2.7(7) . . . . ?
C20 C21 C22 C23 0.6(8) . . . . ?
C26 C21 C22 C23 -176.4(6) . . . . ?
C21 C22 C23 C24 -0.9(9) . . . . ?
C22 C23 C24 C25 0.7(8) . . . . ?
C21 C20 C25 C24 -0.1(7) . . . . ?
N4 C20 C25 C24 173.9(4) . . . . ?
C21 C20 C25 C29 -177.9(4) . . . . ?
N4 C20 C25 C29 -3.9(6) . . . . ?
C23 C24 C25 C20 -0.3(7) . . . . ?
C23 C24 C25 C29 177.6(5) . . . . ?
C22 C21 C26 C27 77.5(10) . . . . ?
C20 C21 C26 C27 -99.4(9) . . . . ?
C22 C21 C26 C27B -140.3(11) . . . . ?
C20 C21 C26 C27B 42.9(13) . . . . ?
C22 C21 C26 C28 -34.4(8) . . . . ?
C20 C21 C26 C28 148.7(5) . . . . ?
C20 C25 C29 C31 -122.4(5) . . . . ?
C24 C25 C29 C31 59.8(6) . . . . ?
C20 C25 C29 C30 117.3(6) . . . . ?
C24 C25 C29 C30 -60.5(7) . . . . ?
N2 C1 N1 C2 -1.1(4) . . . . ?
Pt1 C1 N1 C2 177.3(2) . . . . ?
N2 C1 N1 C4 175.6(3) . . . . ?
Pt1 C1 N1 C4 -6.0(4) . . . . ?
C3 C2 N1 C1 0.5(4) . . . . ?
C3 C2 N1 C4 -175.9(3) . . . . ?
N3 C4 N1 C1 1.5(4) . . . . ?
C5 C4 N1 C1 -178.7(3) . . . . ?
N3 C4 N1 C2 177.6(3) . . . . ?
C5 C4 N1 C2 -2.5(5) . . . . ?
N1 C1 N2 C3 1.3(4) . . . . ?
Pt1 C1 N2 C3 -176.3(4) . . . . ?
N1 C1 N2 C18 -176.4(4) . . . . ?
Pt1 C1 N2 C18 6.0(7) . . . . ?
C2 C3 N2 C1 -1.1(5) . . . . ?
C2 C3 N2 C18 176.9(4) . . . . ?
N4 C18 N2 C1 -163.8(4) . . . . ?
C19 C18 N2 C1 21.3(6) . . . . ?
N4 C18 N2 C3 18.7(6) . . . . ?
C19 C18 N2 C3 -156.3(4) . . . . ?
N1 C4 N3 C6 -179.7(3) . . . . ?
C5 C4 N3 C6 0.5(5) . . . . ?
N1 C4 N3 Pt1 3.3(4) . . . . ?
C5 C4 N3 Pt1 -176.5(3) . . . . ?
C11 C6 N3 C4 -86.8(4) . . . . ?
C7 C6 N3 C4 93.8(4) . . . . ?
C11 C6 N3 Pt1 89.8(3) . . . . ?
C7 C6 N3 Pt1 -89.6(3) . . . . ?
N2 C18 N4 C20 -179.4(4) . . . . ?
C19 C18 N4 C20 -5.1(7) . . . . ?
C25 C20 N4 C18 78.9(6) . . . . ?
C21 C20 N4 C18 -106.9(5) . . . . ?

_refine_diff_density_max         1.579
_refine_diff_density_min         -1.792
_refine_diff_density_rms         0.130

####################################################################### 
# 
# 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_dafh200108
_database_code_depnum_ccdc_archive 'CCDC 2093083'
_audit_update_record             
;
2021-06-29 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H49 Cl N4 O4 Pt, 2(C6 H6)'
_chemical_formula_sum            'C49 H61 Cl N4 O4 Pt'
_chemical_formula_weight         1000.55

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+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                   64.377(3)
_cell_length_b                   9.8222(4)
_cell_length_c                   14.9522(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.6410(10)
_cell_angle_gamma                90
_cell_volume                     9260.1(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9441
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      29.98

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_F_000             4080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.135
_shelx_estimated_absorpt_T_min   0.573
_shelx_estimated_absorpt_T_max   0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6850
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Mo-ImuS 3.0 microfocus tube'
_diffrn_measurement_device_type  'Bruker PHOTON-III CPAD'
_diffrn_measurement_method       'φ and ω shuterless scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            190214
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -90
_diffrn_reflns_limit_h_max       90
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.289
_diffrn_reflns_theta_max         30.066
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13561
_reflns_number_gt                12260
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0080P)²+21.2022P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         13561
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0196
_refine_ls_wR_factor_ref         0.0400
_refine_ls_wR_factor_gt          0.0379
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000

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
C1 C 0.61301(3) 0.56947(17) 0.44215(10) 0.0135(3) Uani 1 1 d . . . . .
C2 C 0.61693(3) 0.71329(18) 0.56602(11) 0.0173(3) Uani 1 1 d . . . . .
H2 H 0.6140 0.7611 0.6173 0.021 Uiso 1 1 calc R U . . .
C3 C 0.63439(3) 0.72203(18) 0.53041(11) 0.0161(3) Uani 1 1 d . . . . .
H3 H 0.6464 0.7777 0.5525 0.019 Uiso 1 1 calc R U . . .
C4 C 0.58398(3) 0.57036(17) 0.51747(11) 0.0149(3) Uani 1 1 d . . . . .
C5 C 0.57405(3) 0.6279(2) 0.59076(12) 0.0214(4) Uani 1 1 d . . . . .
H5A H 0.5603 0.5839 0.5891 0.032 Uiso 1 1 calc R U . . .
H5B H 0.5720 0.7261 0.5812 0.032 Uiso 1 1 calc R U . . .
H5C H 0.5833 0.6117 0.6503 0.032 Uiso 1 1 calc R U . . .
C6 C 0.55501(3) 0.43301(17) 0.45506(11) 0.0141(3) Uani 1 1 d . . . . .
C7 C 0.55230(3) 0.30501(18) 0.49305(11) 0.0168(3) Uani 1 1 d . . . . .
C8 C 0.53150(3) 0.2640(2) 0.49113(13) 0.0233(4) Uani 1 1 d . . . . .
H8 H 0.5290 0.1789 0.5173 0.028 Uiso 1 1 calc R U . . .
C9 C 0.51443(3) 0.3444(2) 0.45200(14) 0.0255(4) Uani 1 1 d . . . . .
H9 H 0.5004 0.3142 0.4518 0.031 Uiso 1 1 calc R U . . .
C10 C 0.51768(3) 0.4685(2) 0.41323(13) 0.0222(4) Uani 1 1 d . . . . .
H10 H 0.5058 0.5217 0.3855 0.027 Uiso 1 1 calc R U . . .
C11 C 0.53812(3) 0.51672(18) 0.41418(12) 0.0174(3) Uani 1 1 d . . . . .
C12 C 0.57122(3) 0.21691(19) 0.53426(12) 0.0195(3) Uani 1 1 d . . . . .
H12 H 0.5829 0.2386 0.5013 0.023 Uiso 1 1 calc R U . . .
C13 C 0.57946(3) 0.2493(2) 0.63554(13) 0.0305(4) Uani 1 1 d . . . . .
H13A H 0.5826 0.3468 0.6427 0.046 Uiso 1 1 calc R U . . .
H13B H 0.5924 0.1968 0.6582 0.046 Uiso 1 1 calc R U . . .
H13C H 0.5686 0.2250 0.6704 0.046 Uiso 1 1 calc R U . . .
C14 C 0.56658(3) 0.0639(2) 0.52212(14) 0.0276(4) Uani 1 1 d . . . . .
H14A H 0.5562 0.0373 0.5589 0.041 Uiso 1 1 calc R U . . .
H14B H 0.5797 0.0124 0.5421 0.041 Uiso 1 1 calc R U . . .
H14C H 0.5608 0.0445 0.4576 0.041 Uiso 1 1 calc R U . . .
C15 C 0.54119(3) 0.65293(19) 0.36951(13) 0.0228(4) Uani 1 1 d . . . . .
H15 H 0.5566 0.6763 0.3857 0.027 Uiso 1 1 calc R U . . .
C16 C 0.53494(4) 0.6425(2) 0.26556(15) 0.0367(5) Uani 1 1 d . . . . .
H16A H 0.5440 0.5753 0.2436 0.055 Uiso 1 1 calc R U . . .
H16B H 0.5367 0.7315 0.2384 0.055 Uiso 1 1 calc R U . . .
H16C H 0.5201 0.6141 0.2480 0.055 Uiso 1 1 calc R U . . .
C17 C 0.52883(4) 0.7686(2) 0.40395(16) 0.0339(5) Uani 1 1 d . . . . .
H17A H 0.5136 0.7518 0.3847 0.051 Uiso 1 1 calc R U . . .
H17B H 0.5324 0.8553 0.3784 0.051 Uiso 1 1 calc R U . . .
H17C H 0.5326 0.7725 0.4708 0.051 Uiso 1 1 calc R U . . .
C18 C 0.64791(3) 0.63248(16) 0.39863(11) 0.0136(3) Uani 1 1 d . . . . .
C19 C 0.64029(3) 0.67701(19) 0.30198(11) 0.0179(3) Uani 1 1 d . . . . .
H19A H 0.6368 0.7743 0.3007 0.027 Uiso 1 1 calc R U . . .
H19B H 0.6276 0.6250 0.2747 0.027 Uiso 1 1 calc R U . . .
H19C H 0.6514 0.6609 0.2672 0.027 Uiso 1 1 calc R U . . .
C20 C 0.68473(3) 0.62548(17) 0.40350(11) 0.0152(3) Uani 1 1 d . . . . .
C21 C 0.69856(3) 0.73238(17) 0.43870(12) 0.0166(3) Uani 1 1 d . . . . .
C22 C 0.71739(3) 0.7458(2) 0.40734(13) 0.0238(4) Uani 1 1 d . . . . .
H22 H 0.7269 0.8173 0.4303 0.029 Uiso 1 1 calc R U . . .
C23 C 0.72244(3) 0.6565(2) 0.34316(14) 0.0270(4) Uani 1 1 d . . . . .
H23 H 0.7352 0.6679 0.3216 0.032 Uiso 1 1 calc R U . . .
C24 C 0.70880(3) 0.5507(2) 0.31056(13) 0.0233(4) Uani 1 1 d . . . . .
H24 H 0.7125 0.4896 0.2670 0.028 Uiso 1 1 calc R U . . .
C25 C 0.68978(3) 0.53175(18) 0.34010(12) 0.0173(3) Uani 1 1 d . . . . .
C26 C 0.69252(3) 0.83228(18) 0.50671(12) 0.0193(3) Uani 1 1 d . . . . .
H26 H 0.6846 0.7806 0.5466 0.023 Uiso 1 1 calc R U . . .
C27 C 0.71151(3) 0.8993(2) 0.56859(16) 0.0341(5) Uani 1 1 d . . . . .
H27A H 0.7212 0.8288 0.5990 0.051 Uiso 1 1 calc R U . . .
H27B H 0.7066 0.9549 0.6146 0.051 Uiso 1 1 calc R U . . .
H27C H 0.7189 0.9572 0.5319 0.051 Uiso 1 1 calc R U . . .
C28 C 0.67767(3) 0.9420(2) 0.45702(14) 0.0273(4) Uani 1 1 d . . . . .
H28A H 0.6852 0.9964 0.4187 0.041 Uiso 1 1 calc R U . . .
H28B H 0.6730 1.0013 0.5019 0.041 Uiso 1 1 calc R U . . .
H28C H 0.6653 0.8987 0.4186 0.041 Uiso 1 1 calc R U . . .
C29 C 0.67576(3) 0.40979(18) 0.30903(13) 0.0204(3) Uani 1 1 d . . . . .
H29 H 0.6608 0.4373 0.3089 0.025 Uiso 1 1 calc R U . . .
C30 C 0.67663(4) 0.3611(2) 0.21282(14) 0.0344(5) Uani 1 1 d . . . . .
H30A H 0.6735 0.4373 0.1700 0.052 Uiso 1 1 calc R U . . .
H30B H 0.6662 0.2886 0.1947 0.052 Uiso 1 1 calc R U . . .
H30C H 0.6908 0.3260 0.2120 0.052 Uiso 1 1 calc R U . . .
C31 C 0.68125(4) 0.2927(2) 0.37616(14) 0.0315(5) Uani 1 1 d . . . . .
H31A H 0.6956 0.2596 0.3750 0.047 Uiso 1 1 calc R U . . .
H31B H 0.6710 0.2187 0.3589 0.047 Uiso 1 1 calc R U . . .
H31C H 0.6807 0.3243 0.4378 0.047 Uiso 1 1 calc R U . . .
C32 C 0.57698(3) 0.26104(17) 0.30872(10) 0.0130(3) Uani 1 1 d . . . . .
C33 C 0.55594(3) 0.25681(18) 0.28030(11) 0.0161(3) Uani 1 1 d . . . . .
H33 H 0.5480 0.3372 0.2847 0.019 Uiso 1 1 calc R U . . .
C34 C 0.54446(3) 0.13252(19) 0.24231(12) 0.0184(3) Uani 1 1 d . . . . .
C35 C 0.51221(4) 0.0520(2) 0.15320(18) 0.0397(6) Uani 1 1 d . . . . .
H35A H 0.5168 0.0253 0.0970 0.060 Uiso 1 1 calc R U . . .
H35B H 0.4972 0.0788 0.1388 0.060 Uiso 1 1 calc R U . . .
H35C H 0.5140 -0.0250 0.1957 0.060 Uiso 1 1 calc R U . . .
C36 C 0.58956(3) 0.13917(17) 0.29157(11) 0.0160(3) Uani 1 1 d . . . . .
C37 C 0.61106(4) -0.0393(2) 0.36095(16) 0.0419(6) Uani 1 1 d . . . . .
H37A H 0.6026 -0.1093 0.3234 0.063 Uiso 1 1 calc R U . . .
H37B H 0.6170 -0.0768 0.4214 0.063 Uiso 1 1 calc R U . . .
H37C H 0.6226 -0.0098 0.3315 0.063 Uiso 1 1 calc R U . . .
C38 C 0.74146(4) 0.0472(3) 0.31955(17) 0.0416(6) Uani 1 1 d . . . . .
H38 H 0.7313 -0.0108 0.2831 0.050 Uiso 1 1 calc R U . . .
C39 C 0.73824(4) 0.1865(3) 0.31793(17) 0.0418(6) Uani 1 1 d . . . . .
H39 H 0.7259 0.2240 0.2806 0.050 Uiso 1 1 calc R U . . .
C40 C 0.75297(5) 0.2711(3) 0.37052(17) 0.0480(7) Uani 1 1 d . . . . .
H40 H 0.7508 0.3668 0.3695 0.058 Uiso 1 1 calc R U . . .
C41 C 0.77086(5) 0.2161(3) 0.42442(18) 0.0487(7) Uani 1 1 d . . . . .
H41 H 0.7811 0.2741 0.4602 0.058 Uiso 1 1 calc R U . . .
C42 C 0.77399(4) 0.0766(3) 0.42676(17) 0.0399(5) Uani 1 1 d . . . . .
H42 H 0.7863 0.0389 0.4648 0.048 Uiso 1 1 calc R U . . .
C43 C 0.75937(4) -0.0075(3) 0.37413(17) 0.0387(5) Uani 1 1 d . . . . .
H43 H 0.7616 -0.1031 0.3753 0.046 Uiso 1 1 calc R U . . .
C44 C 0.65637(8) 0.9590(5) 0.1865(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H44 H 0.6579 1.0357 0.2260 0.041 Uiso 0.6 1 calc R U P A 1
C45 C 0.67387(7) 0.8711(5) 0.1868(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H45 H 0.6871 0.8868 0.2271 0.041 Uiso 0.6 1 calc R U P A 1
C46 C 0.67121(7) 0.7607(5) 0.1264(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H46 H 0.6826 0.6997 0.1256 0.041 Uiso 0.6 1 calc R U P A 1
C47 C 0.65189(7) 0.7410(5) 0.0678(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H47 H 0.6501 0.6673 0.0258 0.041 Uiso 0.6 1 calc R U P A 1
C48 C 0.63513(7) 0.8276(5) 0.0701(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H48 H 0.6219 0.8128 0.0296 0.041 Uiso 0.6 1 calc R U P A 1
C49 C 0.63731(8) 0.9341(5) 0.1297(3) 0.0344(3) Uani 0.6 1 d . . P A 1
H49 H 0.6255 0.9914 0.1317 0.041 Uiso 0.6 1 calc R U P A 1
C44B C 0.64786(11) 0.9765(7) 0.1678(4) 0.0344(3) Uani 0.4 1 d . . P B 2
H44B H 0.6433 1.0562 0.1943 0.041 Uiso 0.4 1 calc R U P B 2
C45B C 0.66839(12) 0.9309(7) 0.1961(4) 0.0344(3) Uani 0.4 1 d . . P B 2
H45B H 0.6780 0.9803 0.2410 0.041 Uiso 0.4 1 calc R U P B 2
C46B C 0.67516(10) 0.8112(8) 0.1584(5) 0.0344(3) Uani 0.4 1 d . . P B 2
H46B H 0.6893 0.7794 0.1768 0.041 Uiso 0.4 1 calc R U P B 2
C47B C 0.66000(11) 0.7384(7) 0.0914(4) 0.0344(3) Uani 0.4 1 d . . P B 2
H47B H 0.6638 0.6555 0.0662 0.041 Uiso 0.4 1 calc R U P B 2
C48B C 0.63970(12) 0.7918(7) 0.0644(5) 0.0344(3) Uani 0.4 1 d . . P B 2
H48B H 0.6296 0.7465 0.0189 0.041 Uiso 0.4 1 calc R U P B 2
C49B C 0.63417(11) 0.9083(8) 0.1026(4) 0.0344(3) Uani 0.4 1 d . . P B 2
H49B H 0.6202 0.9430 0.0829 0.041 Uiso 0.4 1 calc R U P B 2
N1 N 0.60396(2) 0.61851(14) 0.51132(9) 0.0139(3) Uani 1 1 d . . . . .
N2 N 0.63183(2) 0.63447(14) 0.45477(9) 0.0133(3) Uani 1 1 d . . . . .
N3 N 0.57635(2) 0.48012(14) 0.45693(9) 0.0130(3) Uani 1 1 d . . . . .
N4 N 0.66639(2) 0.60962(14) 0.44317(10) 0.0149(3) Uani 1 1 d . . . . .
O1 O 0.55066(2) 0.01670(14) 0.25136(10) 0.0281(3) Uani 1 1 d . . . . .
O2 O 0.52486(2) 0.16487(15) 0.19447(11) 0.0328(3) Uani 1 1 d . . . . .
O3 O 0.59317(2) 0.10568(13) 0.21866(8) 0.0207(3) Uani 1 1 d . . . . .
O4 O 0.59775(2) 0.07532(14) 0.37046(9) 0.0246(3) Uani 1 1 d . . . . .
Cl1 Cl 0.62094(2) 0.36288(5) 0.29007(3) 0.02899(11) Uani 1 1 d . . . . .
Pt1 Pt 0.59566(2) 0.42052(2) 0.37085(2) 0.01190(2) 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
C1 N2 1.348(2) . ?
C1 N1 1.373(2) . ?
C1 Pt1 2.0112(16) . ?
C2 C3 1.340(2) . ?
C2 N1 1.399(2) . ?
C2 H2 0.9500 . ?
C3 N2 1.404(2) . ?
C3 H3 0.9500 . ?
C4 N3 1.291(2) . ?
C4 N1 1.391(2) . ?
C4 C5 1.487(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C11 1.402(2) . ?
C6 C7 1.405(2) . ?
C6 N3 1.444(2) . ?
C7 C8 1.393(2) . ?
C7 C12 1.520(2) . ?
C8 C9 1.383(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.396(2) . ?
C10 H10 0.9500 . ?
C11 C15 1.526(3) . ?
C12 C13 1.534(3) . ?
C12 C14 1.536(3) . ?
C12 H12 1.0000 . ?
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 1.528(3) . ?
C15 C17 1.534(3) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N4 1.261(2) . ?
C18 N2 1.459(2) . ?
C18 C19 1.495(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.406(2) . ?
C20 C21 1.408(2) . ?
C20 N4 1.433(2) . ?
C21 C22 1.392(2) . ?
C21 C26 1.519(2) . ?
C22 C23 1.387(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.396(2) . ?
C24 H24 0.9500 . ?
C25 C29 1.515(2) . ?
C26 C27 1.525(3) . ?
C26 C28 1.530(3) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.521(3) . ?
C29 C30 1.528(3) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.336(2) . ?
C32 C36 1.496(2) . ?
C32 Pt1 2.0764(16) . ?
C33 C34 1.480(2) . ?
C33 H33 0.9500 . ?
C34 O1 1.204(2) . ?
C34 O2 1.357(2) . ?
C35 O2 1.439(2) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 O3 1.205(2) . ?
C36 O4 1.346(2) . ?
C37 O4 1.439(2) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C43 1.380(3) . ?
C38 C39 1.383(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.381(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.376(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.385(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.374(3) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C49 1.366(6) . ?
C44 C45 1.419(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.400(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.379(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.363(6) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C44B C49B 1.352(9) . ?
C44B C45B 1.379(9) . ?
C44B H44B 0.9500 . ?
C45B C46B 1.410(10) . ?
C45B H45B 0.9500 . ?
C46B C47B 1.439(9) . ?
C46B H46B 0.9500 . ?
C47B C48B 1.390(9) . ?
C47B H47B 0.9500 . ?
C48B C49B 1.359(10) . ?
C48B H48B 0.9500 . ?
C49B H49B 0.9500 . ?
N3 Pt1 2.0469(13) . ?
Cl1 Pt1 2.2852(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 103.56(13) . . ?
N2 C1 Pt1 143.70(12) . . ?
N1 C1 Pt1 112.31(11) . . ?
C3 C2 N1 105.06(14) . . ?
C3 C2 H2 127.5 . . ?
N1 C2 H2 127.5 . . ?
C2 C3 N2 108.01(14) . . ?
C2 C3 H3 126.0 . . ?
N2 C3 H3 126.0 . . ?
N3 C4 N1 114.41(14) . . ?
N3 C4 C5 128.19(15) . . ?
N1 C4 C5 117.40(15) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C11 C6 C7 123.53(15) . . ?
C11 C6 N3 118.15(15) . . ?
C7 C6 N3 118.32(15) . . ?
C8 C7 C6 116.62(16) . . ?
C8 C7 C12 122.15(16) . . ?
C6 C7 C12 121.23(15) . . ?
C9 C8 C7 121.45(17) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 120.37(17) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 121.12(17) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C6 116.88(16) . . ?
C10 C11 C15 119.89(16) . . ?
C6 C11 C15 123.20(15) . . ?
C7 C12 C13 111.81(15) . . ?
C7 C12 C14 112.84(15) . . ?
C13 C12 C14 109.87(16) . . ?
C7 C12 H12 107.3 . . ?
C13 C12 H12 107.3 . . ?
C14 C12 H12 107.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 C16 110.84(16) . . ?
C11 C15 C17 112.37(16) . . ?
C16 C15 C17 110.05(17) . . ?
C11 C15 H15 107.8 . . ?
C16 C15 H15 107.8 . . ?
C17 C15 H15 107.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C18 N2 113.71(14) . . ?
N4 C18 C19 130.82(15) . . ?
N2 C18 C19 114.81(14) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 121.71(16) . . ?
C25 C20 N4 122.00(15) . . ?
C21 C20 N4 115.97(15) . . ?
C22 C21 C20 118.22(16) . . ?
C22 C21 C26 121.47(16) . . ?
C20 C21 C26 120.28(15) . . ?
C23 C22 C21 121.01(17) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 119.87(17) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 121.59(17) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
C24 C25 C20 117.57(16) . . ?
C24 C25 C29 120.99(16) . . ?
C20 C25 C29 121.34(15) . . ?
C21 C26 C27 113.76(16) . . ?
C21 C26 C28 110.44(15) . . ?
C27 C26 C28 109.66(16) . . ?
C21 C26 H26 107.6 . . ?
C27 C26 H26 107.6 . . ?
C28 C26 H26 107.6 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 C31 110.56(15) . . ?
C25 C29 C30 113.80(16) . . ?
C31 C29 C30 109.68(17) . . ?
C25 C29 H29 107.5 . . ?
C31 C29 H29 107.5 . . ?
C30 C29 H29 107.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C36 118.01(15) . . ?
C33 C32 Pt1 128.62(13) . . ?
C36 C32 Pt1 113.32(11) . . ?
C32 C33 C34 122.93(16) . . ?
C32 C33 H33 118.5 . . ?
C34 C33 H33 118.5 . . ?
O1 C34 O2 122.18(17) . . ?
O1 C34 C33 127.42(17) . . ?
O2 C34 C33 110.40(15) . . ?
O2 C35 H35A 109.5 . . ?
O2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O3 C36 O4 123.53(16) . . ?
O3 C36 C32 125.68(15) . . ?
O4 C36 C32 110.64(14) . . ?
O4 C37 H37A 109.5 . . ?
O4 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O4 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C43 C38 C39 120.0(2) . . ?
C43 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C40 C39 C38 120.1(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 119.6(3) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C40 C41 C42 120.3(3) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C43 C42 C41 120.0(2) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C38 119.9(2) . . ?
C42 C43 H43 120.0 . . ?
C38 C43 H43 120.0 . . ?
C49 C44 C45 120.4(4) . . ?
C49 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 118.4(4) . . ?
C46 C45 H45 120.8 . . ?
C44 C45 H45 120.8 . . ?
C47 C46 C45 119.7(4) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C48 C47 C46 120.4(4) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C49 C48 C47 120.8(5) . . ?
C49 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C48 C49 C44 120.3(5) . . ?
C48 C49 H49 119.9 . . ?
C44 C49 H49 119.9 . . ?
C49B C44B C45B 120.3(7) . . ?
C49B C44B H44B 119.9 . . ?
C45B C44B H44B 119.9 . . ?
C44B C45B C46B 120.2(6) . . ?
C44B C45B H45B 119.9 . . ?
C46B C45B H45B 119.9 . . ?
C45B C46B C47B 118.1(6) . . ?
C45B C46B H46B 120.9 . . ?
C47B C46B H46B 120.9 . . ?
C48B C47B C46B 118.7(7) . . ?
C48B C47B H47B 120.6 . . ?
C46B C47B H47B 120.6 . . ?
C49B C48B C47B 120.4(7) . . ?
C49B C48B H48B 119.8 . . ?
C47B C48B H48B 119.8 . . ?
C44B C49B C48B 122.2(7) . . ?
C44B C49B H49B 118.9 . . ?
C48B C49B H49B 118.9 . . ?
C1 N1 C4 117.99(14) . . ?
C1 N1 C2 112.33(14) . . ?
C4 N1 C2 129.67(14) . . ?
C1 N2 C3 111.04(13) . . ?
C1 N2 C18 129.43(14) . . ?
C3 N2 C18 119.35(13) . . ?
C4 N3 C6 117.35(14) . . ?
C4 N3 Pt1 116.34(11) . . ?
C6 N3 Pt1 126.30(10) . . ?
C18 N4 C20 122.04(14) . . ?
C34 O2 C35 115.54(16) . . ?
C36 O4 C37 114.44(15) . . ?
C1 Pt1 N3 78.55(6) . . ?
C1 Pt1 C32 174.60(6) . . ?
N3 Pt1 C32 97.29(6) . . ?
C1 Pt1 Cl1 94.68(5) . . ?
N3 Pt1 Cl1 172.25(4) . . ?
C32 Pt1 Cl1 89.22(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
N1 C2 C3 N2 0.53(19) . . . . ?
C11 C6 C7 C8 -1.9(2) . . . . ?
N3 C6 C7 C8 179.11(15) . . . . ?
C11 C6 C7 C12 178.33(16) . . . . ?
N3 C6 C7 C12 -0.7(2) . . . . ?
C6 C7 C8 C9 1.3(3) . . . . ?
C12 C7 C8 C9 -178.91(18) . . . . ?
C7 C8 C9 C10 0.2(3) . . . . ?
C8 C9 C10 C11 -1.3(3) . . . . ?
C9 C10 C11 C6 0.7(3) . . . . ?
C9 C10 C11 C15 179.02(18) . . . . ?
C7 C6 C11 C10 0.9(3) . . . . ?
N3 C6 C11 C10 179.90(15) . . . . ?
C7 C6 C11 C15 -177.34(16) . . . . ?
N3 C6 C11 C15 1.7(2) . . . . ?
C8 C7 C12 C13 -91.6(2) . . . . ?
C6 C7 C12 C13 88.2(2) . . . . ?
C8 C7 C12 C14 32.8(2) . . . . ?
C6 C7 C12 C14 -147.38(16) . . . . ?
C10 C11 C15 C16 -71.0(2) . . . . ?
C6 C11 C15 C16 107.2(2) . . . . ?
C10 C11 C15 C17 52.6(2) . . . . ?
C6 C11 C15 C17 -129.19(19) . . . . ?
C25 C20 C21 C22 1.6(3) . . . . ?
N4 C20 C21 C22 175.30(16) . . . . ?
C25 C20 C21 C26 179.64(16) . . . . ?
N4 C20 C21 C26 -6.7(2) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C26 C21 C22 C23 -178.02(18) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
C22 C23 C24 C25 0.6(3) . . . . ?
C23 C24 C25 C20 0.9(3) . . . . ?
C23 C24 C25 C29 -175.56(18) . . . . ?
C21 C20 C25 C24 -2.1(3) . . . . ?
N4 C20 C25 C24 -175.36(16) . . . . ?
C21 C20 C25 C29 174.44(16) . . . . ?
N4 C20 C25 C29 1.1(3) . . . . ?
C22 C21 C26 C27 -27.4(3) . . . . ?
C20 C21 C26 C27 154.60(18) . . . . ?
C22 C21 C26 C28 96.4(2) . . . . ?
C20 C21 C26 C28 -81.6(2) . . . . ?
C24 C25 C29 C31 92.0(2) . . . . ?
C20 C25 C29 C31 -84.4(2) . . . . ?
C24 C25 C29 C30 -32.0(2) . . . . ?
C20 C25 C29 C30 151.63(18) . . . . ?
C36 C32 C33 C34 7.0(2) . . . . ?
Pt1 C32 C33 C34 -175.84(12) . . . . ?
C32 C33 C34 O1 19.5(3) . . . . ?
C32 C33 C34 O2 -161.58(16) . . . . ?
C33 C32 C36 O3 73.7(2) . . . . ?
Pt1 C32 C36 O3 -103.94(18) . . . . ?
C33 C32 C36 O4 -110.65(17) . . . . ?
Pt1 C32 C36 O4 71.74(16) . . . . ?
C43 C38 C39 C40 0.3(4) . . . . ?
C38 C39 C40 C41 0.1(4) . . . . ?
C39 C40 C41 C42 -0.7(4) . . . . ?
C40 C41 C42 C43 1.0(4) . . . . ?
C41 C42 C43 C38 -0.6(4) . . . . ?
C39 C38 C43 C42 0.0(4) . . . . ?
C49 C44 C45 C46 1.3(5) . . . . ?
C44 C45 C46 C47 0.7(5) . . . . ?
C45 C46 C47 C48 -1.4(5) . . . . ?
C46 C47 C48 C49 0.2(6) . . . . ?
C47 C48 C49 C44 1.9(6) . . . . ?
C45 C44 C49 C48 -2.6(6) . . . . ?
C49B C44B C45B C46B -1.3(8) . . . . ?
C44B C45B C46B C47B -0.8(8) . . . . ?
C45B C46B C47B C48B 2.4(8) . . . . ?
C46B C47B C48B C49B -1.9(9) . . . . ?
C45B C44B C49B C48B 1.8(9) . . . . ?
C47B C48B C49B C44B -0.2(9) . . . . ?
N2 C1 N1 C4 180.00(14) . . . . ?
Pt1 C1 N1 C4 -5.69(19) . . . . ?
N2 C1 N1 C2 0.28(19) . . . . ?
Pt1 C1 N1 C2 174.59(11) . . . . ?
N3 C4 N1 C1 1.7(2) . . . . ?
C5 C4 N1 C1 -177.94(15) . . . . ?
N3 C4 N1 C2 -178.67(16) . . . . ?
C5 C4 N1 C2 1.7(3) . . . . ?
C3 C2 N1 C1 -0.5(2) . . . . ?
C3 C2 N1 C4 179.80(17) . . . . ?
N1 C1 N2 C3 0.07(18) . . . . ?
Pt1 C1 N2 C3 -171.03(16) . . . . ?
N1 C1 N2 C18 -174.85(15) . . . . ?
Pt1 C1 N2 C18 14.1(3) . . . . ?
C2 C3 N2 C1 -0.4(2) . . . . ?
C2 C3 N2 C18 175.10(15) . . . . ?
N4 C18 N2 C1 -130.51(18) . . . . ?
C19 C18 N2 C1 57.8(2) . . . . ?
N4 C18 N2 C3 54.9(2) . . . . ?
C19 C18 N2 C3 -116.76(17) . . . . ?
N1 C4 N3 C6 -175.56(14) . . . . ?
C5 C4 N3 C6 4.0(3) . . . . ?
N1 C4 N3 Pt1 3.25(19) . . . . ?
C5 C4 N3 Pt1 -177.19(15) . . . . ?
C11 C6 N3 C4 78.1(2) . . . . ?
C7 C6 N3 C4 -102.84(18) . . . . ?
C11 C6 N3 Pt1 -100.58(16) . . . . ?
C7 C6 N3 Pt1 78.48(17) . . . . ?
N2 C18 N4 C20 -169.60(14) . . . . ?
C19 C18 N4 C20 0.4(3) . . . . ?
C25 C20 N4 C18 -73.9(2) . . . . ?
C21 C20 N4 C18 112.39(18) . . . . ?
O1 C34 O2 C35 -1.7(3) . . . . ?
C33 C34 O2 C35 179.33(18) . . . . ?
O3 C36 O4 C37 -1.1(3) . . . . ?
C32 C36 O4 C37 -176.84(18) . . . . ?

_refine_diff_density_max         0.972
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.078

####################################################################### 
# 
# 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_e4806a_a
_database_code_depnum_ccdc_archive 'CCDC 2093085'
_audit_update_record             
;
2021-06-29 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H51 Pt4, B F4'
_chemical_formula_sum            'C32 H51 B F4 Pt4'
_chemical_formula_weight         1302.90

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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+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                   21.3229(16)
_cell_length_b                   12.7436(12)
_cell_length_c                   15.3117(14)
_cell_angle_alpha                90
_cell_angle_beta                 132.571(3)
_cell_angle_gamma                90
_cell_volume                     3064.1(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    2945
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      2568

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.824
_exptl_crystal_F_000             2384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    18.252
_shelx_estimated_absorpt_T_min   0.263
_shelx_estimated_absorpt_T_max   0.462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5452
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19035
_diffrn_reflns_av_unetI/netI     0.0955
_diffrn_reflns_av_R_equivalents  0.0938
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.806
_diffrn_reflns_theta_max         30.226
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4407
_reflns_number_gt                3319
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component twin.
3 H coudn't be found in the DIFFERENTIEL FOURIER bu they have been added
in the formula
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0491P)²+480.4675P] 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         4407
_refine_ls_number_parameters     171
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_ref         0.1711
_refine_ls_wR_factor_gt          0.1554
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.057

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 0.51014(4) 0.31076(5) 0.17698(5) 0.01448(16) Uani 1 1 d . . . . .
Pt2 Pt 0.58809(4) 0.46697(5) 0.32488(5) 0.01476(16) Uani 1 1 d . . . . .
C1 C 0.4220(12) 0.1834(14) 0.0569(15) 0.023(4) Uani 1 1 d . . . . .
H1 H 0.396819 0.186579 0.089580 0.028 Uiso 1 1 calc R U . . .
C2 C 0.5050(13) 0.1478(16) 0.1295(17) 0.026(3) Uani 1 1 d . . . . .
H2 H 0.534551 0.134996 0.210414 0.032 Uiso 1 1 calc R U . . .
C3 C 0.5520(13) 0.1278(16) 0.0891(17) 0.026(3) Uani 1 1 d . U . . .
H3A H 0.510190 0.109219 0.003900 0.032 Uiso 1 1 calc R U . . .
H3B H 0.590432 0.066957 0.133318 0.032 Uiso 1 1 calc R U . . .
C4 C 0.6045(13) 0.2220(17) 0.1075(18) 0.029(4) Uani 1 1 d . U . . .
H4A H 0.661250 0.219940 0.189099 0.035 Uiso 1 1 calc R U . . .
H4B H 0.613074 0.216787 0.051628 0.035 Uiso 1 1 calc R U . . .
C5 C 0.5628(11) 0.3232(16) 0.0887(14) 0.026(4) Uani 1 1 d D . . . .
H5 H 0.601208 0.375870 0.144365 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4827(12) 0.3549(15) 0.0100(15) 0.022(4) Uani 1 1 d . . . . .
H6 H 0.467186 0.422144 0.016900 0.026 Uiso 1 1 calc R U . . .
C7 C 0.4169(14) 0.2836(18) -0.0901(16) 0.032(5) Uani 1 1 d . . . . .
H7A H 0.445091 0.236052 -0.105714 0.038 Uiso 1 1 calc R U . . .
H7B H 0.375413 0.326644 -0.162180 0.038 Uiso 1 1 calc R U . . .
C8 C 0.3684(13) 0.2174(17) -0.0699(17) 0.030(4) Uani 1 1 d . . . . .
H8A H 0.319245 0.258220 -0.094331 0.036 Uiso 1 1 calc R U . . .
H8B H 0.345927 0.154287 -0.120923 0.036 Uiso 1 1 calc R U . . .
C9 C 0.7137(10) 0.4356(16) 0.3834(14) 0.026(3) Uani 1 1 d D U . . .
H9 H 0.681033 0.399266 0.310037 0.031 Uiso 1 1 calc R U . . .
C10 C 0.7115(11) 0.3877(17) 0.4635(15) 0.026(3) Uani 1 1 d . U . . .
H10 H 0.679983 0.325214 0.443930 0.031 Uiso 1 1 calc R U . . .
C11 C 0.7627(13) 0.4412(17) 0.5846(16) 0.029(4) Uani 1 1 d . . . . .
H11A H 0.786032 0.386539 0.645788 0.035 Uiso 1 1 calc R U . . .
H11B H 0.811493 0.478764 0.604007 0.035 Uiso 1 1 calc R U . . .
C12 C 0.7111(13) 0.5185(19) 0.5900(16) 0.033(5) Uani 1 1 d . . . . .
H12A H 0.750847 0.568187 0.655909 0.040 Uiso 1 1 calc R U . . .
H12B H 0.681431 0.479284 0.608845 0.040 Uiso 1 1 calc R U . . .
C13 C 0.6462(13) 0.5804(15) 0.4784(17) 0.026(4) Uani 1 1 d . . . . .
H13 H 0.592141 0.590809 0.453991 0.031 Uiso 1 1 calc R U . . .
C14 C 0.6586(12) 0.6233(14) 0.4088(15) 0.024(4) Uani 1 1 d . . . . .
H14 H 0.611207 0.655561 0.336512 0.029 Uiso 1 1 calc R U . . .
C15 C 0.7420(12) 0.6225(16) 0.4392(16) 0.027(4) Uani 1 1 d . . . . .
H15A H 0.788968 0.622695 0.526561 0.032 Uiso 1 1 calc R U . . .
H15B H 0.746527 0.687806 0.408695 0.032 Uiso 1 1 calc R U . . .
C16 C 0.7536(11) 0.5260(17) 0.3876(16) 0.026(4) Uani 1 1 d . . . . .
H16A H 0.729157 0.542928 0.306624 0.031 Uiso 1 1 calc R U . . .
H16B H 0.815135 0.511898 0.437600 0.031 Uiso 1 1 calc R U . . .
F3 F 0.940(2) 0.551(3) 0.666(3) 0.072(5) Uani 0.5 1 d . U P . .
F1 F 0.954(2) 0.620(3) 0.642(3) 0.072(5) Uani 0.5 1 d . U P . .
F2 F 0.991(2) 0.717(2) 0.706(3) 0.072(5) Uani 0.5 1 d . U P . .
B1 B 1.000000 0.611(4) 0.750000 0.072(5) Uani 1 2 d DS TU P . .
F4 F 0.9358(16) 0.594(3) 0.750(3) 0.072(5) Uani 0.5 1 d D U P . .


_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 C2 2.178(19) . ?
Pt1 C1 2.208(16) . ?
Pt1 C5 2.272(17) . ?
Pt1 C6 2.275(16) . ?
Pt1 Pt1 2.5485(12) 2_655 ?
Pt1 Pt2 2.6002(9) . ?
Pt1 Pt2 2.8757(9) 2_655 ?
Pt2 C9 2.211(17) . ?
Pt2 C10 2.212(17) . ?
Pt2 C13 2.283(18) . ?
Pt2 C14 2.294(18) . ?
Pt2 Pt2 2.7777(13) 2_655 ?
C1 C2 1.38(3) . ?
C1 C8 1.50(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.51(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.53(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.48(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.32(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.49(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.52(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.40(3) . ?
C9 C16 1.41(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.54(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.52(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.50(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.37(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.50(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.57(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
F3 F1 1.06(4) . ?
F3 B1 1.28(5) . ?
F3 F4 1.46(5) . ?
F1 B1 1.23(4) . ?
F1 F2 1.44(5) . ?
F1 F4 1.76(4) 2_756 ?
F2 F2 1.13(7) 2_756 ?
F2 B1 1.46(5) . ?
B1 F4 1.391(18) . ?
B1 F4 1.391(18) 2_756 ?

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
C2 Pt1 C1 36.7(7) . . ?
C2 Pt1 C5 78.6(7) . . ?
C1 Pt1 C5 92.4(7) . . ?
C2 Pt1 C6 86.8(7) . . ?
C1 Pt1 C6 79.6(6) . . ?
C5 Pt1 C6 33.8(7) . . ?
C2 Pt1 Pt1 107.0(5) . 2_655 ?
C1 Pt1 Pt1 100.2(5) . 2_655 ?
C5 Pt1 Pt1 165.2(4) . 2_655 ?
C6 Pt1 Pt1 156.8(5) . 2_655 ?
C2 Pt1 Pt2 151.5(5) . . ?
C1 Pt1 Pt2 166.1(5) . . ?
C5 Pt1 Pt2 100.5(5) . . ?
C6 Pt1 Pt2 108.4(5) . . ?
Pt1 Pt1 Pt2 67.90(2) 2_655 . ?
C2 Pt1 Pt2 141.7(5) . 2_655 ?
C1 Pt1 Pt2 107.2(5) . 2_655 ?
C5 Pt1 Pt2 126.5(5) . 2_655 ?
C6 Pt1 Pt2 100.7(5) . 2_655 ?
Pt1 Pt1 Pt2 56.90(2) 2_655 2_655 ?
Pt2 Pt1 Pt2 60.72(3) . 2_655 ?
C9 Pt2 C10 36.9(7) . . ?
C9 Pt2 C13 91.9(7) . . ?
C10 Pt2 C13 80.6(7) . . ?
C9 Pt2 C14 77.0(7) . . ?
C10 Pt2 C14 87.5(7) . . ?
C13 Pt2 C14 34.9(7) . . ?
C9 Pt2 Pt1 95.7(5) . . ?
C10 Pt2 Pt1 97.5(5) . . ?
C13 Pt2 Pt1 164.5(5) . . ?
C14 Pt2 Pt1 160.6(5) . . ?
C9 Pt2 Pt2 157.7(4) . 2_655 ?
C10 Pt2 Pt2 149.2(6) . 2_655 ?
C13 Pt2 Pt2 109.8(5) . 2_655 ?
C14 Pt2 Pt2 118.0(5) . 2_655 ?
Pt1 Pt2 Pt2 64.55(2) . 2_655 ?
C9 Pt2 Pt1 123.6(5) . 2_655 ?
C10 Pt2 Pt1 94.5(6) . 2_655 ?
C13 Pt2 Pt1 109.5(5) . 2_655 ?
C14 Pt2 Pt1 143.4(5) . 2_655 ?
Pt1 Pt2 Pt1 55.20(3) . 2_655 ?
Pt2 Pt2 Pt1 54.73(2) 2_655 2_655 ?
C2 C1 C8 125.0(18) . . ?
C2 C1 Pt1 70.5(10) . . ?
C8 C1 Pt1 109.8(13) . . ?
C2 C1 H1 117.5 . . ?
C8 C1 H1 117.5 . . ?
Pt1 C1 H1 89.7 . . ?
C1 C2 C3 124.6(17) . . ?
C1 C2 Pt1 72.8(11) . . ?
C3 C2 Pt1 113.5(13) . . ?
C1 C2 H2 117.7 . . ?
C3 C2 H2 117.7 . . ?
Pt1 C2 H2 83.7 . . ?
C2 C3 C4 113.4(16) . . ?
C2 C3 H3A 108.9 . . ?
C4 C3 H3A 108.8 . . ?
C2 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C5 C4 C3 112.2(16) . . ?
C5 C4 H4A 109.2 . . ?
C3 C4 H4A 109.1 . . ?
C5 C4 H4B 109.1 . . ?
C3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
C6 C5 C4 132.8(18) . . ?
C6 C5 Pt1 73.2(10) . . ?
C4 C5 Pt1 107.3(13) . . ?
C6 C5 H5 113.6 . . ?
C4 C5 H5 113.6 . . ?
Pt1 C5 H5 89.3 . . ?
C5 C6 C7 119.2(18) . . ?
C5 C6 Pt1 73.0(10) . . ?
C7 C6 Pt1 110.6(12) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
Pt1 C6 H6 86.8 . . ?
C6 C7 C8 115.1(15) . . ?
C6 C7 H7A 108.4 . . ?
C8 C7 H7A 108.5 . . ?
C6 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C1 C8 C7 113.4(16) . . ?
C1 C8 H8A 108.9 . . ?
C7 C8 H8A 108.9 . . ?
C1 C8 H8B 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 C16 134.0(17) . . ?
C10 C9 Pt2 71.6(10) . . ?
C16 C9 Pt2 113.6(13) . . ?
C10 C9 H9 112.9 . . ?
C16 C9 H9 113.0 . . ?
Pt2 C9 H9 83.6 . . ?
C9 C10 C11 116.5(18) . . ?
C9 C10 Pt2 71.5(10) . . ?
C11 C10 Pt2 111.6(13) . . ?
C9 C10 H10 121.7 . . ?
C11 C10 H10 121.8 . . ?
Pt2 C10 H10 87.2 . . ?
C12 C11 C10 113.8(15) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 C13 115.0(15) . . ?
C11 C12 H12A 108.6 . . ?
C13 C12 H12A 108.6 . . ?
C11 C12 H12B 108.5 . . ?
C13 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 C12 125.4(19) . . ?
C14 C13 Pt2 73.0(11) . . ?
C12 C13 Pt2 106.2(12) . . ?
C14 C13 H13 117.3 . . ?
C12 C13 H13 117.4 . . ?
Pt2 C13 H13 90.8 . . ?
C13 C14 C15 124.5(17) . . ?
C13 C14 Pt2 72.1(11) . . ?
C15 C14 Pt2 111.0(12) . . ?
C13 C14 H14 117.8 . . ?
C15 C14 H14 117.8 . . ?
Pt2 C14 H14 86.9 . . ?
C14 C15 C16 113.9(16) . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C16 C15 H15B 108.7 . . ?
H15A C15 H15B 107.7 . . ?
C9 C16 C15 111.6(15) . . ?
C9 C16 H16A 109.3 . . ?
C15 C16 H16A 109.4 . . ?
C9 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
F1 F3 B1 62(3) . . ?
F1 F3 F4 102(4) . . ?
B1 F3 F4 61(2) . . ?
F3 F1 B1 68(4) . . ?
F3 F1 F2 129(5) . . ?
B1 F1 F2 66(3) . . ?
F3 F1 F4 92(3) . 2_756 ?
B1 F1 F4 52.0(15) . 2_756 ?
F2 F1 F4 76(2) . 2_756 ?
F2 F2 F1 114(3) 2_756 . ?
F2 F2 B1 67.2(16) 2_756 . ?
F1 F2 B1 50.3(18) . . ?
F1 B1 F1 170(6) 2_756 . ?
F1 B1 F3 50(2) 2_756 2_756 ?
F1 B1 F3 138(4) . 2_756 ?
F1 B1 F3 138(4) 2_756 . ?
F1 B1 F3 50(2) . . ?
F3 B1 F3 107(5) 2_756 . ?
F1 B1 F4 84(2) 2_756 . ?
F1 B1 F4 98(2) . . ?
F3 B1 F4 102(3) 2_756 . ?
F3 B1 F4 66(3) . . ?
F1 B1 F4 98(2) 2_756 2_756 ?
F1 B1 F4 84(2) . 2_756 ?
F3 B1 F4 66(3) 2_756 2_756 ?
F3 B1 F4 102(3) . 2_756 ?
F4 B1 F4 161(5) . 2_756 ?
F1 B1 F2 106(4) 2_756 . ?
F1 B1 F2 64(3) . . ?
F3 B1 F2 138(3) 2_756 . ?
F3 B1 F2 111(2) . . ?
F4 B1 F2 109(3) . . ?
F4 B1 F2 88(3) 2_756 . ?
F1 B1 F2 64(3) 2_756 2_756 ?
F1 B1 F2 106(4) . 2_756 ?
F3 B1 F2 111(2) 2_756 2_756 ?
F3 B1 F2 138(3) . 2_756 ?
F4 B1 F2 88(3) . 2_756 ?
F4 B1 F2 109(3) 2_756 2_756 ?
F2 B1 F2 46(3) . 2_756 ?
B1 F4 F3 53(2) . . ?
B1 F4 F1 44.0(16) . 2_756 ?
F3 F4 F1 93(2) . 2_756 ?

_refine_diff_density_max         5.517
_refine_diff_density_min         -4.134
_refine_diff_density_rms         0.520

####################################################################### 
# 
# 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_dafh200302
_database_code_depnum_ccdc_archive 'CCDC 2093084'
_audit_update_record             
;
2021-06-29 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H35 Cl N4 Pt'
_chemical_formula_sum            'C22 H35 Cl N4 Pt'
_chemical_formula_weight         586.08

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6958(8)
_cell_length_b                   13.8722(7)
_cell_length_c                   12.7246(6)
_cell_angle_alpha                90
_cell_angle_beta                 112.646(2)
_cell_angle_gamma                90
_cell_volume                     2394.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9725
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      31.02

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    5.987
_shelx_estimated_absorpt_T_min   0.328
_shelx_estimated_absorpt_T_max   0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6041
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Mo-ImuS 3.0 microfocus tube'
_diffrn_measurement_device_type  'Bruker PHOTON-III CPAD'
_diffrn_measurement_method       'φ and ω shuterless scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77110
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.100
_diffrn_reflns_theta_max         31.058
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7659
_reflns_number_gt                6696
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0081P)²+2.9579P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7659
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0386
_refine_ls_wR_factor_gt          0.0358
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.59204(15) 0.76574(15) 0.73142(18) 0.0161(4) Uani 1 1 d . . . . .
C2 C 0.59716(17) 0.89098(16) 0.61660(18) 0.0194(4) Uani 1 1 d . . . . .
H2 H 0.6173 0.9316 0.5694 0.023 Uiso 1 1 calc R U . . .
C3 C 0.51864(17) 0.90309(16) 0.64499(19) 0.0207(4) Uani 1 1 d . . . . .
H3 H 0.4724 0.9544 0.6210 0.025 Uiso 1 1 calc R U . . .
C4 C 0.72688(16) 0.75960(16) 0.67123(17) 0.0162(4) Uani 1 1 d . . . . .
C5 C 0.83017(15) 0.62446(15) 0.72827(17) 0.0151(4) Uani 1 1 d . . . . .
C6 C 0.81865(17) 0.56707(16) 0.63248(18) 0.0187(4) Uani 1 1 d . . . . .
C7 C 0.90135(18) 0.51596(17) 0.6355(2) 0.0246(5) Uani 1 1 d . . . . .
H7 H 0.8967 0.4765 0.5726 0.030 Uiso 1 1 calc R U . . .
C8 C 0.99001(19) 0.52159(17) 0.7282(2) 0.0260(5) Uani 1 1 d . . . . .
H8 H 1.0456 0.4871 0.7276 0.031 Uiso 1 1 calc R U . . .
C9 C 0.99834(17) 0.57706(16) 0.8217(2) 0.0213(5) Uani 1 1 d . . . . .
H9 H 1.0594 0.5793 0.8853 0.026 Uiso 1 1 calc R U . . .
C10 C 0.91826(16) 0.62971(15) 0.82384(18) 0.0172(4) Uani 1 1 d . . . . .
C11 C 0.78108(17) 0.80509(17) 0.6071(2) 0.0221(5) Uani 1 1 d . . . . .
H11A H 0.8431 0.7705 0.6229 0.033 Uiso 1 1 calc R U . . .
H11B H 0.7952 0.8725 0.6306 0.033 Uiso 1 1 calc R U . . .
H11C H 0.7407 0.8023 0.5253 0.033 Uiso 1 1 calc R U . . .
C12 C 0.72017(18) 0.55954(18) 0.53199(19) 0.0233(5) Uani 1 1 d . . . . .
H12 H 0.6883 0.6245 0.5212 0.028 Uiso 1 1 calc R U . . .
C13 C 0.6516(2) 0.4888(2) 0.5570(2) 0.0381(7) Uani 1 1 d . . . . .
H13A H 0.6810 0.4242 0.5688 0.057 Uiso 1 1 calc R U . . .
H13B H 0.5879 0.4874 0.4925 0.057 Uiso 1 1 calc R U . . .
H13C H 0.6421 0.5092 0.6257 0.057 Uiso 1 1 calc R U . . .
C14 C 0.7305(2) 0.5333(2) 0.4207(2) 0.0401(7) Uani 1 1 d . . . . .
H14A H 0.7748 0.5793 0.4059 0.060 Uiso 1 1 calc R U . . .
H14B H 0.6656 0.5356 0.3581 0.060 Uiso 1 1 calc R U . . .
H14C H 0.7577 0.4681 0.4265 0.060 Uiso 1 1 calc R U . . .
C15 C 0.92744(16) 0.69322(16) 0.92482(18) 0.0192(4) Uani 1 1 d . . . . .
H15 H 0.8600 0.7003 0.9255 0.023 Uiso 1 1 calc R U . . .
C16 C 0.9931(2) 0.6494(2) 1.0384(2) 0.0340(6) Uani 1 1 d . . . . .
H16A H 0.9681 0.5854 1.0462 0.051 Uiso 1 1 calc R U . . .
H16B H 0.9929 0.6910 1.1006 0.051 Uiso 1 1 calc R U . . .
H16C H 1.0605 0.6435 1.0415 0.051 Uiso 1 1 calc R U . . .
C17 C 0.9635(2) 0.79417(19) 0.9117(2) 0.0343(6) Uani 1 1 d . . . . .
H17A H 1.0291 0.7897 0.9089 0.051 Uiso 1 1 calc R U . . .
H17B H 0.9670 0.8341 0.9766 0.051 Uiso 1 1 calc R U . . .
H17C H 0.9176 0.8234 0.8411 0.051 Uiso 1 1 calc R U . . .
C18 C 0.43839(16) 0.81152(17) 0.7582(2) 0.0212(4) Uani 1 1 d . . . . .
H18A H 0.4112 0.8746 0.7681 0.025 Uiso 1 1 calc R U . . .
H18B H 0.4656 0.7792 0.8334 0.025 Uiso 1 1 calc R U . . .
C19 C 0.35661(18) 0.74992(19) 0.6751(2) 0.0251(5) Uani 1 1 d . . . . .
H19A H 0.3418 0.7727 0.5965 0.030 Uiso 1 1 calc R U . . .
H19B H 0.3793 0.6823 0.6803 0.030 Uiso 1 1 calc R U . . .
C20 C 0.26317(17) 0.75412(19) 0.6995(2) 0.0263(5) Uani 1 1 d . . . . .
H20A H 0.2356 0.8201 0.6834 0.032 Uiso 1 1 calc R U . . .
H20B H 0.2139 0.7095 0.6473 0.032 Uiso 1 1 calc R U . . .
C21 C 0.18910(19) 0.7494(2) 0.8361(2) 0.0332(6) Uani 1 1 d . . . . .
H21A H 0.1346 0.7109 0.7835 0.050 Uiso 1 1 calc R U . . .
H21B H 0.1731 0.8180 0.8228 0.050 Uiso 1 1 calc R U . . .
H21C H 0.1993 0.7330 0.9147 0.050 Uiso 1 1 calc R U . . .
C22 C 0.3056(2) 0.62814(18) 0.8407(2) 0.0315(6) Uani 1 1 d . . . . .
H22A H 0.2544 0.5875 0.7864 0.047 Uiso 1 1 calc R U . . .
H22B H 0.3118 0.6127 0.9183 0.047 Uiso 1 1 calc R U . . .
H22C H 0.3687 0.6162 0.8335 0.047 Uiso 1 1 calc R U . . .
N1 N 0.64272(14) 0.80658(13) 0.67076(15) 0.0169(4) Uani 1 1 d . . . . .
N2 N 0.51735(14) 0.82663(13) 0.71606(16) 0.0186(4) Uani 1 1 d . . . . .
N3 N 0.74717(13) 0.68021(13) 0.72783(14) 0.0140(3) Uani 1 1 d . . . . .
N4 N 0.27885(15) 0.72890(15) 0.81689(18) 0.0238(4) Uani 1 1 d . . . . .
Cl1 Cl 0.72388(4) 0.50604(4) 0.90289(4) 0.01920(10) Uani 1 1 d . . . . .
Pt1 Pt 0.64576(2) 0.64729(2) 0.80927(2) 0.01399(2) Uani 1 1 d . . . . .
H1 H 0.5612(19) 0.6322(19) 0.862(2) 0.025(7) Uiso 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
C1 N2 1.338(3) . ?
C1 N1 1.383(3) . ?
C1 Pt1 1.924(2) . ?
C2 C3 1.346(3) . ?
C2 N1 1.392(3) . ?
C2 H2 0.9500 . ?
C3 N2 1.399(3) . ?
C3 H3 0.9500 . ?
C4 N3 1.286(3) . ?
C4 N1 1.396(3) . ?
C4 C11 1.483(3) . ?
C5 C10 1.396(3) . ?
C5 C6 1.410(3) . ?
C5 N3 1.443(3) . ?
C6 C7 1.395(3) . ?
C6 C12 1.522(3) . ?
C7 C8 1.383(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.382(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(3) . ?
C9 H9 0.9500 . ?
C10 C15 1.521(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.525(4) . ?
C12 C14 1.525(3) . ?
C12 H12 1.0000 . ?
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 1.522(3) . ?
C15 C17 1.529(3) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N2 1.469(3) . ?
C18 C19 1.521(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.521(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 N4 1.463(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 N4 1.459(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 N4 1.452(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
N3 Pt1 2.1662(16) . ?
Cl1 Pt1 2.3502(5) . ?
Pt1 H1 1.63(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 104.33(18) . . ?
N2 C1 Pt1 139.90(16) . . ?
N1 C1 Pt1 115.76(15) . . ?
C3 C2 N1 105.70(19) . . ?
C3 C2 H2 127.2 . . ?
N1 C2 H2 127.2 . . ?
C2 C3 N2 107.78(19) . . ?
C2 C3 H3 126.1 . . ?
N2 C3 H3 126.1 . . ?
N3 C4 N1 114.58(18) . . ?
N3 C4 C11 127.9(2) . . ?
N1 C4 C11 117.50(19) . . ?
C10 C5 C6 123.02(19) . . ?
C10 C5 N3 118.33(18) . . ?
C6 C5 N3 118.65(19) . . ?
C7 C6 C5 116.7(2) . . ?
C7 C6 C12 121.7(2) . . ?
C5 C6 C12 121.6(2) . . ?
C8 C7 C6 121.3(2) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C9 C8 C7 120.5(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 120.9(2) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C5 117.5(2) . . ?
C9 C10 C15 121.3(2) . . ?
C5 C10 C15 121.15(19) . . ?
C4 C11 H11A 109.5 . . ?
C4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C6 C12 C13 111.1(2) . . ?
C6 C12 C14 113.2(2) . . ?
C13 C12 C14 110.5(2) . . ?
C6 C12 H12 107.3 . . ?
C13 C12 H12 107.3 . . ?
C14 C12 H12 107.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 C16 112.9(2) . . ?
C10 C15 C17 111.09(18) . . ?
C16 C15 C17 110.5(2) . . ?
C10 C15 H15 107.4 . . ?
C16 C15 H15 107.4 . . ?
C17 C15 H15 107.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C19 110.49(18) . . ?
N2 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
N2 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C20 C19 C18 111.7(2) . . ?
C20 C19 H19A 109.3 . . ?
C18 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
C18 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
N4 C20 C19 113.55(19) . . ?
N4 C20 H20A 108.9 . . ?
C19 C20 H20A 108.9 . . ?
N4 C20 H20B 108.9 . . ?
C19 C20 H20B 108.9 . . ?
H20A C20 H20B 107.7 . . ?
N4 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C1 N1 C2 111.16(18) . . ?
C1 N1 C4 118.22(18) . . ?
C2 N1 C4 130.61(18) . . ?
C1 N2 C3 111.01(18) . . ?
C1 N2 C18 125.13(19) . . ?
C3 N2 C18 123.61(19) . . ?
C4 N3 C5 118.32(17) . . ?
C4 N3 Pt1 113.24(14) . . ?
C5 N3 Pt1 128.43(13) . . ?
C22 N4 C21 110.0(2) . . ?
C22 N4 C20 111.5(2) . . ?
C21 N4 C20 109.1(2) . . ?
C1 Pt1 N3 78.18(8) . . ?
C1 Pt1 Cl1 175.18(6) . . ?
N3 Pt1 Cl1 97.27(5) . . ?
C1 Pt1 H1 95.4(9) . . ?
N3 Pt1 H1 173.4(9) . . ?
Cl1 Pt1 H1 89.2(9) . . ?

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
N1 C2 C3 N2 0.2(2) . . . . ?
C10 C5 C6 C7 -1.5(3) . . . . ?
N3 C5 C6 C7 178.68(19) . . . . ?
C10 C5 C6 C12 177.2(2) . . . . ?
N3 C5 C6 C12 -2.7(3) . . . . ?
C5 C6 C7 C8 0.0(3) . . . . ?
C12 C6 C7 C8 -178.6(2) . . . . ?
C6 C7 C8 C9 1.2(4) . . . . ?
C7 C8 C9 C10 -1.1(4) . . . . ?
C8 C9 C10 C5 -0.3(3) . . . . ?
C8 C9 C10 C15 -178.2(2) . . . . ?
C6 C5 C10 C9 1.6(3) . . . . ?
N3 C5 C10 C9 -178.57(18) . . . . ?
C6 C5 C10 C15 179.53(19) . . . . ?
N3 C5 C10 C15 -0.6(3) . . . . ?
C7 C6 C12 C13 98.4(3) . . . . ?
C5 C6 C12 C13 -80.1(3) . . . . ?
C7 C6 C12 C14 -26.5(3) . . . . ?
C5 C6 C12 C14 154.9(2) . . . . ?
C9 C10 C15 C16 -37.6(3) . . . . ?
C5 C10 C15 C16 144.5(2) . . . . ?
C9 C10 C15 C17 87.1(3) . . . . ?
C5 C10 C15 C17 -90.8(3) . . . . ?
N2 C18 C19 C20 -165.31(19) . . . . ?
C18 C19 C20 N4 -54.5(3) . . . . ?
N2 C1 N1 C2 -1.4(2) . . . . ?
Pt1 C1 N1 C2 179.19(15) . . . . ?
N2 C1 N1 C4 179.28(18) . . . . ?
Pt1 C1 N1 C4 -0.1(2) . . . . ?
C3 C2 N1 C1 0.7(3) . . . . ?
C3 C2 N1 C4 179.9(2) . . . . ?
N3 C4 N1 C1 1.4(3) . . . . ?
C11 C4 N1 C1 -179.18(19) . . . . ?
N3 C4 N1 C2 -177.7(2) . . . . ?
C11 C4 N1 C2 1.7(3) . . . . ?
N1 C1 N2 C3 1.5(2) . . . . ?
Pt1 C1 N2 C3 -179.3(2) . . . . ?
N1 C1 N2 C18 175.95(19) . . . . ?
Pt1 C1 N2 C18 -4.9(4) . . . . ?
C2 C3 N2 C1 -1.1(3) . . . . ?
C2 C3 N2 C18 -175.7(2) . . . . ?
C19 C18 N2 C1 -84.7(3) . . . . ?
C19 C18 N2 C3 89.0(3) . . . . ?
N1 C4 N3 C5 177.02(18) . . . . ?
C11 C4 N3 C5 -2.3(3) . . . . ?
N1 C4 N3 Pt1 -1.9(2) . . . . ?
C11 C4 N3 Pt1 178.80(18) . . . . ?
C10 C5 N3 C4 101.6(2) . . . . ?
C6 C5 N3 C4 -78.6(3) . . . . ?
C10 C5 N3 Pt1 -79.8(2) . . . . ?
C6 C5 N3 Pt1 100.1(2) . . . . ?
C19 C20 N4 C22 -66.9(3) . . . . ?
C19 C20 N4 C21 171.3(2) . . . . ?

_refine_diff_density_max         0.598
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.113

