# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_0902-czf-hkb-ppd10
_database_code_depnum_ccdc_archive 'CCDC 1542728'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2017-04-05
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2010.10.27 svn.r1485, GUI svn.r3319)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H27 Cl2 N2 O4 P Pt'
_chemical_formula_sum            'C19 H27 Cl2 N2 O4 P Pt'
_chemical_formula_weight         644.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   9.3032(4)
_cell_length_b                   11.5641(4)
_cell_length_c                   12.6329(6)
_cell_angle_alpha                111.392(4)
_cell_angle_beta                 106.122(4)
_cell_angle_gamma                101.324(3)
_cell_volume                     1146.41(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4740
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7354
_cell_measurement_theta_min      3.1231
_exptl_absorpt_coefficient_mu    6.450
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8764
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         3.13
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9784
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -82.00  -34.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -      -17.0765  178.0000  -90.0000 48

#__ type_ start__ end____ width___ exp.time_
  2 omega  -18.00   25.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -      -17.0765  -99.0000    0.0000 43

#__ type_ start__ end____ width___ exp.time_
  3 omega  -15.00   10.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -      -17.0765  -99.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  4 omega  -81.00  -25.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -      -17.0765  -57.0000  -60.0000 56

#__ type_ start__ end____ width___ exp.time_
  5 omega  -50.00   40.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -       18.3265  -57.0000   90.0000 90

#__ type_ start__ end____ width___ exp.time_
  6 omega    5.00   74.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -       18.3265   57.0000 -150.0000 69

#__ type_ start__ end____ width___ exp.time_
  7 omega   43.00   87.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -       18.3265   57.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
  8 omega  -50.00   -9.00   1.0000    3.0200
omega____ theta____ kappa____ phi______ frames
    -       18.3265  -57.0000 -120.0000 41
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0370749000
_diffrn_orient_matrix_UB_12      -0.0676600000
_diffrn_orient_matrix_UB_13      -0.0422341000
_diffrn_orient_matrix_UB_21      -0.0703842000
_diffrn_orient_matrix_UB_22      0.0125401000
_diffrn_orient_matrix_UB_23      -0.0245093000
_diffrn_orient_matrix_UB_31      0.0274652000
_diffrn_orient_matrix_UB_32      0.0120279000
_diffrn_orient_matrix_UB_33      -0.0433053000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3705
_reflns_number_total             4123
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         4123
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0287
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0171P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0552
_refine_ls_wR_factor_ref         0.0579
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.601049(19) 0.728000(17) 0.643753(16) 0.04369(8) Uani 1 1 d . . .
Cl1 Cl 0.38594(15) 0.66031(16) 0.46544(13) 0.0704(4) Uani 1 1 d . . .
Cl2 Cl 0.46333(16) 0.81150(15) 0.76006(14) 0.0714(4) Uani 1 1 d . . .
P1 P 0.98700(16) 0.99157(13) 0.78892(12) 0.0533(3) Uani 1 1 d . A .
O4 O 0.9884(5) 1.0726(4) 0.9085(3) 0.0833(12) Uani 1 1 d . . .
O1 O 1.1498(4) 1.0177(4) 0.7753(4) 0.0768(12) Uani 1 1 d U . .
O2 O 0.8717(4) 0.9977(3) 0.6761(3) 0.0641(10) Uani 1 1 d U . .
O3 O 0.7742(4) 0.2757(4) 1.0747(3) 0.0699(10) Uani 1 1 d . . .
N1 N 0.7452(4) 0.6715(4) 0.5566(3) 0.0447(9) Uani 1 1 d . . .
N2 N 0.8014(4) 0.7803(4) 0.7944(3) 0.0440(9) Uani 1 1 d . A .
H2 H 0.8046 0.8521 0.8581 0.053 Uiso 1 1 calc R . .
C1 C 0.6982(6) 0.5857(5) 0.4376(5) 0.0562(13) Uani 1 1 d . . .
H1 H 0.5904 0.5457 0.3891 0.067 Uiso 1 1 calc R . .
C2 C 0.8064(7) 0.5564(6) 0.3866(5) 0.0685(16) Uani 1 1 d . . .
H2A H 0.7720 0.4977 0.3040 0.082 Uiso 1 1 calc R . .
C3 C 0.9641(7) 0.6134(6) 0.4573(6) 0.0667(16) Uani 1 1 d . . .
H3 H 1.0388 0.5966 0.4231 0.080 Uiso 1 1 calc R . .
C4 C 1.0116(6) 0.6970(5) 0.5809(5) 0.0575(14) Uani 1 1 d . . .
H4 H 1.1189 0.7334 0.6313 0.069 Uiso 1 1 calc R . .
C5 C 0.9015(5) 0.7262(4) 0.6292(4) 0.0455(11) Uani 1 1 d . A .
C6 C 0.9386(5) 0.8190(4) 0.7593(4) 0.0456(11) Uani 1 1 d . . .
H6 H 1.0309 0.8097 0.8118 0.055 Uiso 1 1 calc R A .
C7 C 1.1843(16) 1.0160(12) 0.6695(14) 0.093(3) Uani 0.575(8) 1 d PDU A 1
H7A H 1.0968 0.9496 0.5949 0.111 Uiso 0.575(8) 1 calc PR A 1
H7B H 1.2786 0.9915 0.6715 0.111 Uiso 0.575(8) 1 calc PR A 1
C8 C 1.2106(18) 1.1499(12) 0.6657(14) 0.110(4) Uani 0.575(8) 1 d PDU A 1
H8B H 1.2740 1.1563 0.6183 0.164 Uiso 0.575(8) 1 calc PR A 1
H8C H 1.2644 1.2196 0.7479 0.164 Uiso 0.575(8) 1 calc PR A 1
H8A H 1.1100 1.1573 0.6284 0.164 Uiso 0.575(8) 1 calc PR A 1
C9 C 0.7548(10) 1.0607(9) 0.6857(9) 0.125(3) Uani 1 1 d DU A .
H9BD H 0.8112 1.1546 0.7231 0.150 Uiso 0.321(10) 1 calc PR B 2
H9BC H 0.7180 1.0447 0.7454 0.150 Uiso 0.321(10) 1 calc PR B 2
H9AA H 0.6522 0.9988 0.6243 0.150 Uiso 0.679(10) 1 calc PR B 1
H9AB H 0.7496 1.0819 0.7659 0.150 Uiso 0.679(10) 1 calc PR B 1
C10 C 0.7825(17) 1.1764(13) 0.6704(14) 0.164(6) Uani 0.679(10) 1 d PDU A 1
H10A H 0.8031 1.1598 0.5967 0.247 Uiso 0.679(10) 1 calc PR B 1
H10C H 0.8726 1.2446 0.7399 0.247 Uiso 0.679(10) 1 calc PR B 1
H10B H 0.6909 1.2038 0.6640 0.247 Uiso 0.679(10) 1 calc PR B 1
C11 C 0.8108(6) 0.6738(5) 0.8344(4) 0.0497(12) Uani 1 1 d . . .
H11B H 0.9168 0.6986 0.8940 0.060 Uiso 1 1 calc R A .
H11A H 0.7924 0.5931 0.7638 0.060 Uiso 1 1 calc R . .
C12 C 0.6917(6) 0.6486(5) 0.8908(5) 0.0615(14) Uani 1 1 d . A .
H12B H 0.7047 0.7306 0.9576 0.074 Uiso 1 1 calc R . .
H12A H 0.5853 0.6170 0.8293 0.074 Uiso 1 1 calc R . .
C13 C 0.7108(6) 0.5499(5) 0.9387(5) 0.0563(14) Uani 1 1 d . . .
C14 C 0.6082(8) 0.4254(7) 0.8799(7) 0.127(3) Uani 1 1 d . A .
H14 H 0.5227 0.4012 0.8077 0.152 Uiso 1 1 calc R . .
C15 C 0.6248(8) 0.3329(7) 0.9223(7) 0.125(3) Uani 1 1 d . . .
H15 H 0.5499 0.2488 0.8792 0.151 Uiso 1 1 calc R A .
C16 C 0.7492(6) 0.3622(6) 1.0265(5) 0.0569(14) Uani 1 1 d . A .
C17 C 0.8555(7) 0.4843(6) 1.0853(5) 0.0717(17) Uani 1 1 d . . .
H17 H 0.9424 0.5071 1.1561 0.086 Uiso 1 1 calc R A .
C18 C 0.8373(7) 0.5766(6) 1.0419(5) 0.0732(17) Uani 1 1 d . A .
H18 H 0.9137 0.6601 1.0841 0.088 Uiso 1 1 calc R . .
C19 C 0.6678(7) 0.1439(6) 1.0084(5) 0.0757(17) Uani 1 1 d . . .
H19A H 0.6711 0.1050 0.9281 0.114 Uiso 1 1 calc R . .
H19B H 0.5620 0.1436 1.0004 0.114 Uiso 1 1 calc R . .
H19C H 0.6984 0.0941 1.0518 0.114 Uiso 1 1 calc R . .
C7A C 1.218(2) 1.1195(18) 0.7494(18) 0.093(3) Uani 0.425(8) 1 d P A 2
H7AA H 1.1417 1.1624 0.7300 0.111 Uiso 0.425(8) 1 calc PR A 2
H7AB H 1.3098 1.1848 0.8214 0.111 Uiso 0.425(8) 1 calc PR A 2
C10A C 0.615(3) 1.035(3) 0.584(2) 0.164(6) Uani 0.321(10) 1 d PD A 2
H10F H 0.6429 1.0785 0.5374 0.247 Uiso 0.321(10) 1 calc PR B 2
H10E H 0.5398 1.0669 0.6147 0.247 Uiso 0.321(10) 1 calc PR B 2
H10D H 0.5681 0.9416 0.5321 0.247 Uiso 0.321(10) 1 calc PR B 2
C8A C 1.263(3) 1.070(2) 0.6519(19) 0.110(4) Uani 0.425(8) 1 d P A 2
H8AA H 1.1715 1.0111 0.5790 0.164 Uiso 0.425(8) 1 calc PR A 2
H8AB H 1.3348 1.0239 0.6693 0.164 Uiso 0.425(8) 1 calc PR A 2
H8AC H 1.3158 1.1416 0.6394 0.164 Uiso 0.425(8) 1 calc PR A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.2993(13) . ?
Pt1 Cl2 2.2867(13) . ?
Pt1 N1 2.019(4) . ?
Pt1 N2 2.052(4) . ?
P1 O4 1.454(4) . ?
P1 O1 1.555(4) . ?
P1 O2 1.562(4) . ?
P1 C6 1.826(5) . ?
O1 C7 1.454(13) . ?
O1 C7A 1.414(17) . ?
O2 C9 1.431(7) . ?
O3 C16 1.373(6) . ?
O3 C19 1.421(6) . ?
N1 C1 1.346(6) . ?
N1 C5 1.353(5) . ?
N2 H2 0.9100 . ?
N2 C6 1.503(5) . ?
N2 C11 1.500(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.369(7) . ?
C2 H2A 0.9300 . ?
C2 C3 1.360(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.367(6) . ?
C5 C6 1.492(6) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.539(15) . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 H8A 0.9600 . ?
C9 H9BD 0.9700 . ?
C9 H9BC 0.9700 . ?
C9 H9AA 0.9700 . ?
C9 H9AB 0.9700 . ?
C9 C10 1.406(12) . ?
C9 C10A 1.441(16) . ?
C10 H10A 0.9600 . ?
C10 H10C 0.9600 . ?
C10 H10B 0.9600 . ?
C11 H11B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 C12 1.511(6) . ?
C12 H12B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 C13 1.491(7) . ?
C13 C14 1.350(8) . ?
C13 C18 1.375(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.364(8) . ?
C16 C17 1.342(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.385(8) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C7A H7AA 0.9700 . ?
C7A H7AB 0.9700 . ?
C7A C8A 1.37(2) . ?
C10A H10F 0.9600 . ?
C10A H10E 0.9600 . ?
C10A H10D 0.9600 . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt1 N2 H2 108.6 . . ?
Cl2 Pt1 Cl1 90.99(5) . . ?
P1 C6 H6 107.8 . . ?
O4 P1 O1 115.7(3) . . ?
O4 P1 O2 116.1(2) . . ?
O4 P1 C6 110.6(2) . . ?
O1 P1 O2 104.4(2) . . ?
O1 P1 C6 101.2(2) . . ?
O1 C7 H7A 109.0 . . ?
O1 C7 H7B 109.0 . . ?
O1 C7 C8 112.7(11) . . ?
O1 C7A H7AA 109.5 . . ?
O1 C7A H7AB 109.5 . . ?
O2 P1 C6 107.5(2) . . ?
O2 C9 H9BD 106.1 . . ?
O2 C9 H9BC 106.1 . . ?
O2 C9 H9AA 108.6 . . ?
O2 C9 H9AB 108.6 . . ?
O2 C9 C10A 124.8(14) . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
O3 C19 H19C 109.5 . . ?
N1 Pt1 Cl1 94.53(11) . . ?
N1 Pt1 Cl2 173.37(11) . . ?
N1 Pt1 N2 81.01(15) . . ?
N1 C1 H1 119.4 . . ?
N1 C1 C2 121.2(5) . . ?
N1 C5 C4 120.0(4) . . ?
N1 C5 C6 114.9(4) . . ?
N2 Pt1 Cl1 175.44(10) . . ?
N2 Pt1 Cl2 93.51(11) . . ?
N2 C6 P1 110.2(3) . . ?
N2 C6 H6 107.8 . . ?
N2 C11 H11B 109.1 . . ?
N2 C11 H11A 109.1 . . ?
N2 C11 C12 112.6(4) . . ?
C1 N1 Pt1 125.9(3) . . ?
C1 N1 C5 119.9(4) . . ?
C1 C2 H2A 120.1 . . ?
C2 C1 H1 119.4 . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.8(5) . . ?
C3 C2 C1 119.8(5) . . ?
C3 C2 H2A 120.1 . . ?
C3 C4 H4 119.9 . . ?
C4 C3 H3 120.6 . . ?
C4 C5 C6 125.1(4) . . ?
C5 N1 Pt1 114.3(3) . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 H4 119.9 . . ?
C5 C6 P1 113.7(3) . . ?
C5 C6 N2 109.3(4) . . ?
C5 C6 H6 107.8 . . ?
C6 N2 Pt1 105.7(3) . . ?
C6 N2 H2 108.6 . . ?
C7 O1 P1 128.9(6) . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C9 O2 P1 122.3(5) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10C 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10A H10F 109.5 . . ?
C9 C10A H10E 109.5 . . ?
C9 C10A H10D 109.5 . . ?
H9BD C9 H9BC 106.3 . . ?
H9BD C9 H9AA 137.9 . . ?
H9BD C9 H9AB 82.8 . . ?
H9BC C9 H9AA 86.2 . . ?
H9BC C9 H9AB 24.2 . . ?
H9AA C9 H9AB 107.5 . . ?
C10 C9 O2 114.8(9) . . ?
C10 C9 H9BD 33.0 . . ?
C10 C9 H9BC 127.9 . . ?
C10 C9 H9AA 108.6 . . ?
C10 C9 H9AB 108.6 . . ?
C10 C9 C10A 75.8(13) . . ?
C11 N2 Pt1 114.1(3) . . ?
C11 N2 H2 108.6 . . ?
C11 N2 C6 111.1(3) . . ?
C11 C12 H12B 109.2 . . ?
C11 C12 H12A 109.2 . . ?
H11B C11 H11A 107.8 . . ?
C12 C11 H11B 109.1 . . ?
C12 C11 H11A 109.1 . . ?
H12B C12 H12A 107.9 . . ?
C13 C12 C11 111.9(4) . . ?
C13 C12 H12B 109.2 . . ?
C13 C12 H12A 109.2 . . ?
C13 C14 H14 118.7 . . ?
C13 C14 C15 122.7(6) . . ?
C13 C18 C17 122.6(5) . . ?
C13 C18 H18 118.7 . . ?
C14 C13 C12 122.0(5) . . ?
C14 C13 C18 115.2(6) . . ?
C14 C15 H15 119.4 . . ?
C15 C14 H14 118.7 . . ?
C15 C16 O3 124.8(6) . . ?
C16 O3 C19 117.9(4) . . ?
C16 C15 C14 121.3(6) . . ?
C16 C15 H15 119.4 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(5) . . ?
C17 C16 O3 117.7(5) . . ?
C17 C16 C15 117.5(6) . . ?
C17 C18 H18 118.7 . . ?
C18 C13 C12 122.8(5) . . ?
C18 C17 H17 119.6 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C7A O1 P1 125.1(8) . . ?
C7A O1 C7 47.7(8) . . ?
C7A C8A H8AA 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
C7A C8A H8AC 109.5 . . ?
H7AA C7A H7AB 108.1 . . ?
C10A C9 H9BD 106.1 . . ?
C10A C9 H9BC 106.1 . . ?
C10A C9 H9AA 32.8 . . ?
C10A C9 H9AB 119.0 . . ?
H10F C10A H10E 109.5 . . ?
H10F C10A H10D 109.5 . . ?
H10E C10A H10D 109.5 . . ?
C8A C7A O1 110.9(16) . . ?
C8A C7A H7AA 109.5 . . ?
C8A C7A H7AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 178.5(4) . . . . ?
Pt1 N1 C5 C4 -179.3(4) . . . . ?
Pt1 N1 C5 C6 -0.7(5) . . . . ?
Pt1 N2 C6 P1 85.3(3) . . . . ?
Pt1 N2 C6 C5 -40.3(4) . . . . ?
Pt1 N2 C11 C12 -70.5(4) . . . . ?
Cl1 Pt1 N1 C1 -18.6(4) . . . . ?
Cl1 Pt1 N1 C5 162.6(3) . . . . ?
Cl1 Pt1 N2 C6 44.1(15) . . . . ?
Cl1 Pt1 N2 C11 -78.3(14) . . . . ?
Cl2 Pt1 N1 C1 -165.0(8) . . . . ?
Cl2 Pt1 N1 C5 16.1(12) . . . . ?
Cl2 Pt1 N2 C6 -144.5(3) . . . . ?
Cl2 Pt1 N2 C11 93.2(3) . . . . ?
P1 O1 C7 C8 87.5(12) . . . . ?
P1 O1 C7A C8A -128.8(14) . . . . ?
P1 O2 C9 C10 111.8(10) . . . . ?
P1 O2 C9 C10A -158.7(17) . . . . ?
O4 P1 O1 C7 -142.9(7) . . . . ?
O4 P1 O1 C7A -82.2(11) . . . . ?
O4 P1 O2 C9 -10.3(6) . . . . ?
O4 P1 C6 N2 44.7(4) . . . . ?
O4 P1 C6 C5 167.8(3) . . . . ?
O1 P1 O2 C9 -139.0(5) . . . . ?
O1 P1 C6 N2 167.8(3) . . . . ?
O1 P1 C6 C5 -69.1(4) . . . . ?
O2 P1 O1 C7 -13.9(7) . . . . ?
O2 P1 O1 C7A 46.7(11) . . . . ?
O2 P1 C6 N2 -83.0(3) . . . . ?
O2 P1 C6 C5 40.1(4) . . . . ?
O3 C16 C17 C18 -179.8(5) . . . . ?
N1 Pt1 N2 C6 31.8(3) . . . . ?
N1 Pt1 N2 C11 -90.6(3) . . . . ?
N1 C1 C2 C3 0.7(9) . . . . ?
N1 C5 C6 P1 -95.5(4) . . . . ?
N1 C5 C6 N2 28.1(5) . . . . ?
N2 Pt1 N1 C1 160.5(4) . . . . ?
N2 Pt1 N1 C5 -18.4(3) . . . . ?
N2 C11 C12 C13 -175.6(4) . . . . ?
C1 N1 C5 C4 1.7(7) . . . . ?
C1 N1 C5 C6 -179.7(4) . . . . ?
C1 C2 C3 C4 2.1(9) . . . . ?
C2 C3 C4 C5 -3.1(8) . . . . ?
C3 C4 C5 N1 1.2(8) . . . . ?
C3 C4 C5 C6 -177.3(5) . . . . ?
C4 C5 C6 P1 83.1(5) . . . . ?
C4 C5 C6 N2 -153.3(5) . . . . ?
C5 N1 C1 C2 -2.7(8) . . . . ?
C6 P1 O1 C7 97.6(7) . . . . ?
C6 P1 O1 C7A 158.3(11) . . . . ?
C6 P1 O2 C9 114.2(5) . . . . ?
C6 N2 C11 C12 170.2(4) . . . . ?
C7 O1 C7A C8A -15.3(14) . . . . ?
C11 N2 C6 P1 -150.4(3) . . . . ?
C11 N2 C6 C5 83.9(4) . . . . ?
C11 C12 C13 C14 -105.6(7) . . . . ?
C11 C12 C13 C18 71.1(7) . . . . ?
C12 C13 C14 C15 179.4(8) . . . . ?
C12 C13 C18 C17 -179.3(5) . . . . ?
C13 C14 C15 C16 -1.1(15) . . . . ?
C14 C13 C18 C17 -2.3(9) . . . . ?
C14 C15 C16 O3 -180.0(7) . . . . ?
C14 C15 C16 C17 -0.7(12) . . . . ?
C15 C16 C17 C18 0.8(9) . . . . ?
C16 C17 C18 C13 0.7(9) . . . . ?
C18 C13 C14 C15 2.5(12) . . . . ?
C19 O3 C16 C15 3.4(9) . . . . ?
C19 O3 C16 C17 -175.9(5) . . . . ?
C7A O1 C7 C8 -17.8(13) . . . . ?
####################################################################### 
# 
# 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_hkb_1
_database_code_depnum_ccdc_archive 'CCDC 1542734'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2013-09-24
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C16 H18 Cl3 N2 O3 P Pt'
_chemical_formula_sum            'C16 H18 Cl3 N2 O3 P Pt'
_chemical_formula_weight         618.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   9.6106(12)
_cell_length_b                   20.423(3)
_cell_length_c                   10.6731(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.686(2)
_cell_angle_gamma                90.00
_cell_volume                     2080.7(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3651
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.4002
_cell_measurement_theta_min      3.1106
_exptl_absorpt_coefficient_mu    7.224
_exptl_absorpt_correction_T_max  0.5957
_exptl_absorpt_correction_T_min  0.2205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13812
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.99
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3546
_reflns_number_total             4220
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.325
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         4220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0274
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0530P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0877
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.492377(19) 0.531762(9) 0.165675(17) 0.03735(9) Uani 1 1 d . . .
P1 P 0.85105(16) 0.38125(7) 0.26500(16) 0.0487(4) Uani 1 1 d . . .
N2 N 0.6015(5) 0.4553(2) 0.2455(4) 0.0383(10) Uani 1 1 d . . .
C5 C 0.7848(5) 0.5068(2) 0.1552(5) 0.0364(11) Uani 1 1 d . . .
N1 N 0.6852(4) 0.5532(2) 0.1220(4) 0.0379(9) Uani 1 1 d . . .
C11 C 0.5404(5) 0.4104(3) 0.3270(4) 0.0383(11) Uani 1 1 d . . .
C4 C 0.9218(6) 0.5165(3) 0.1365(5) 0.0440(13) Uani 1 1 d . . .
H4 H 0.9882 0.4842 0.1590 0.053 Uiso 1 1 calc R . .
C3 C 0.9611(6) 0.5747(3) 0.0838(5) 0.0492(13) Uani 1 1 d . . .
H3 H 1.0543 0.5825 0.0731 0.059 Uiso 1 1 calc R . .
C6 C 0.7317(5) 0.4504(2) 0.2214(5) 0.0379(11) Uani 1 1 d . . .
C2 C 0.8593(7) 0.6208(3) 0.0476(6) 0.0534(14) Uani 1 1 d . . .
H2 H 0.8822 0.6597 0.0094 0.064 Uiso 1 1 calc R . .
O3 O 0.7631(5) 0.3218(2) 0.3025(5) 0.0748(14) Uani 1 1 d . . .
Cl3 Cl 0.38530(17) 0.62080(8) 0.06483(15) 0.0613(4) Uani 1 1 d . . .
Cl2 Cl 0.28179(16) 0.50312(9) 0.23061(18) 0.0648(4) Uani 1 1 d . . .
Cl1 Cl 0.3421(2) 0.27449(8) 0.58301(17) 0.0788(5) Uani 1 1 d . . .
C12 C 0.5741(6) 0.4159(3) 0.4558(5) 0.0487(14) Uani 1 1 d . . .
H12 H 0.6369 0.4477 0.4893 0.058 Uiso 1 1 calc R . .
C1 C 0.7226(6) 0.6082(3) 0.0692(5) 0.0477(13) Uani 1 1 d . . .
H1 H 0.6543 0.6396 0.0458 0.057 Uiso 1 1 calc R . .
O2 O 0.9196(5) 0.4083(2) 0.3921(4) 0.0759(14) Uani 1 1 d . . .
C16 C 0.4457(6) 0.3643(3) 0.2776(5) 0.0490(14) Uani 1 1 d . . .
H16 H 0.4216 0.3619 0.1908 0.059 Uiso 1 1 calc R . .
O1 O 0.9404(5) 0.3683(2) 0.1668(5) 0.0676(12) Uani 1 1 d . . .
C13 C 0.5134(7) 0.3735(3) 0.5340(5) 0.0544(15) Uani 1 1 d . . .
H13 H 0.5352 0.3767 0.6210 0.065 Uiso 1 1 calc R . .
C14 C 0.4217(7) 0.3271(3) 0.4843(5) 0.0500(14) Uani 1 1 d . . .
C15 C 0.3863(7) 0.3216(3) 0.3549(5) 0.0560(15) Uani 1 1 d . . .
H15 H 0.3238 0.2896 0.3214 0.067 Uiso 1 1 calc R . .
C9 C 0.7361(9) 0.2641(3) 0.2190(11) 0.108(3) Uani 1 1 d . . .
H9A H 0.6469 0.2446 0.2321 0.130 Uiso 1 1 calc R . .
H9B H 0.7310 0.2778 0.1316 0.130 Uiso 1 1 calc R . .
C7 C 1.0492(12) 0.3793(5) 0.4556(12) 0.148(5) Uani 1 1 d . . .
H7A H 1.0295 0.3360 0.4867 0.177 Uiso 1 1 calc R . .
H7B H 1.1174 0.3748 0.3960 0.177 Uiso 1 1 calc R . .
C8 C 1.1049(13) 0.4199(5) 0.5583(10) 0.156(6) Uani 1 1 d . . .
H8A H 1.1047 0.4646 0.5310 0.234 Uiso 1 1 calc R . .
H8B H 1.1992 0.4066 0.5865 0.234 Uiso 1 1 calc R . .
H8C H 1.0484 0.4156 0.6263 0.234 Uiso 1 1 calc R . .
C10 C 0.8474(12) 0.2157(4) 0.2452(13) 0.144(5) Uani 1 1 d . . .
H10A H 0.9264 0.2282 0.2033 0.215 Uiso 1 1 calc R . .
H10B H 0.8140 0.1736 0.2152 0.215 Uiso 1 1 calc R . .
H10C H 0.8749 0.2136 0.3345 0.215 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 2.014(4) . ?
Pt1 N1 2.011(4) . ?
Pt1 Cl3 2.2948(14) . ?
Pt1 Cl2 2.2903(16) . ?
P1 C6 1.845(5) . ?
P1 O3 1.559(5) . ?
P1 O2 1.540(5) . ?
P1 O1 1.454(5) . ?
N2 C11 1.436(6) . ?
N2 C6 1.310(7) . ?
C5 N1 1.364(7) . ?
C5 C4 1.369(8) . ?
C5 C6 1.473(7) . ?
N1 C1 1.325(7) . ?
C11 C12 1.379(7) . ?
C11 C16 1.372(7) . ?
C4 H4 0.9300 . ?
C4 C3 1.385(8) . ?
C3 H3 0.9300 . ?
C3 C2 1.380(8) . ?
C2 H2 0.9300 . ?
C2 C1 1.385(8) . ?
O3 C9 1.482(10) . ?
Cl1 C14 1.742(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.378(8) . ?
C1 H1 0.9300 . ?
O2 C7 1.471(9) . ?
C16 H16 0.9300 . ?
C16 C15 1.370(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.360(8) . ?
C14 C15 1.388(8) . ?
C15 H15 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.458(12) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.427(12) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Pt1 Cl3 174.73(14) . . ?
N2 Pt1 Cl2 96.26(13) . . ?
N1 Pt1 N2 79.52(18) . . ?
N1 Pt1 Cl3 95.38(13) . . ?
N1 Pt1 Cl2 175.12(12) . . ?
Cl2 Pt1 Cl3 88.88(6) . . ?
O3 P1 C6 108.7(2) . . ?
O2 P1 C6 97.9(2) . . ?
O2 P1 O3 104.0(3) . . ?
O1 P1 C6 111.1(3) . . ?
O1 P1 O3 115.3(3) . . ?
O1 P1 O2 118.1(3) . . ?
C11 N2 Pt1 121.4(3) . . ?
C6 N2 Pt1 116.0(3) . . ?
C6 N2 C11 122.5(4) . . ?
N1 C5 C4 121.2(5) . . ?
N1 C5 C6 113.4(5) . . ?
C4 C5 C6 125.2(5) . . ?
C5 N1 Pt1 115.2(3) . . ?
C1 N1 Pt1 125.8(4) . . ?
C1 N1 C5 118.9(5) . . ?
C12 C11 N2 119.1(5) . . ?
C16 C11 N2 120.4(4) . . ?
C16 C11 C12 120.5(5) . . ?
C5 C4 H4 120.1 . . ?
C5 C4 C3 119.8(5) . . ?
C3 C4 H4 120.1 . . ?
C4 C3 H3 120.6 . . ?
C2 C3 C4 118.7(6) . . ?
C2 C3 H3 120.6 . . ?
N2 C6 P1 126.1(4) . . ?
N2 C6 C5 115.3(4) . . ?
C5 C6 P1 118.6(4) . . ?
C3 C2 H2 120.6 . . ?
C3 C2 C1 118.8(5) . . ?
C1 C2 H2 120.6 . . ?
C9 O3 P1 121.8(5) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 119.1(5) . . ?
C13 C12 H12 120.5 . . ?
N1 C1 C2 122.5(5) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C7 O2 P1 120.9(5) . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.7(5) . . ?
C15 C16 H16 119.7 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(5) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 Cl1 120.3(4) . . ?
C13 C14 C15 121.1(5) . . ?
C15 C14 Cl1 118.5(5) . . ?
C16 C15 C14 118.5(5) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
O3 C9 H9A 109.6 . . ?
O3 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C10 C9 O3 110.5(8) . . ?
C10 C9 H9A 109.6 . . ?
C10 C9 H9B 109.6 . . ?
O2 C7 H7A 109.7 . . ?
O2 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
C8 C7 O2 110.0(8) . . ?
C8 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N2 C11 C12 -102.0(5) . . . . ?
Pt1 N2 C11 C16 75.6(6) . . . . ?
Pt1 N2 C6 P1 -172.5(3) . . . . ?
Pt1 N2 C6 C5 8.6(5) . . . . ?
Pt1 N1 C1 C2 176.7(4) . . . . ?
P1 O3 C9 C10 88.9(9) . . . . ?
P1 O2 C7 C8 169.4(9) . . . . ?
N2 Pt1 N1 C5 5.0(3) . . . . ?
N2 Pt1 N1 C1 -172.5(4) . . . . ?
N2 C11 C12 C13 178.9(5) . . . . ?
N2 C11 C16 C15 -179.6(5) . . . . ?
C5 N1 C1 C2 -0.7(8) . . . . ?
C5 C4 C3 C2 -2.1(8) . . . . ?
N1 Pt1 N2 C11 170.5(4) . . . . ?
N1 Pt1 N2 C6 -7.6(3) . . . . ?
N1 C5 C4 C3 0.5(8) . . . . ?
N1 C5 C6 P1 176.7(3) . . . . ?
N1 C5 C6 N2 -4.3(6) . . . . ?
C11 N2 C6 P1 9.5(7) . . . . ?
C11 N2 C6 C5 -169.4(4) . . . . ?
C11 C12 C13 C14 0.0(9) . . . . ?
C11 C16 C15 C14 1.5(10) . . . . ?
C4 C5 N1 Pt1 -176.8(4) . . . . ?
C4 C5 N1 C1 0.9(7) . . . . ?
C4 C5 C6 P1 -8.8(7) . . . . ?
C4 C5 C6 N2 170.2(5) . . . . ?
C4 C3 C2 C1 2.2(9) . . . . ?
C3 C2 C1 N1 -0.8(9) . . . . ?
C6 P1 O3 C9 106.4(5) . . . . ?
C6 P1 O2 C7 -165.3(8) . . . . ?
C6 N2 C11 C12 76.0(7) . . . . ?
C6 N2 C11 C16 -106.5(6) . . . . ?
C6 C5 N1 Pt1 -2.1(5) . . . . ?
C6 C5 N1 C1 175.6(4) . . . . ?
C6 C5 C4 C3 -173.5(5) . . . . ?
O3 P1 C6 N2 15.0(5) . . . . ?
O3 P1 C6 C5 -166.2(4) . . . . ?
O3 P1 O2 C7 83.0(9) . . . . ?
Cl3 Pt1 N2 C11 -174.7(11) . . . . ?
Cl3 Pt1 N2 C6 7.2(15) . . . . ?
Cl3 Pt1 N1 C5 -173.6(3) . . . . ?
Cl3 Pt1 N1 C1 8.9(4) . . . . ?
Cl2 Pt1 N2 C11 -7.1(3) . . . . ?
Cl2 Pt1 N2 C6 174.9(3) . . . . ?
Cl2 Pt1 N1 C5 35.4(16) . . . . ?
Cl2 Pt1 N1 C1 -142.1(12) . . . . ?
Cl1 C14 C15 C16 178.0(5) . . . . ?
C12 C11 C16 C15 -2.0(9) . . . . ?
C12 C13 C14 Cl1 -178.7(5) . . . . ?
C12 C13 C14 C15 -0.5(9) . . . . ?
O2 P1 C6 N2 -92.8(5) . . . . ?
O2 P1 C6 C5 86.1(4) . . . . ?
O2 P1 O3 C9 -150.0(5) . . . . ?
C16 C11 C12 C13 1.3(8) . . . . ?
O1 P1 C6 N2 142.9(5) . . . . ?
O1 P1 C6 C5 -38.3(5) . . . . ?
O1 P1 O3 C9 -19.0(6) . . . . ?
O1 P1 O2 C7 -46.3(9) . . . . ?
C13 C14 C15 C16 -0.2(10) . . . . ?

####################################################################### 
# 
# 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_1222-CZF-HKB-PPD-11
_database_code_depnum_ccdc_archive 'CCDC 1542730'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2006-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C18 H25 Cl2 N2 O4 P Pt'
_chemical_formula_sum            'C18 H25 Cl2 N2 O4 P Pt'
_chemical_formula_weight         630.37
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pt -1.63788 8.57892 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.6883001328
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   9.22386(14)
_cell_length_b                   13.26158(18)
_cell_length_c                   18.9212(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.5961(15)
_cell_angle_gamma                90
_cell_volume                     2258.79(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7828
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4169
_cell_measurement_theta_min      3.0659
_exptl_absorpt_coefficient_mu    6.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.8535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1219.7865
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15042
_diffrn_reflns_theta_full        25.0210
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.07
_diffrn_detector_area_resol_mean 15.9784
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.9980
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -100.00  -45.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2108 -178.0000   30.0000 55

#__ type_ start__ end____ width___ exp.time_
  2 omega   -3.00   24.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2108  -99.0000  -90.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega  -19.00    8.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2108  -99.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega  -72.00   48.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2108   19.0000   30.0000 120

#__ type_ start__ end____ width___ exp.time_
  5 omega  -94.00  -64.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2108  -38.0000    0.0000 30

#__ type_ start__ end____ width___ exp.time_
  6 omega  -10.00   95.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827   38.0000  -60.0000 105
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              8
_reflns_limit_h_min              -10
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -8
_reflns_number_gt                3597
_reflns_number_total             3973
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         11.0381
_refine_diff_density_min         -2.2880
_refine_diff_density_rms         0.5128
_refine_ls_d_res_high            0.8402
_refine_ls_d_res_low             6.6308
_refine_ls_goodness_of_fit_ref   1.0348
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    41
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3973
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1241
_refine_ls_R_factor_gt           0.1175
_refine_ls_restrained_S_all      1.0348
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1366P)²+224.5084P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2747
_refine_ls_wR_factor_ref         0.2803
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2), C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7a,H7b), C15(H15a,H15b), C17(H17a,H17b)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2a), C3(H3), C4(H4), C9(H9), C10(H10), C12(H12), C13(H13)
2.d Idealised Me refined as rotating group:
 C14(H14a,H14b,H14c), C16(H16a,H16b,H16c), C18(H18a,H18b,H18c)
;
_atom_sites_solution_primary     direct
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_refinement_flags_posn
Pt1 Pt 0.91768(7) 0.19577(5) 0.77935(4) 0.0243(3) Uani 1.000000 .
Cl1 Cl 1.1165(13) 0.1083(10) 0.7564(9) 0.116(4) Uani 1.000000 .
Cl2 Cl 1.0478(12) 0.3438(8) 0.8039(7) 0.093(3) Uani 1.000000 .
P1 P 0.6097(12) 0.1282(8) 0.6254(5) 0.077(3) Uani 1.000000 .
O1 O 0.620(4) 0.147(3) 1.0605(17) 0.108(10) Uani 1.000000 .
O2 O 0.682(3) 0.048(2) 0.5945(15) 0.092(8) Uani 1.000000 .
O3 O 0.440(3) 0.137(3) 0.6027(17) 0.106(9) Uani 1.000000 .
O4 O 0.663(3) 0.237(2) 0.6141(16) 0.094(8) Uani 1.000000 .
N1 N 0.726(3) 0.255(2) 0.7963(16) 0.071(7) Uani 1.000000 .
N2 N 0.785(3) 0.070(2) 0.7527(16) 0.077(8) Uani 1.000000 .
H2 H 0.813(3) 0.040(2) 0.7150(16) 0.092(10) Uiso 1.000000 R
C1 C 0.710(4) 0.332(3) 0.834(2) 0.072(9) Uani 1.000000 .
H1 H 0.795(4) 0.366(3) 0.858(2) 0.086(11) Uiso 1.000000 R
C2 C 0.573(4) 0.368(3) 0.843(2) 0.080(10) Uani 1.000000 .
H2a H 0.567(4) 0.426(3) 0.870(2) 0.097(12) Uiso 1.000000 R
C3 C 0.454(5) 0.317(3) 0.813(2) 0.083(11) Uani 1.000000 .
H3 H 0.361(5) 0.338(3) 0.818(2) 0.100(13) Uiso 1.000000 R
C4 C 0.468(5) 0.230(3) 0.772(2) 0.081(10) Uani 1.000000 .
H4 H 0.384(5) 0.192(3) 0.752(2) 0.097(12) Uiso 1.000000 R
C5 C 0.606(4) 0.201(3) 0.763(2) 0.072(9) Uani 1.000000 .
C6 C 0.636(4) 0.109(3) 0.7253(19) 0.075(9) Uani 1.000000 .
H6 H 0.565(4) 0.057(3) 0.7332(19) 0.091(11) Uiso 1.000000 R
C7 C 0.797(5) -0.007(3) 0.813(2) 0.079(10) Uani 1.000000 .
H7a H 0.732(5) -0.064(3) 0.795(2) 0.095(12) Uiso 1.000000 R
H7b H 0.898(5) -0.033(3) 0.825(2) 0.095(12) Uiso 1.000000 R
C8 C 0.755(4) 0.036(3) 0.879(2) 0.077(10) Uani 1.000000 .
C9 C 0.602(5) 0.035(3) 0.885(2) 0.082(10) Uani 1.000000 .
H9 H 0.529(5) 0.008(3) 0.848(2) 0.098(12) Uiso 1.000000 R
C10 C 0.570(5) 0.074(3) 0.944(2) 0.086(11) Uani 1.000000 .
H10 H 0.471(5) 0.077(3) 0.947(2) 0.104(13) Uiso 1.000000 R
C11 C 0.674(5) 0.112(3) 1.000(2) 0.088(11) Uani 1.000000 .
C12 C 0.821(5) 0.111(3) 1.001(2) 0.093(12) Uani 1.000000 .
H12 H 0.892(5) 0.132(3) 1.041(2) 0.111(14) Uiso 1.000000 R
C13 C 0.860(5) 0.075(3) 0.935(2) 0.084(11) Uani 1.000000 .
H13 H 0.959(5) 0.078(3) 0.931(2) 0.101(13) Uiso 1.000000 R
C14 C 0.715(6) 0.152(4) 1.128(3) 0.121(18) Uani 1.000000 .
H14a H 0.810(16) 0.18(3) 1.122(4) 0.18(3) Uiso 1.000000 GR
H14b H 0.67(2) 0.20(3) 1.158(8) 0.18(3) Uiso 1.000000 GR
H14c H 0.73(4) 0.087(7) 1.149(10) 0.18(3) Uiso 1.000000 GR
C15 C 0.346(6) 0.068(4) 0.551(3) 0.124(18) Uani 1.000000 .
H15a H 0.354(6) 0.086(4) 0.503(3) 0.15(2) Uiso 1.000000 R
H15b H 0.383(6) 0.000(4) 0.561(3) 0.15(2) Uiso 1.000000 R
C16 C 0.190(7) 0.071(6) 0.555(4) 0.16(3) Uani 1.000000 .
H16a H 0.130(9) 0.05(4) 0.511(12) 0.24(4) Uiso 1.000000 GR
H16b H 0.175(15) 0.03(4) 0.59(2) 0.24(4) Uiso 1.000000 GR
H16c H 0.162(19) 0.139(9) 0.56(3) 0.24(4) Uiso 1.000000 GR
C17 C 0.793(5) 0.255(4) 0.581(2) 0.092(12) Uani 1.000000 .
H17a H 0.849(5) 0.312(4) 0.605(2) 0.111(14) Uiso 1.000000 R
H17b H 0.857(5) 0.196(4) 0.589(2) 0.111(14) Uiso 1.000000 R
C18 C 0.742(7) 0.275(5) 0.503(3) 0.14(2) Uani 1.000000 .
H18a H 0.82(3) 0.25(3) 0.478(4) 0.21(3) Uiso 1.000000 GR
H18b H 0.65(3) 0.24(3) 0.485(7) 0.21(3) Uiso 1.000000 GR
H18c H 0.73(5) 0.346(6) 0.495(4) 0.21(3) Uiso 1.000000 GR


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.291(11) . ?
Pt1 Cl2 2.295(10) . ?
Pt1 N1 2.02(3) . ?
Pt1 N2 2.06(3) . ?
P1 O2 1.45(3) . ?
P1 O3 1.54(3) . ?
P1 O4 1.55(3) . ?
P1 C6 1.87(4) . ?
O1 C11 1.43(5) . ?
O1 C14 1.38(5) . ?
O3 C15 1.47(5) . ?
O4 C17 1.48(5) . ?
N1 C1 1.28(4) . ?
N1 C5 1.35(4) . ?
N2 H2 0.9100 . ?
N2 C6 1.45(5) . ?
N2 C7 1.52(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.39(5) . ?
C2 H2a 0.9300 . ?
C2 C3 1.31(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.41(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.38(5) . ?
C5 C6 1.47(5) . ?
C6 H6 0.9800 . ?
C7 H7a 0.9700 . ?
C7 H7b 0.9700 . ?
C7 C8 1.50(5) . ?
C8 C9 1.44(5) . ?
C8 C13 1.37(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.32(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.36(6) . ?
C11 C12 1.35(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.45(6) . ?
C13 H13 0.9300 . ?
C14 H14a 0.9600 . ?
C14 H14b 0.9600 . ?
C14 H14c 0.9600 . ?
C15 H15a 0.9700 . ?
C15 H15b 0.9700 . ?
C15 C16 1.46(7) . ?
C16 H16a 0.9600 . ?
C16 H16b 0.9600 . ?
C16 H16c 0.9600 . ?
C17 H17a 0.9700 . ?
C17 H17b 0.9700 . ?
C17 C18 1.47(7) . ?
C18 H18a 0.9600 . ?
C18 H18b 0.9600 . ?
C18 H18c 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 93.8(4) . . ?
N1 Pt1 Cl1 172.0(9) . . ?
N1 Pt1 Cl2 94.2(9) . . ?
N2 Pt1 Cl1 90.2(9) . . ?
N2 Pt1 Cl2 174.8(9) . . ?
N2 Pt1 N1 81.7(12) . . ?
O3 P1 O2 118.6(18) . . ?
O4 P1 O2 116.2(18) . . ?
O4 P1 O3 102.7(18) . . ?
C6 P1 O2 109.6(17) . . ?
C6 P1 O3 101.1(18) . . ?
C6 P1 O4 107.1(17) . . ?
C14 O1 C11 120(4) . . ?
C15 O3 P1 123(3) . . ?
C17 O4 P1 121(3) . . ?
C1 N1 Pt1 128(3) . . ?
C5 N1 Pt1 112(2) . . ?
C5 N1 C1 120(3) . . ?
H2 N2 Pt1 107.0(9) . . ?
C6 N2 Pt1 106(2) . . ?
C6 N2 H2 107.0(19) . . ?
C7 N2 Pt1 115(2) . . ?
C7 N2 H2 107.0(19) . . ?
C7 N2 C6 114(3) . . ?
H1 C1 N1 118(2) . . ?
C2 C1 N1 124(4) . . ?
C2 C1 H1 118(2) . . ?
H2a C2 C1 121(2) . . ?
C3 C2 C1 118(4) . . ?
C3 C2 H2a 121(3) . . ?
H3 C3 C2 120(3) . . ?
C4 C3 C2 120(4) . . ?
C4 C3 H3 120(2) . . ?
H4 C4 C3 120(2) . . ?
C5 C4 C3 120(4) . . ?
C5 C4 H4 120(2) . . ?
C4 C5 N1 118(4) . . ?
C6 C5 N1 116(3) . . ?
C6 C5 C4 125(4) . . ?
N2 C6 P1 108(2) . . ?
C5 C6 P1 112(3) . . ?
C5 C6 N2 112(3) . . ?
H6 C6 P1 108.0(13) . . ?
H6 C6 N2 108(2) . . ?
H6 C6 C5 108(2) . . ?
H7a C7 N2 109.3(19) . . ?
H7b C7 N2 109(2) . . ?
H7b C7 H7a 107.94763117(4) . . ?
C8 C7 N2 112(3) . . ?
C8 C7 H7a 109(2) . . ?
C8 C7 H7b 109(2) . . ?
C9 C8 C7 120(3) . . ?
C13 C8 C7 121(4) . . ?
C13 C8 C9 119(4) . . ?
H9 C9 C8 121(2) . . ?
C10 C9 C8 118(4) . . ?
C10 C9 H9 121(3) . . ?
H10 C10 C9 118(3) . . ?
C11 C10 C9 123(4) . . ?
C11 C10 H10 118(3) . . ?
C10 C11 O1 116(4) . . ?
C12 C11 O1 121(4) . . ?
C12 C11 C10 123(4) . . ?
H12 C12 C11 122(3) . . ?
C13 C12 C11 115(4) . . ?
C13 C12 H12 122(3) . . ?
C12 C13 C8 121(4) . . ?
H13 C13 C8 119(2) . . ?
H13 C13 C12 119(3) . . ?
H14a C14 O1 109.5 . . ?
H14b C14 O1 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 O1 109.5 . . ?
H14c C14 H14a 109.5 . . ?
H14c C14 H14b 109.5 . . ?
H15a C15 O3 109(3) . . ?
H15b C15 O3 109(3) . . ?
H15b C15 H15a 107.734208(9) . . ?
C16 C15 O3 113(5) . . ?
C16 C15 H15a 109(4) . . ?
C16 C15 H15b 109(4) . . ?
H16a C16 C15 109.5 . . ?
H16b C16 C15 109.5 . . ?
H16b C16 H16a 109.5 . . ?
H16c C16 C15 109.5 . . ?
H16c C16 H16a 109.5 . . ?
H16c C16 H16b 109.5 . . ?
H17a C17 O4 110(2) . . ?
H17b C17 O4 110(2) . . ?
H17b C17 H17a 108.2 . . ?
C18 C17 O4 110(4) . . ?
C18 C17 H17a 110(3) . . ?
C18 C17 H17b 110(3) . . ?
H18a C18 C17 109.5 . . ?
H18b C18 C17 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 C17 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1542735'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2017-01-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5289)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H23 Cl4 N2 O3 P Pt'
_chemical_formula_sum            'C18 H23 Cl4 N2 O3 P Pt'
_chemical_formula_weight         683.24
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.366(3)
_cell_length_b                   11.425(4)
_cell_length_c                   14.150(5)
_cell_angle_alpha                95.168(6)
_cell_angle_beta                 106.359(6)
_cell_angle_gamma                106.779(6)
_cell_volume                     1220.7(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.668
_shelx_estimated_absorpt_T_min   0.224
_exptl_absorpt_coefficient_mu    6.272
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0774
_diffrn_reflns_Laue_measured_fraction_full 0.934
_diffrn_reflns_Laue_measured_fraction_max 0.935
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9517
_diffrn_reflns_point_group_measured_fraction_full 0.934
_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         1.527
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3616
_reflns_number_total             4172
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         4.508
_refine_diff_density_min         -4.868
_refine_diff_density_rms         0.458
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.313
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4172
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1098
_refine_ls_R_factor_gt           0.1012
_refine_ls_restrained_S_all      1.313
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2943
_refine_ls_wR_factor_ref         0.3041
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2), C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C15(H15A,H15B), C17(H17A,H17B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2A), C4(H4), C10(H10), C11(H11), C13(H13), C14(H14)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.10580(7) 0.86082(5) 0.15439(4) 0.0310(4) Uani 1 1 d . . . . .
Cl1 Cl 0.3037(7) 1.0560(5) 0.1841(5) 0.0520(13) Uani 1 1 d . . . . .
Cl2 Cl 0.3063(7) 0.7686(5) 0.1288(5) 0.0542(14) Uani 1 1 d . . . . .
Cl3 Cl -0.5449(7) 0.3634(5) 0.1152(5) 0.0618(15) Uani 1 1 d . . . . .
Cl4 Cl 0.1460(17) 1.5561(8) 0.3594(11) 0.160(6) Uani 1 1 d . . . . .
P1 P -0.1036(7) 0.8780(5) 0.3526(4) 0.0399(11) Uani 1 1 d . . . . .
O1 O -0.045(2) 1.0120(14) 0.3839(11) 0.058(4) Uani 1 1 d . . . . .
O2 O 0.043(2) 0.8171(13) 0.3838(11) 0.053(3) Uani 1 1 d . . . . .
O3 O -0.258(2) 0.7976(17) 0.3821(13) 0.066(5) Uani 1 1 d . . . . .
N1 N -0.084(2) 0.6987(12) 0.1369(11) 0.031(3) Uani 1 1 d . . . . .
N2 N -0.079(2) 0.9375(14) 0.1775(12) 0.034(3) Uani 1 1 d . . . . .
H2 H -0.0205 1.0134 0.2288 0.041 Uiso 1 1 calc R . . . .
C1 C -0.103(3) 0.5842(19) 0.0957(16) 0.047(5) Uani 1 1 d . . . . .
H1 H -0.0144 0.5739 0.0720 0.057 Uiso 1 1 calc R . . . .
C2 C -0.239(3) 0.4831(15) 0.0856(14) 0.042(4) Uani 1 1 d . . . . .
H2A H -0.2434 0.4060 0.0557 0.050 Uiso 1 1 calc R . . . .
C3 C -0.374(3) 0.4933(16) 0.1194(15) 0.041(4) Uani 1 1 d . . . . .
C4 C -0.365(2) 0.6128(16) 0.1616(13) 0.036(4) Uani 1 1 d . . . . .
H4 H -0.4564 0.6231 0.1832 0.043 Uiso 1 1 calc R . . . .
C5 C -0.221(2) 0.7133(16) 0.1703(13) 0.030(4) Uani 1 1 d . . . . .
C6 C -0.198(2) 0.8410(14) 0.2147(14) 0.032(4) Uani 1 1 d . . . . .
H6 H -0.3141 0.8518 0.1961 0.038 Uiso 1 1 calc R . . . .
C7 C -0.175(2) 0.9681(16) 0.0809(15) 0.039(4) Uani 1 1 d . . . . .
H7A H -0.2564 0.8914 0.0364 0.047 Uiso 1 1 calc R . . . .
H7B H -0.0905 1.0066 0.0488 0.047 Uiso 1 1 calc R . . . .
C8 C -0.280(2) 1.0561(16) 0.0957(14) 0.039(4) Uani 1 1 d . . . . .
H8A H -0.3363 1.0733 0.0311 0.047 Uiso 1 1 calc R . . . .
H8B H -0.3712 1.0148 0.1225 0.047 Uiso 1 1 calc R . . . .
C9 C -0.164(2) 1.1770(17) 0.1655(15) 0.041(4) Uani 1 1 d . . . . .
C10 C -0.216(4) 1.222(2) 0.242(2) 0.060(6) Uani 1 1 d . . . . .
H10 H -0.3173 1.1735 0.2524 0.072 Uiso 1 1 calc R . . . .
C11 C -0.121(4) 1.339(3) 0.304(2) 0.075(8) Uani 1 1 d . . . . .
H11 H -0.1592 1.3688 0.3537 0.090 Uiso 1 1 calc R . . . .
C12 C 0.025(4) 1.404(3) 0.289(3) 0.085(10) Uani 1 1 d . . . . .
C13 C 0.092(4) 1.365(2) 0.214(3) 0.081(8) Uani 1 1 d . . . . .
H13 H 0.1963 1.4131 0.2059 0.097 Uiso 1 1 calc R . . . .
C14 C -0.012(3) 1.251(2) 0.153(2) 0.065(6) Uani 1 1 d . . . . .
H14 H 0.0235 1.2226 0.1014 0.078 Uiso 1 1 calc R . . . .
C15 C 0.231(3) 0.884(3) 0.4235(18) 0.073(8) Uani 1 1 d . . . . .
H15A H 0.2531 0.9729 0.4293 0.087 Uiso 1 1 calc R . . . .
H15B H 0.2902 0.8593 0.3790 0.087 Uiso 1 1 calc R . . . .
C16 C 0.300(4) 0.853(4) 0.524(2) 0.106(12) Uani 1 1 d . . . . .
H16A H 0.2528 0.7654 0.5208 0.159 Uiso 1 1 calc GR . . . .
H16B H 0.2658 0.8969 0.5720 0.159 Uiso 1 1 calc GR . . . .
H16C H 0.4266 0.8784 0.5442 0.159 Uiso 1 1 calc GR . . . .
C17 C -0.245(5) 0.736(3) 0.469(2) 0.094(11) Uani 1 1 d . . . . .
H17A H -0.1277 0.7285 0.4910 0.113 Uiso 1 1 calc R . . . .
H17B H -0.2543 0.7893 0.5226 0.113 Uiso 1 1 calc R . . . .
C18 C -0.346(7) 0.638(7) 0.458(6) 0.33(7) Uani 1 1 d . . . . .
H18A H -0.3916 0.6005 0.3882 0.501 Uiso 1 1 calc GR . . . .
H18B H -0.4409 0.6457 0.4807 0.501 Uiso 1 1 calc GR . . . .
H18C H -0.2895 0.5872 0.4958 0.501 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.280(5) . ?
Pt1 Cl2 2.313(5) . ?
Pt1 N1 2.004(14) . ?
Pt1 N2 2.072(15) . ?
Cl3 C3 1.724(18) . ?
Cl4 C12 1.77(3) . ?
P1 O1 1.450(15) . ?
P1 O2 1.560(16) . ?
P1 O3 1.542(16) . ?
P1 C6 1.843(19) . ?
O2 C15 1.45(3) . ?
O3 C17 1.46(3) . ?
N1 C1 1.33(2) . ?
N1 C5 1.40(2) . ?
N2 H2 0.9800 . ?
N2 C6 1.50(2) . ?
N2 C7 1.50(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.33(3) . ?
C2 H2A 0.9300 . ?
C2 C3 1.37(3) . ?
C3 C4 1.41(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.37(2) . ?
C5 C6 1.47(2) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.54(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.51(3) . ?
C9 C10 1.39(3) . ?
C9 C14 1.37(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.40(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.32(4) . ?
C12 C13 1.43(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.39(4) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.49(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.15(6) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pt1 Cl2 92.4(2) . . ?
N1 Pt1 Cl1 173.0(4) . . ?
N1 Pt1 Cl2 94.2(4) . . ?
N1 Pt1 N2 83.9(6) . . ?
N2 Pt1 Cl1 89.5(4) . . ?
N2 Pt1 Cl2 178.0(4) . . ?
O1 P1 O2 115.1(10) . . ?
O1 P1 O3 118.6(10) . . ?
O1 P1 C6 108.3(8) . . ?
O2 P1 C6 107.7(8) . . ?
O3 P1 O2 105.0(9) . . ?
O3 P1 C6 100.9(9) . . ?
C15 O2 P1 125.4(16) . . ?
C17 O3 P1 127(2) . . ?
C1 N1 Pt1 130.7(13) . . ?
C1 N1 C5 116.7(15) . . ?
C5 N1 Pt1 112.4(10) . . ?
Pt1 N2 H2 109.7 . . ?
C6 N2 Pt1 105.1(10) . . ?
C6 N2 H2 109.7 . . ?
C6 N2 C7 113.0(14) . . ?
C7 N2 Pt1 109.4(11) . . ?
C7 N2 H2 109.7 . . ?
N1 C1 H1 117.3 . . ?
N1 C1 C2 125.3(18) . . ?
C2 C1 H1 117.3 . . ?
C1 C2 H2A 120.2 . . ?
C1 C2 C3 119.6(17) . . ?
C3 C2 H2A 120.2 . . ?
C2 C3 Cl3 121.0(14) . . ?
C2 C3 C4 118.5(16) . . ?
C4 C3 Cl3 120.5(15) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.0(17) . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C6 115.9(13) . . ?
C4 C5 N1 120.8(16) . . ?
C4 C5 C6 123.3(15) . . ?
P1 C6 H6 107.9 . . ?
N2 C6 P1 105.8(12) . . ?
N2 C6 H6 107.9 . . ?
C5 C6 P1 114.3(11) . . ?
C5 C6 N2 112.6(13) . . ?
C5 C6 H6 107.9 . . ?
N2 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
N2 C7 C8 113.2(16) . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C9 C8 C7 112.4(16) . . ?
C9 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C10 C9 C8 120(2) . . ?
C14 C9 C8 123.0(19) . . ?
C14 C9 C10 117(2) . . ?
C9 C10 H10 118.9 . . ?
C9 C10 C11 122(2) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 H11 121.3 . . ?
C12 C11 C10 117(3) . . ?
C12 C11 H11 121.3 . . ?
C11 C12 Cl4 120(3) . . ?
C11 C12 C13 125(3) . . ?
C13 C12 Cl4 115(3) . . ?
C12 C13 H13 122.7 . . ?
C14 C13 C12 115(3) . . ?
C14 C13 H13 122.7 . . ?
C9 C14 C13 124(2) . . ?
C9 C14 H14 118.1 . . ?
C13 C14 H14 118.1 . . ?
O2 C15 H15A 110.1 . . ?
O2 C15 H15B 110.1 . . ?
O2 C15 C16 108(2) . . ?
H15A C15 H15B 108.4 . . ?
C16 C15 H15A 110.1 . . ?
C16 C15 H15B 110.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O3 C17 H17A 107.9 . . ?
O3 C17 H17B 107.9 . . ?
H17A C17 H17B 107.2 . . ?
C18 C17 O3 117(4) . . ?
C18 C17 H17A 107.9 . . ?
C18 C17 H17B 107.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -177.9(15) . . . . ?
Pt1 N1 C5 C4 178.1(13) . . . . ?
Pt1 N1 C5 C6 -2.3(18) . . . . ?
Pt1 N2 C6 P1 91.9(9) . . . . ?
Pt1 N2 C6 C5 -33.7(16) . . . . ?
Pt1 N2 C7 C8 -164.8(12) . . . . ?
Cl3 C3 C4 C5 175.4(14) . . . . ?
Cl4 C12 C13 C14 -175(2) . . . . ?
P1 O2 C15 C16 121(2) . . . . ?
P1 O3 C17 C18 -142(6) . . . . ?
O1 P1 O2 C15 -12(2) . . . . ?
O1 P1 O3 C17 -96(2) . . . . ?
O1 P1 C6 N2 40.5(13) . . . . ?
O1 P1 C6 C5 165.1(12) . . . . ?
O2 P1 O3 C17 34(2) . . . . ?
O2 P1 C6 N2 -84.6(11) . . . . ?
O2 P1 C6 C5 39.9(13) . . . . ?
O3 P1 O2 C15 -144.1(18) . . . . ?
O3 P1 C6 N2 165.7(11) . . . . ?
O3 P1 C6 C5 -69.8(13) . . . . ?
N1 C1 C2 C3 0(3) . . . . ?
N1 C5 C6 P1 -95.6(15) . . . . ?
N1 C5 C6 N2 25(2) . . . . ?
N2 C7 C8 C9 58(2) . . . . ?
C1 N1 C5 C4 1(3) . . . . ?
C1 N1 C5 C6 -179.4(16) . . . . ?
C1 C2 C3 Cl3 -175.7(16) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
C2 C3 C4 C5 -2(3) . . . . ?
C3 C4 C5 N1 1(3) . . . . ?
C3 C4 C5 C6 -178.9(16) . . . . ?
C4 C5 C6 P1 84.0(19) . . . . ?
C4 C5 C6 N2 -155.1(17) . . . . ?
C5 N1 C1 C2 -1(3) . . . . ?
C6 P1 O2 C15 109.0(17) . . . . ?
C6 P1 O3 C17 146(2) . . . . ?
C6 N2 C7 C8 78.5(18) . . . . ?
C7 N2 C6 P1 -148.8(12) . . . . ?
C7 N2 C6 C5 85.6(17) . . . . ?
C7 C8 C9 C10 -132(2) . . . . ?
C7 C8 C9 C14 52(3) . . . . ?
C8 C9 C10 C11 -175(2) . . . . ?
C8 C9 C14 C13 177(2) . . . . ?
C9 C10 C11 C12 -2(4) . . . . ?
C10 C9 C14 C13 1(4) . . . . ?
C10 C11 C12 Cl4 176(2) . . . . ?
C10 C11 C12 C13 1(5) . . . . ?
C11 C12 C13 C14 1(5) . . . . ?
C12 C13 C14 C9 -2(4) . . . . ?
C14 C9 C10 C11 1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa
_database_code_depnum_ccdc_archive 'CCDC 1542733'

_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2017-04-05
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2010.10.27 svn.r1485, GUI svn.r3319)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H22 Cl3 N2 O3 P Pt'
_chemical_formula_sum            'C17 H22 Cl3 N2 O3 P Pt'
_chemical_formula_weight         634.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   8.7652(3)
_cell_length_b                   14.5838(6)
_cell_length_c                   19.6786(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.450(2)
_cell_angle_gamma                90.00
_cell_volume                     2252.20(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7548
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2279
_cell_measurement_theta_min      2.9417
_exptl_absorpt_coefficient_mu    6.676
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.14788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_special_details           ?
_diffrn_reflns_av_R_equivalents  0.1443
_diffrn_reflns_av_unetI/netI     0.0893
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21702
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.95
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9784
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -41.00   31.60   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2889   57.0000    0.0000 66

#__ type_ start__ end____ width___ exp.time_
  2 omega  -13.00   21.10   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2889  -99.0000    0.0000 31

#__ type_ start__ end____ width___ exp.time_
  3 omega   -1.00   91.40   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827   57.0000 -150.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega    7.00   52.10   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827   38.0000 -150.0000 41

#__ type_ start__ end____ width___ exp.time_
  5 omega    0.00   86.90   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827   57.0000  -60.0000 79

#__ type_ start__ end____ width___ exp.time_
  6 omega  -41.00  -12.40   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827  -38.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
  7 omega  -48.00   44.40   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827  -57.0000   60.0000 84

#__ type_ start__ end____ width___ exp.time_
  8 omega   -2.00   68.40   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827   57.0000   90.0000 64

#__ type_ start__ end____ width___ exp.time_
  9 omega   35.00   98.80   1.1000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3827  178.0000  -60.0000 58
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0525472000
_diffrn_orient_matrix_UB_12      -0.0017860000
_diffrn_orient_matrix_UB_13      -0.0306135000
_diffrn_orient_matrix_UB_21      -0.0605799000
_diffrn_orient_matrix_UB_22      -0.0101047000
_diffrn_orient_matrix_UB_23      -0.0252709000
_diffrn_orient_matrix_UB_31      -0.0110052000
_diffrn_orient_matrix_UB_32      0.0475615000
_diffrn_orient_matrix_UB_33      -0.0065321000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3271
_reflns_number_total             4587
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         4.221
_refine_diff_density_min         -4.682
_refine_diff_density_rms         0.342
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4587
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0898
_refine_ls_restrained_S_all      1.140
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1901P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2661
_refine_ls_wR_factor_ref         0.3076
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.59863(5) 0.29329(3) -0.26560(3) 0.0456(2) Uani 1 1 d . . .
Cl1 Cl -0.7136(5) 0.1513(2) -0.2672(3) 0.0798(12) Uani 1 1 d . . .
Cl2 Cl -0.4046(4) 0.2364(3) -0.3036(2) 0.0661(9) Uani 1 1 d . . .
Cl3 Cl -1.3002(8) 0.5804(7) -0.4423(4) 0.158(3) Uani 1 1 d . . .
P1 P -0.3604(4) 0.4528(2) -0.1118(2) 0.0538(9) Uani 1 1 d . . .
O1 O -0.2086(12) 0.4281(9) -0.1204(6) 0.070(3) Uani 1 1 d . . .
O2 O -0.4286(14) 0.3780(8) -0.0751(7) 0.082(3) Uani 1 1 d U . .
O3 O -0.3614(14) 0.5415(8) -0.0689(7) 0.088(4) Uani 1 1 d U . .
N1 N -0.7576(13) 0.3584(7) -0.2333(7) 0.051(3) Uani 1 1 d . . .
N2 N -0.5038(12) 0.4224(8) -0.2618(6) 0.048(2) Uani 1 1 d . . .
H2 H -0.3885 0.4182 -0.2423 0.058 Uiso 1 1 d R . .
C1 C -0.8975(14) 0.3292(12) -0.2332(7) 0.056(4) Uani 1 1 d . . .
H1 H -0.9283 0.2685 -0.2467 0.067 Uiso 1 1 calc R . .
C2 C -1.0034(17) 0.3819(10) -0.2144(11) 0.071(5) Uani 1 1 d . . .
H2A H -1.1031 0.3579 -0.2158 0.085 Uiso 1 1 calc R . .
C3 C -0.9557(16) 0.4720(10) -0.1931(9) 0.064(4) Uani 1 1 d . . .
H3 H -1.0251 0.5102 -0.1810 0.077 Uiso 1 1 calc R . .
C4 C -0.8073(16) 0.5046(9) -0.1900(8) 0.057(3) Uani 1 1 d . . .
H4 H -0.7749 0.5650 -0.1760 0.068 Uiso 1 1 calc R . .
C5 C -0.7052(15) 0.4471(8) -0.2078(8) 0.048(3) Uani 1 1 d . . .
C6 C -0.5434(15) 0.4762(9) -0.2057(8) 0.049(3) Uani 1 1 d . . .
H6 H -0.5480 0.5419 -0.2172 0.058 Uiso 1 1 calc R . .
C7 C -0.5703(17) 0.4702(11) -0.3382(8) 0.057(4) Uani 1 1 d . . .
H7B H -0.5026 0.5247 -0.3331 0.069 Uiso 1 1 calc R . .
H7A H -0.5570 0.4297 -0.3743 0.069 Uiso 1 1 calc R . .
C8 C -0.7556(17) 0.4973(9) -0.3687(7) 0.053(3) Uani 1 1 d . . .
C9 C -0.795(2) 0.5861(11) -0.3587(9) 0.071(4) Uani 1 1 d . . .
H9 H -0.7082 0.6288 -0.3365 0.085 Uiso 1 1 calc R . .
C10 C -0.960(3) 0.6127(13) -0.3806(10) 0.092(6) Uani 1 1 d . . .
H10 H -0.9835 0.6733 -0.3739 0.111 Uiso 1 1 calc R . .
C11 C -1.088(3) 0.5527(15) -0.4116(12) 0.099(6) Uani 1 1 d . . .
C12 C -1.052(2) 0.4627(15) -0.4258(12) 0.095(7) Uani 1 1 d . . .
H12 H -1.1399 0.4213 -0.4510 0.113 Uiso 1 1 calc R . .
C13 C -0.884(2) 0.4364(12) -0.4020(11) 0.078(5) Uani 1 1 d . . .
H13 H -0.8599 0.3761 -0.4090 0.094 Uiso 1 1 calc R . .
C14 C -0.358(3) 0.2927(14) -0.0527(13) 0.111(7) Uani 1 1 d DU . .
H14A H -0.2769 0.2813 -0.0728 0.134 Uiso 1 1 calc R . .
H14B H -0.4469 0.2466 -0.0733 0.134 Uiso 1 1 calc R . .
C15 C -0.263(5) 0.284(2) 0.0386(14) 0.176(13) Uani 1 1 d DU . .
H15B H -0.1563 0.3161 0.0580 0.263 Uiso 1 1 calc R . .
H15A H -0.2430 0.2206 0.0526 0.263 Uiso 1 1 calc R . .
H15C H -0.3334 0.3104 0.0595 0.263 Uiso 1 1 calc R . .
C16 C -0.226(4) 0.5717(15) -0.0146(19) 0.155(10) Uani 1 1 d DU . .
H16B H -0.1318 0.5584 -0.0262 0.186 Uiso 1 1 calc R . .
H16A H -0.2069 0.5371 0.0306 0.186 Uiso 1 1 calc R . .
C17 C -0.218(4) 0.6776(14) 0.0055(17) 0.138(10) Uani 1 1 d DU . .
H17A H -0.1127 0.6908 0.0490 0.206 Uiso 1 1 calc R . .
H17B H -0.3117 0.6927 0.0166 0.206 Uiso 1 1 calc R . .
H17C H -0.2264 0.7134 -0.0369 0.206 Uiso 1 1 calc R . .


_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 Cl1 2.298(3) . ?
Pt1 Cl2 2.296(3) . ?
Pt1 N1 2.009(10) . ?
Pt1 N2 2.047(11) . ?
Cl3 C11 1.73(2) . ?
P1 O1 1.458(10) . ?
P1 O2 1.566(11) . ?
P1 O3 1.547(12) . ?
P1 C6 1.861(14) . ?
O2 C14 1.37(2) . ?
O3 C16 1.27(3) . ?
N1 C1 1.300(14) . ?
N1 C5 1.388(16) . ?
N2 H2 0.9100 . ?
N2 C6 1.515(16) . ?
N2 C7 1.517(18) . ?
C1 H1 0.9300 . ?
C1 C2 1.375(19) . ?
C2 H2A 0.9300 . ?
C2 C3 1.39(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.360(17) . ?
C4 H4 0.9300 . ?
C4 C5 1.381(16) . ?
C5 C6 1.463(16) . ?
C6 H6 0.9800 . ?
C7 H7B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 C8 1.511(19) . ?
C8 C9 1.38(2) . ?
C8 C13 1.35(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.37(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.34(3) . ?
C11 C12 1.41(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.38(2) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.614(18) . ?
C15 H15B 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 C17 1.589(18) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt1 N2 H2 108.0 . . ?
Cl2 Pt1 Cl1 93.08(13) . . ?
P1 C6 H6 109.7 . . ?
O1 P1 O2 115.9(7) . . ?
O1 P1 O3 119.7(6) . . ?
O1 P1 C6 111.0(6) . . ?
O2 P1 C6 104.4(6) . . ?
O2 C14 H14A 109.4 . . ?
O2 C14 H14B 109.4 . . ?
O2 C14 C15 111.4(18) . . ?
O3 P1 O2 103.6(7) . . ?
O3 P1 C6 100.1(6) . . ?
O3 C16 H16B 107.9 . . ?
O3 C16 H16A 107.8 . . ?
O3 C16 C17 118(2) . . ?
N1 Pt1 Cl1 93.9(3) . . ?
N1 Pt1 Cl2 173.0(3) . . ?
N1 Pt1 N2 83.2(4) . . ?
N1 C1 H1 117.7 . . ?
N1 C1 C2 124.6(15) . . ?
N1 C5 C6 116.2(10) . . ?
N2 Pt1 Cl1 177.1(3) . . ?
N2 Pt1 Cl2 89.8(3) . . ?
N2 C6 P1 104.6(8) . . ?
N2 C6 H6 109.7 . . ?
N2 C7 H7B 109.1 . . ?
N2 C7 H7A 109.1 . . ?
C1 N1 Pt1 129.3(10) . . ?
C1 N1 C5 117.7(11) . . ?
C1 C2 H2A 121.3 . . ?
C1 C2 C3 117.5(13) . . ?
C2 C1 H1 117.7 . . ?
C2 C3 H3 120.1 . . ?
C3 C2 H2A 121.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(12) . . ?
C4 C3 C2 119.9(12) . . ?
C4 C3 H3 120.1 . . ?
C4 C5 N1 120.6(11) . . ?
C4 C5 C6 123.1(11) . . ?
C5 N1 Pt1 112.9(7) . . ?
C5 C4 H4 120.3 . . ?
C5 C6 P1 111.7(9) . . ?
C5 C6 N2 111.2(10) . . ?
C5 C6 H6 109.7 . . ?
C6 N2 Pt1 106.4(7) . . ?
C6 N2 H2 107.5 . . ?
C6 N2 C7 111.9(10) . . ?
C7 N2 Pt1 114.6(8) . . ?
C7 N2 H2 108.3 . . ?
H7B C7 H7A 107.8 . . ?
C8 C7 N2 112.6(11) . . ?
C8 C7 H7B 109.1 . . ?
C8 C7 H7A 109.1 . . ?
C8 C9 H9 119.3 . . ?
C8 C13 C12 120.8(17) . . ?
C8 C13 H13 119.6 . . ?
C9 C8 C7 119.0(13) . . ?
C9 C10 H10 119.6 . . ?
C10 C9 C8 121.4(16) . . ?
C10 C9 H9 119.3 . . ?
C10 C11 Cl3 124.1(17) . . ?
C10 C11 C12 118.8(19) . . ?
C11 C10 C9 120.8(18) . . ?
C11 C10 H10 119.6 . . ?
C11 C12 H12 120.3 . . ?
C12 C11 Cl3 116.9(18) . . ?
C12 C13 H13 119.6 . . ?
C13 C8 C7 122.5(14) . . ?
C13 C8 C9 118.4(15) . . ?
C13 C12 C11 119.5(18) . . ?
C13 C12 H12 120.3 . . ?
C14 O2 P1 124.8(13) . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H15B C15 H15A 109.5 . . ?
H15B C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
C16 O3 P1 121.3(14) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H16B C16 H16A 107.2 . . ?
C17 C16 H16B 107.9 . . ?
C17 C16 H16A 107.8 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -175.5(13) . . . . ?
Pt1 N1 C5 C4 174.0(11) . . . . ?
Pt1 N1 C5 C6 -2.5(15) . . . . ?
Pt1 N2 C6 P1 87.0(7) . . . . ?
Pt1 N2 C6 C5 -33.8(11) . . . . ?
Pt1 N2 C7 C8 70.5(13) . . . . ?
Cl1 Pt1 N1 C1 -14.3(12) . . . . ?
Cl1 Pt1 N1 C5 165.6(9) . . . . ?
Cl1 Pt1 N2 C6 19(7) . . . . ?
Cl1 Pt1 N2 C7 -106(6) . . . . ?
Cl2 Pt1 N1 C1 161(2) . . . . ?
Cl2 Pt1 N1 C5 -19(4) . . . . ?
Cl2 Pt1 N2 C6 -154.8(7) . . . . ?
Cl2 Pt1 N2 C7 81.0(8) . . . . ?
Cl3 C11 C12 C13 -179.5(16) . . . . ?
P1 O2 C14 C15 109(2) . . . . ?
P1 O3 C16 C17 157(2) . . . . ?
O1 P1 O2 C14 -1.4(18) . . . . ?
O1 P1 O3 C16 -31(3) . . . . ?
O1 P1 C6 N2 25.1(10) . . . . ?
O1 P1 C6 C5 145.5(9) . . . . ?
O2 P1 O3 C16 99(2) . . . . ?
O2 P1 C6 N2 -100.5(8) . . . . ?
O2 P1 C6 C5 20.0(11) . . . . ?
O3 P1 O2 C14 -134.6(15) . . . . ?
O3 P1 C6 N2 152.5(8) . . . . ?
O3 P1 C6 C5 -87.0(10) . . . . ?
N1 Pt1 N2 C6 25.8(8) . . . . ?
N1 Pt1 N2 C7 -98.4(9) . . . . ?
N1 C1 C2 C3 -1(2) . . . . ?
N1 C5 C6 P1 -91.6(13) . . . . ?
N1 C5 C6 N2 24.9(16) . . . . ?
N2 Pt1 N1 C1 166.1(13) . . . . ?
N2 Pt1 N1 C5 -14.0(9) . . . . ?
N2 C7 C8 C9 98.1(16) . . . . ?
N2 C7 C8 C13 -78.3(19) . . . . ?
C1 N1 C5 C4 -6.1(19) . . . . ?
C1 N1 C5 C6 177.5(12) . . . . ?
C1 C2 C3 C4 -1(2) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C3 C4 C5 N1 4(2) . . . . ?
C3 C4 C5 C6 -179.8(13) . . . . ?
C4 C5 C6 P1 92.0(14) . . . . ?
C4 C5 C6 N2 -151.5(13) . . . . ?
C5 N1 C1 C2 5(2) . . . . ?
C6 P1 O2 C14 121.0(15) . . . . ?
C6 P1 O3 C16 -153(2) . . . . ?
C6 N2 C7 C8 -50.7(14) . . . . ?
C7 N2 C6 P1 -147.2(8) . . . . ?
C7 N2 C6 C5 92.0(12) . . . . ?
C7 C8 C9 C10 -175.6(15) . . . . ?
C7 C8 C13 C12 176.8(16) . . . . ?
C8 C9 C10 C11 1(3) . . . . ?
C9 C8 C13 C12 0(3) . . . . ?
C9 C10 C11 Cl3 -179.0(15) . . . . ?
C9 C10 C11 C12 -4(3) . . . . ?
C10 C11 C12 C13 5(3) . . . . ?
C11 C12 C13 C8 -3(3) . . . . ?
C13 C8 C9 C10 1(2) . . . . ?

####################################################################### 
# 
# 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_04
_database_code_depnum_ccdc_archive 'CCDC 1542731'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2016-09-05
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H26 Cl3 N2 O4 P Pt'
_chemical_formula_sum            'C19 H26 Cl3 N2 O4 P Pt'
_chemical_formula_weight         678.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   8.5496(10)
_cell_length_b                   11.5478(14)
_cell_length_c                   12.5966(15)
_cell_angle_alpha                83.444(2)
_cell_angle_beta                 85.190(2)
_cell_angle_gamma                71.014(2)
_cell_volume                     1166.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.48
_cell_measurement_theta_min      2.52
_exptl_absorpt_coefficient_mu    6.453
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13964
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         1.63
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                4480
_reflns_number_total             4816
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         1.495
_refine_diff_density_min         -1.240
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4816
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0260
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0437P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0724
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.501953(14) 0.157488(11) 0.665616(10) 0.03068(7) Uani 1 1 d . . .
Cl1 Cl 0.71610(12) 0.23994(11) 0.63468(10) 0.0484(3) Uani 1 1 d . . .
Cl2 Cl 0.68315(14) -0.03614(10) 0.69783(10) 0.0510(3) Uani 1 1 d . . .
Cl3 Cl -0.12051(14) 0.66067(9) 0.62001(10) 0.0550(3) Uani 1 1 d . . .
P P 0.12809(13) 0.19172(9) 0.86949(8) 0.0379(2) Uani 1 1 d . . .
O3 O 0.2545(5) 0.2478(4) 0.9059(3) 0.0675(10) Uani 1 1 d . . .
O1 O -0.0420(4) 0.2560(4) 0.9013(3) 0.0707(10) Uani 1 1 d . . .
O2 O 0.1966(6) 0.0523(3) 0.9032(3) 0.0722(11) Uani 1 1 d . . .
O4 O 0.4358(5) -0.4687(3) 0.8808(3) 0.0752(11) Uani 1 1 d . . .
N1 N 0.3191(4) 0.3195(3) 0.6450(3) 0.0317(6) Uani 1 1 d . . .
N2 N 0.3063(4) 0.0909(3) 0.6864(2) 0.0277(6) Uani 1 1 d . . .
H2 H 0.3296 0.0272 0.7386 0.033 Uiso 1 1 calc R . .
C2 C 0.2019(5) 0.5341(3) 0.5942(4) 0.0436(9) Uani 1 1 d . . .
H2A H 0.2162 0.6082 0.5659 0.052 Uiso 1 1 calc R . .
C15 C 0.2233(6) -0.2891(4) 0.8332(4) 0.0591(12) Uani 1 1 d . . .
H15 H 0.1644 -0.3062 0.8952 0.071 Uiso 1 1 calc R . .
C6 C 0.1554(4) 0.1907(3) 0.7233(3) 0.0297(7) Uani 1 1 d . . .
H6 H 0.0577 0.1786 0.6970 0.036 Uiso 1 1 calc R . .
C7 C 0.2167(11) 0.0014(7) 1.0144(6) 0.100(2) Uani 1 1 d . . .
H7A H 0.2404 0.0594 1.0553 0.120 Uiso 1 1 calc R . .
H7B H 0.1139 -0.0104 1.0439 0.120 Uiso 1 1 calc R . .
C8 C 0.3435(15) -0.1101(7) 1.0247(8) 0.138(4) Uani 1 1 d . . .
H8A H 0.4365 -0.1054 0.9782 0.207 Uiso 1 1 calc R . .
H8B H 0.3055 -0.1742 1.0056 0.207 Uiso 1 1 calc R . .
H8C H 0.3761 -0.1278 1.0974 0.207 Uiso 1 1 calc R . .
C9 C 0.2031(15) 0.3581(9) 0.9623(8) 0.122(3) Uani 1 1 d . . .
H9A H 0.2748 0.4070 0.9383 0.147 Uiso 1 1 calc R . .
H9B H 0.0912 0.4066 0.9441 0.147 Uiso 1 1 calc R . .
C19 C 0.5896(9) -0.5581(5) 0.8582(5) 0.0827(19) Uani 1 1 d . . .
H19A H 0.5791 -0.6022 0.8004 0.124 Uiso 1 1 calc R . .
H19B H 0.6222 -0.6146 0.9205 0.124 Uiso 1 1 calc R . .
H19C H 0.6718 -0.5184 0.8382 0.124 Uiso 1 1 calc R . .
C4 C 0.0255(5) 0.4170(3) 0.6662(3) 0.0353(8) Uani 1 1 d . . .
H4 H -0.0795 0.4119 0.6860 0.042 Uiso 1 1 calc R . .
C5 C 0.1650(4) 0.3133(3) 0.6751(3) 0.0291(7) Uani 1 1 d . . .
C11 C 0.2765(5) 0.0442(3) 0.5851(3) 0.0360(8) Uani 1 1 d . . .
H11A H 0.3826 -0.0013 0.5528 0.043 Uiso 1 1 calc R . .
H11B H 0.2252 0.1141 0.5351 0.043 Uiso 1 1 calc R . .
C13 C 0.2408(5) -0.1545(3) 0.6752(3) 0.0359(8) Uani 1 1 d . . .
C17 C 0.4651(5) -0.3414(4) 0.7176(4) 0.0466(10) Uani 1 1 d . . .
H17 H 0.5701 -0.3940 0.7005 0.056 Uiso 1 1 calc R . .
C3 C 0.0470(5) 0.5281(3) 0.6269(3) 0.0363(8) Uani 1 1 d . . .
C12 C 0.1676(5) -0.0382(4) 0.6020(4) 0.0407(9) Uani 1 1 d . . .
H12A H 0.1506 -0.0610 0.5331 0.049 Uiso 1 1 calc R . .
H12B H 0.0603 0.0078 0.6324 0.049 Uiso 1 1 calc R . .
C16 C 0.3777(6) -0.3683(4) 0.8082(4) 0.0475(10) Uani 1 1 d . . .
C18 C 0.3953(5) -0.2351(4) 0.6517(4) 0.0429(9) Uani 1 1 d . . .
H18 H 0.4545 -0.2178 0.5900 0.051 Uiso 1 1 calc R . .
C14 C 0.1556(6) -0.1838(4) 0.7660(4) 0.0512(11) Uani 1 1 d . . .
H14 H 0.0500 -0.1317 0.7828 0.061 Uiso 1 1 calc R . .
C1 C 0.3351(5) 0.4284(4) 0.6042(4) 0.0424(9) Uani 1 1 d . . .
H1 H 0.4401 0.4322 0.5821 0.051 Uiso 1 1 calc R . .
C10 C 0.2077(13) 0.3331(11) 1.0738(8) 0.142(4) Uani 1 1 d . . .
H10A H 0.3202 0.2938 1.0932 0.213 Uiso 1 1 calc R . .
H10B H 0.1434 0.2798 1.0977 0.213 Uiso 1 1 calc R . .
H10C H 0.1625 0.4087 1.1070 0.213 Uiso 1 1 calc R . .


_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 Cl1 2.3109(10) . ?
Pt1 Cl2 2.2823(10) . ?
Pt1 N1 2.016(3) . ?
Pt1 N2 2.044(3) . ?
Cl3 C3 1.722(4) . ?
P O3 1.550(4) . ?
P O1 1.447(3) . ?
P O2 1.545(3) . ?
P C6 1.838(4) . ?
O3 C9 1.453(9) . ?
O2 C7 1.458(7) . ?
O4 C19 1.413(7) . ?
O4 C16 1.373(6) . ?
N1 C5 1.363(5) . ?
N1 C1 1.348(5) . ?
N2 H2 0.9100 . ?
N2 C6 1.504(4) . ?
N2 C11 1.512(5) . ?
C2 H2A 0.9300 . ?
C2 C3 1.375(6) . ?
C2 C1 1.374(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.374(6) . ?
C15 C14 1.386(7) . ?
C6 H6 0.9800 . ?
C6 C5 1.500(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.388(11) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.403(14) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C4 H4 0.9300 . ?
C4 C5 1.389(5) . ?
C4 C3 1.385(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.521(6) . ?
C13 C12 1.521(6) . ?
C13 C18 1.377(6) . ?
C13 C14 1.373(6) . ?
C17 H17 0.9300 . ?
C17 C16 1.373(6) . ?
C17 C18 1.387(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C18 H18 0.9300 . ?
C14 H14 0.9300 . ?
C1 H1 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 91.60(4) . . ?
N1 Pt1 Cl1 95.54(9) . . ?
N1 Pt1 Cl2 172.68(9) . . ?
N1 Pt1 N2 82.15(12) . . ?
N2 Pt1 Cl1 176.95(8) . . ?
N2 Pt1 Cl2 90.76(8) . . ?
O3 P C6 107.35(18) . . ?
O1 P O3 113.8(2) . . ?
O1 P O2 117.8(2) . . ?
O1 P C6 110.87(19) . . ?
O2 P O3 105.7(3) . . ?
O2 P C6 100.03(17) . . ?
C9 O3 P 122.1(5) . . ?
C7 O2 P 123.1(4) . . ?
C16 O4 C19 119.2(4) . . ?
C5 N1 Pt1 114.2(2) . . ?
C1 N1 Pt1 126.9(3) . . ?
C1 N1 C5 118.9(3) . . ?
Pt1 N2 H2 108.4 . . ?
C6 N2 Pt1 108.8(2) . . ?
C6 N2 H2 108.4 . . ?
C6 N2 C11 111.2(3) . . ?
C11 N2 Pt1 111.5(2) . . ?
C11 N2 H2 108.4 . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
C1 C2 C3 118.6(3) . . ?
C16 C15 H15 120.1 . . ?
C16 C15 C14 119.9(4) . . ?
C14 C15 H15 120.1 . . ?
P C6 H6 108.2 . . ?
N2 C6 P 113.7(2) . . ?
N2 C6 H6 108.2 . . ?
C5 C6 P 109.2(2) . . ?
C5 C6 N2 109.3(3) . . ?
C5 C6 H6 108.2 . . ?
O2 C7 H7A 109.2 . . ?
O2 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C8 C7 O2 112.1(7) . . ?
C8 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C9 H9A 108.9 . . ?
O3 C9 H9B 108.9 . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 O3 113.2(8) . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C3 C4 C5 118.2(3) . . ?
N1 C5 C6 116.5(3) . . ?
N1 C5 C4 121.4(3) . . ?
C4 C5 C6 122.1(3) . . ?
N2 C11 H11A 108.7 . . ?
N2 C11 H11B 108.7 . . ?
N2 C11 C12 114.2(3) . . ?
H11A C11 H11B 107.6 . . ?
C12 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C18 C13 C12 120.8(4) . . ?
C14 C13 C12 121.6(4) . . ?
C14 C13 C18 117.6(4) . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.5(4) . . ?
C18 C17 H17 120.3 . . ?
C2 C3 Cl3 119.3(3) . . ?
C2 C3 C4 120.5(3) . . ?
C4 C3 Cl3 120.1(3) . . ?
C11 C12 C13 113.2(3) . . ?
C11 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.8 . . ?
O4 C16 C15 115.6(4) . . ?
O4 C16 C17 124.6(4) . . ?
C17 C16 C15 119.7(4) . . ?
C13 C18 C17 121.8(4) . . ?
C13 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C15 C14 H14 119.2 . . ?
C13 C14 C15 121.5(4) . . ?
C13 C14 H14 119.2 . . ?
N1 C1 C2 122.3(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

####################################################################### 
# 
# 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_aaaa
_database_code_depnum_ccdc_archive 'CCDC 1542732'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C17 H22 Cl3 N2 O4 P Pt'
_chemical_formula_sum            'C17 H22 Cl3 N2 O4 P Pt'
_chemical_formula_weight         650.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z'
8 'x, -y-1/2, z-1/2'

_cell_length_a                   12.064(2)
_cell_length_b                   16.098(3)
_cell_length_c                   22.941(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4455.1(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    165
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      3.21
_exptl_absorpt_coefficient_mu    6.756
_exptl_absorpt_correction_T_max  0.6140
_exptl_absorpt_correction_T_min  0.3180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34945
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         2.29
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3143
_reflns_number_total             3973
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3973
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0249
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0158P)²+5.7725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0553
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.179989(14) 0.025964(11) 0.673755(9) 0.03187(7) Uani 1 1 d . . .
Cl1 Cl 0.71542(11) 0.03875(11) 0.66398(8) 0.0679(5) Uani 1 1 d . . .
Cl3 Cl -0.00533(10) -0.00303(9) 0.66864(8) 0.0571(4) Uani 1 1 d . . .
N1 N 0.3455(3) 0.0371(2) 0.67406(17) 0.0312(9) Uani 1 1 d . . .
P1 P 0.29456(13) -0.10444(11) 0.55805(7) 0.0527(4) Uani 1 1 d . . .
C6 C 0.3277(4) -0.1019(3) 0.6364(2) 0.0333(11) Uani 1 1 d . . .
H6 H 0.3653 -0.1539 0.6466 0.040 Uiso 1 1 calc R . .
O1 O 0.1944(4) -0.1538(3) 0.54904(19) 0.0817(15) Uani 1 1 d . . .
C11 C 0.2178(4) -0.1414(3) 0.7250(2) 0.0293(11) Uani 1 1 d . . .
O4 O 0.2085(3) -0.2578(2) 0.88548(16) 0.0530(10) Uani 1 1 d . . .
O3 O 0.2884(4) -0.0133(3) 0.53507(19) 0.0722(13) Uani 1 1 d . . .
O2 O 0.4067(4) -0.1382(3) 0.53516(18) 0.0750(13) Uani 1 1 d . . .
C14 C 0.2063(4) -0.2220(3) 0.8318(2) 0.0374(12) Uani 1 1 d . . .
C15 C 0.1169(4) -0.2259(3) 0.7934(2) 0.0340(11) Uani 1 1 d . . .
H15 H 0.0537 -0.2558 0.8032 0.041 Uiso 1 1 calc R . .
C16 C 0.1235(4) -0.1848(3) 0.7407(2) 0.0326(11) Uani 1 1 d . . .
H16 H 0.0635 -0.1864 0.7152 0.039 Uiso 1 1 calc R . .
C13 C 0.2999(4) -0.1779(3) 0.8160(2) 0.0426(13) Uani 1 1 d . . .
H13 H 0.3597 -0.1753 0.8415 0.051 Uiso 1 1 calc R . .
C3 C 0.5726(4) 0.0374(3) 0.6681(2) 0.0422(14) Uani 1 1 d . . .
C1 C 0.4036(4) 0.1032(3) 0.6926(2) 0.0408(13) Uani 1 1 d . . .
H1 H 0.3659 0.1491 0.7073 0.049 Uiso 1 1 calc R . .
C17 C 0.1124(5) -0.3015(4) 0.9042(3) 0.0559(16) Uani 1 1 d . . .
H17A H 0.0963 -0.3453 0.8771 0.084 Uiso 1 1 calc R . .
H17B H 0.0507 -0.2639 0.9059 0.084 Uiso 1 1 calc R . .
H17C H 0.1253 -0.3247 0.9421 0.084 Uiso 1 1 calc R . .
Cl2 Cl 0.15127(11) 0.16700(8) 0.67698(7) 0.0544(4) Uani 1 1 d . . .
C5 C 0.4006(4) -0.0308(3) 0.6540(2) 0.0310(11) Uani 1 1 d . . .
N2 N 0.2195(3) -0.0982(2) 0.66914(17) 0.0311(9) Uani 1 1 d . . .
H2 H 0.1675 -0.1227 0.6462 0.037 Uiso 1 1 calc R . .
C12 C 0.3059(4) -0.1379(3) 0.7630(2) 0.0386(12) Uani 1 1 d . . .
H12 H 0.3694 -0.1085 0.7529 0.046 Uiso 1 1 calc R . .
C4 C 0.5146(4) -0.0316(3) 0.6502(2) 0.0391(12) Uani 1 1 d . . .
H4 H 0.5516 -0.0779 0.6357 0.047 Uiso 1 1 calc R . .
C2 C 0.5181(4) 0.1046(3) 0.6904(2) 0.0461(14) Uani 1 1 d . . .
H2A H 0.5573 0.1505 0.7039 0.055 Uiso 1 1 calc R . .
C9 C 0.1816(8) 0.0214(7) 0.5158(5) 0.134(4) Uani 1 1 d DU . .
H9A H 0.1456 -0.0186 0.4905 0.161 Uiso 1 1 calc R . .
H9B H 0.1346 0.0293 0.5496 0.161 Uiso 1 1 calc R . .
C7 C 0.4290(8) -0.1415(7) 0.4733(4) 0.132(4) Uani 1 1 d DU . .
H7A H 0.3626 -0.1600 0.4534 0.158 Uiso 1 1 calc R . .
H7B H 0.4456 -0.0858 0.4597 0.158 Uiso 1 1 calc R . .
C8 C 0.5144(10) -0.1925(8) 0.4585(5) 0.209(7) Uani 1 1 d DU . .
H8C H 0.5810 -0.1739 0.4773 0.314 Uiso 1 1 calc R . .
H8A H 0.5246 -0.1913 0.4170 0.314 Uiso 1 1 calc R . .
H8B H 0.4979 -0.2482 0.4706 0.314 Uiso 1 1 calc R . .
C10 C 0.1905(13) 0.0970(9) 0.4861(8) 0.272(10) Uani 1 1 d DU . .
H10C H 0.2185 0.1387 0.5121 0.408 Uiso 1 1 calc R . .
H10B H 0.1187 0.1134 0.4721 0.408 Uiso 1 1 calc R . .
H10A H 0.2402 0.0907 0.4538 0.408 Uiso 1 1 calc R . .


_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 Cl3 2.2869(13) . ?
Pt1 N1 2.005(4) . ?
Pt1 Cl2 2.2978(14) . ?
Pt1 N2 2.057(4) . ?
Cl1 C3 1.725(5) . ?
N1 C1 1.343(6) . ?
N1 C5 1.359(6) . ?
P1 C6 1.841(5) . ?
P1 O1 1.461(4) . ?
P1 O3 1.561(5) . ?
P1 O2 1.549(4) . ?
C6 H6 0.9800 . ?
C6 C5 1.499(6) . ?
C6 N2 1.507(5) . ?
C11 C16 1.383(6) . ?
C11 N2 1.459(6) . ?
C11 C12 1.376(6) . ?
O4 C14 1.361(6) . ?
O4 C17 1.422(6) . ?
O3 C9 1.472(9) . ?
O2 C7 1.445(8) . ?
C14 C15 1.392(7) . ?
C14 C13 1.382(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.382(7) . ?
C16 H16 0.9300 . ?
C13 H13 0.9300 . ?
C13 C12 1.378(7) . ?
C3 C4 1.376(7) . ?
C3 C2 1.365(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.383(7) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C5 C4 1.378(7) . ?
N2 H2 0.9100 . ?
C12 H12 0.9300 . ?
C4 H4 0.9300 . ?
C2 H2A 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.397(12) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.361(10) . ?
C8 H8C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10A 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt1 N2 H2 106.9 . . ?
Cl3 Pt1 Cl2 93.20(5) . . ?
N1 Pt1 Cl3 172.80(12) . . ?
N1 Pt1 Cl2 93.54(11) . . ?
N1 Pt1 N2 81.72(15) . . ?
N1 C1 H1 119.2 . . ?
N1 C1 C2 121.5(5) . . ?
N1 C5 C6 114.8(4) . . ?
N1 C5 C4 121.1(5) . . ?
P1 C6 H6 108.4 . . ?
C6 N2 Pt1 105.4(3) . . ?
C6 N2 H2 106.9 . . ?
O1 P1 C6 109.3(2) . . ?
O1 P1 O3 115.1(3) . . ?
O1 P1 O2 118.9(3) . . ?
C11 C16 C15 121.1(4) . . ?
C11 C16 H16 119.5 . . ?
C11 N2 Pt1 114.5(3) . . ?
C11 N2 C6 115.6(3) . . ?
C11 N2 H2 106.9 . . ?
C11 C12 C13 119.9(4) . . ?
C11 C12 H12 120.0 . . ?
O4 C14 C15 124.6(5) . . ?
O4 C14 C13 116.0(5) . . ?
O4 C17 H17A 109.5 . . ?
O4 C17 H17B 109.5 . . ?
O4 C17 H17C 109.5 . . ?
O3 P1 C6 108.6(2) . . ?
O3 C9 H9A 108.7 . . ?
O3 C9 H9B 108.7 . . ?
O2 P1 C6 98.6(2) . . ?
O2 P1 O3 104.9(3) . . ?
O2 C7 H7A 108.7 . . ?
O2 C7 H7B 108.7 . . ?
C14 O4 C17 117.8(4) . . ?
C14 C15 H15 120.4 . . ?
C14 C13 H13 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C11 N2 118.8(4) . . ?
C16 C15 C14 119.2(4) . . ?
C16 C15 H15 120.4 . . ?
C13 C14 C15 119.4(5) . . ?
C13 C12 H12 120.0 . . ?
C3 C4 C5 118.8(5) . . ?
C3 C4 H4 120.6 . . ?
C3 C2 C1 118.8(5) . . ?
C3 C2 H2A 120.6 . . ?
C1 N1 Pt1 126.3(3) . . ?
C1 N1 C5 119.3(4) . . ?
C1 C2 H2A 120.6 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C5 N1 Pt1 114.4(3) . . ?
C5 C6 P1 114.0(3) . . ?
C5 C6 H6 108.4 . . ?
C5 C6 N2 110.0(4) . . ?
C5 C4 H4 120.6 . . ?
N2 Pt1 Cl3 91.48(11) . . ?
N2 Pt1 Cl2 175.12(10) . . ?
N2 C6 P1 107.5(3) . . ?
N2 C6 H6 108.4 . . ?
C12 C11 C16 119.5(5) . . ?
C12 C11 N2 121.7(4) . . ?
C12 C13 C14 121.0(5) . . ?
C12 C13 H13 119.5 . . ?
C4 C3 Cl1 120.1(4) . . ?
C4 C5 C6 124.1(4) . . ?
C2 C3 Cl1 119.4(4) . . ?
C2 C3 C4 120.5(5) . . ?
C2 C1 H1 119.2 . . ?
C9 O3 P1 120.0(5) . . ?
C9 C10 H10C 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10A 109.5 . . ?
H9A C9 H9B 107.6 . . ?
C7 O2 P1 120.6(5) . . ?
C7 C8 H8C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 O2 114.1(8) . . ?
C8 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H8C C8 H8A 109.5 . . ?
H8C C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C10 C9 O3 114.2(10) . . ?
C10 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H10C C10 H10B 109.5 . . ?
H10C C10 H10A 109.5 . . ?
H10B C10 H10A 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -179.4(4) . . . . ?
Pt1 N1 C5 C6 -1.1(5) . . . . ?
Pt1 N1 C5 C4 178.3(4) . . . . ?
Cl1 C3 C4 C5 -180.0(4) . . . . ?
Cl1 C3 C2 C1 179.0(4) . . . . ?
Cl3 Pt1 N1 C1 -179(100) . . . . ?
Cl3 Pt1 N1 C5 -0.5(12) . . . . ?
Cl3 Pt1 N2 C6 146.7(3) . . . . ?
Cl3 Pt1 N2 C11 -85.1(3) . . . . ?
N1 Pt1 N2 C6 -30.9(3) . . . . ?
N1 Pt1 N2 C11 97.3(3) . . . . ?
N1 C1 C2 C3 0.8(8) . . . . ?
N1 C5 C4 C3 1.1(8) . . . . ?
P1 C6 C5 N1 95.0(4) . . . . ?
P1 C6 C5 C4 -84.4(5) . . . . ?
P1 C6 N2 Pt1 -86.4(3) . . . . ?
P1 C6 N2 C11 146.1(3) . . . . ?
P1 O3 C9 C10 -168.4(11) . . . . ?
P1 O2 C7 C8 -162.5(10) . . . . ?
C6 P1 O3 C9 -112.6(6) . . . . ?
C6 P1 O2 C7 -171.7(7) . . . . ?
C6 C5 C4 C3 -179.5(5) . . . . ?
O1 P1 C6 C5 -158.9(4) . . . . ?
O1 P1 C6 N2 -36.6(4) . . . . ?
O1 P1 O3 C9 10.2(7) . . . . ?
O1 P1 O2 C7 70.6(7) . . . . ?
O4 C14 C15 C16 178.1(5) . . . . ?
O4 C14 C13 C12 -178.8(5) . . . . ?
O3 P1 C6 C5 -32.6(4) . . . . ?
O3 P1 C6 N2 89.6(3) . . . . ?
O3 P1 O2 C7 -59.8(7) . . . . ?
O2 P1 C6 C5 76.3(4) . . . . ?
O2 P1 C6 N2 -161.4(3) . . . . ?
O2 P1 O3 C9 142.8(6) . . . . ?
C14 C15 C16 C11 1.2(7) . . . . ?
C14 C13 C12 C11 0.0(8) . . . . ?
C15 C14 C13 C12 0.1(8) . . . . ?
C16 C11 N2 Pt1 96.3(4) . . . . ?
C16 C11 N2 C6 -140.9(4) . . . . ?
C16 C11 C12 C13 0.4(8) . . . . ?
C13 C14 C15 C16 -0.7(7) . . . . ?
C1 N1 C5 C6 178.0(4) . . . . ?
C1 N1 C5 C4 -2.6(7) . . . . ?
C17 O4 C14 C15 -0.9(7) . . . . ?
C17 O4 C14 C13 178.0(5) . . . . ?
Cl2 Pt1 N1 C1 21.1(4) . . . . ?
Cl2 Pt1 N1 C5 -159.9(3) . . . . ?
Cl2 Pt1 N2 C6 -17.3(16) . . . . ?
Cl2 Pt1 N2 C11 110.9(13) . . . . ?
C5 N1 C1 C2 1.6(7) . . . . ?
C5 C6 N2 Pt1 38.3(4) . . . . ?
C5 C6 N2 C11 -89.2(5) . . . . ?
N2 Pt1 N1 C1 -160.0(4) . . . . ?
N2 Pt1 N1 C5 18.9(3) . . . . ?
N2 C6 C5 N1 -25.8(6) . . . . ?
N2 C6 C5 C4 154.8(5) . . . . ?
N2 C11 C16 C15 -179.1(4) . . . . ?
N2 C11 C12 C13 178.5(4) . . . . ?
C12 C11 C16 C15 -1.0(7) . . . . ?
C12 C11 N2 Pt1 -81.7(5) . . . . ?
C12 C11 N2 C6 41.1(6) . . . . ?
C4 C3 C2 C1 -2.4(8) . . . . ?
C2 C3 C4 C5 1.4(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_aaaa_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1542736'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H19 Cl4 N2 O3 P Pt'
_chemical_formula_weight         655.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   8.1410(12)
_cell_length_b                   17.253(3)
_cell_length_c                   16.187(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.267(2)
_cell_angle_gamma                90.00
_cell_volume                     2203.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    156
_cell_measurement_theta_min      3
_cell_measurement_theta_max      21.02

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1256
_exptl_absorpt_coefficient_mu    6.944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2221
_exptl_absorpt_correction_T_max  0.5435
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex Duo'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26711
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         26.37
_reflns_number_total             4497
_reflns_number_gt                3485
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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     
'calc w=1/[σ²(Fo²)+(0.0196P)²+2.2987P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4497
_refine_ls_number_parameters     250
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0549
_refine_ls_wR_factor_gt          0.0495
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.49502(2) 0.725614(8) 0.751300(9) 0.03321(6) Uani 1 1 d . . .
P2 P 0.81775(14) 0.77323(7) 0.95460(7) 0.0434(3) Uani 1 1 d . . .
Cl4 Cl 0.41552(17) 0.78593(6) 0.62100(7) 0.0534(3) Uani 1 1 d . . .
Cl5 Cl 0.26617(17) 0.99055(7) 0.98383(9) 0.0605(3) Uani 1 1 d . . .
Cl6 Cl 0.57576(18) 0.61664(7) 0.69162(7) 0.0596(3) Uani 1 1 d . . .
Cl7 Cl 0.1131(2) 0.42480(8) 0.93030(12) 0.0936(5) Uani 1 1 d . . .
N1 N 0.4269(4) 0.81478(17) 0.81658(18) 0.0315(7) Uani 1 1 d . . .
O2 O 0.8196(4) 0.85601(17) 0.9155(2) 0.0530(8) Uani 1 1 d . . .
C3 C 0.4543(5) 0.6161(2) 0.8865(2) 0.0337(9) Uani 1 1 d . . .
O4 O 0.9181(4) 0.71483(18) 0.9239(2) 0.0631(9) Uani 1 1 d . . .
C3AA C 0.4756(5) 0.8079(2) 0.9022(2) 0.0313(8) Uani 1 1 d . . .
N6 N 0.5672(4) 0.67679(18) 0.87092(19) 0.0339(7) Uani 1 1 d . . .
C2AA C 0.3013(5) 0.6337(2) 0.9043(3) 0.0426(10) Uani 1 1 d . . .
H2A H 0.2700 0.6852 0.9075 0.051 Uiso 1 1 calc R . .
C8 C 0.3314(5) 0.8760(2) 0.7823(3) 0.0403(9) Uani 1 1 d . . .
H8 H 0.2973 0.8806 0.7233 0.048 Uiso 1 1 calc R . .
C9 C 0.3297(5) 0.9228(2) 0.9195(3) 0.0388(9) Uani 1 1 d . . .
C10 C 0.4269(5) 0.8606(2) 0.9554(3) 0.0377(9) Uani 1 1 d . . .
H10 H 0.4588 0.8542 1.0143 0.045 Uiso 1 1 calc R . .
C11 C 0.5939(5) 0.7422(2) 0.9350(2) 0.0333(8) Uani 1 1 d . . .
H11 H 0.5725 0.7231 0.9884 0.040 Uiso 1 1 calc R . .
O12 O 0.8520(4) 0.7891(2) 1.0518(2) 0.0632(9) Uani 1 1 d . . .
C13 C 0.5017(6) 0.5397(2) 0.8820(3) 0.0444(11) Uani 1 1 d . . .
H13 H 0.6047 0.5276 0.8700 0.053 Uiso 1 1 calc R . .
C14 C 0.3956(7) 0.4813(2) 0.8954(3) 0.0543(13) Uani 1 1 d . . .
H14 H 0.4271 0.4297 0.8931 0.065 Uiso 1 1 calc R . .
C15 C 0.2831(5) 0.9317(2) 0.8320(3) 0.0437(10) Uani 1 1 d . . .
H15 H 0.2204 0.9746 0.8073 0.052 Uiso 1 1 calc R . .
C16 C 0.8554(7) 0.8709(3) 0.8334(3) 0.0696(15) Uani 1 1 d . . .
H16A H 0.7777 0.8419 0.7892 0.084 Uiso 1 1 calc R . .
H16B H 0.9701 0.8548 0.8345 0.084 Uiso 1 1 calc R . .
C1AA C 0.2443(7) 0.4996(3) 0.9122(3) 0.0515(12) Uani 1 1 d . . .
C0AA C 0.1944(6) 0.5755(3) 0.9174(3) 0.0504(11) Uani 1 1 d . . .
H0A H 0.0911 0.5871 0.9294 0.060 Uiso 1 1 calc R . .
C5AA C 0.8355(8) 0.9553(4) 0.8157(4) 0.0842(18) Uani 1 1 d . . .
H5AA H 0.8632 0.9665 0.7626 0.126 Uiso 1 1 calc R . .
H5AC H 0.9101 0.9836 0.8607 0.126 Uiso 1 1 calc R . .
H5AB H 0.7204 0.9702 0.8122 0.126 Uiso 1 1 calc R . .
C4AA C 1.0076(8) 0.8201(4) 1.1023(4) 0.103(2) Uani 1 1 d . . .
H4AA H 1.1019 0.7936 1.0878 0.124 Uiso 1 1 calc R . .
H4AB H 1.0148 0.8746 1.0888 0.124 Uiso 1 1 calc R . .
C6AA C 1.0217(8) 0.8121(6) 1.1916(4) 0.126(3) Uani 1 1 d . . .
H6AA H 1.0201 0.7581 1.2058 0.189 Uiso 1 1 calc R . .
H6AB H 0.9282 0.8379 1.2062 0.189 Uiso 1 1 calc R . .
H6AC H 1.1261 0.8349 1.2229 0.189 Uiso 1 1 calc R . .
H6 H 0.671(6) 0.658(2) 0.871(3) 0.047(13) 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
Pt1 N1 2.020(3) . ?
Pt1 N6 2.060(3) . ?
Pt1 Cl6 2.2833(11) . ?
Pt1 Cl4 2.2972(11) . ?
P2 O4 1.459(3) . ?
P2 O12 1.553(3) . ?
P2 O2 1.564(3) . ?
P2 C11 1.850(4) . ?
Cl5 C9 1.727(4) . ?
Cl7 C1AA 1.746(5) . ?
N1 C8 1.347(5) . ?
N1 C3AA 1.349(4) . ?
O2 C16 1.452(5) . ?
C3 C2AA 1.380(6) . ?
C3 C13 1.380(5) . ?
C3 N6 1.456(5) . ?
C3AA C10 1.377(5) . ?
C3AA C11 1.499(5) . ?
N6 C11 1.512(5) . ?
N6 H6 0.91(4) . ?
C2AA C0AA 1.378(6) . ?
C2AA H2A 0.9300 . ?
C8 C15 1.372(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(5) . ?
C9 C15 1.382(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9800 . ?
O12 C4AA 1.431(7) . ?
C13 C14 1.378(6) . ?
C13 H13 0.9300 . ?
C14 C1AA 1.362(7) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C5AA 1.485(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C1AA C0AA 1.379(6) . ?
C0AA H0A 0.9300 . ?
C5AA H5AA 0.9600 . ?
C5AA H5AC 0.9600 . ?
C5AA H5AB 0.9600 . ?
C4AA C6AA 1.429(9) . ?
C4AA H4AA 0.9700 . ?
C4AA H4AB 0.9700 . ?
C6AA H6AA 0.9600 . ?
C6AA H6AB 0.9600 . ?
C6AA H6AC 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 N6 82.60(12) . . ?
N1 Pt1 Cl6 173.38(9) . . ?
N6 Pt1 Cl6 90.90(9) . . ?
N1 Pt1 Cl4 94.80(9) . . ?
N6 Pt1 Cl4 177.20(9) . . ?
Cl6 Pt1 Cl4 91.71(4) . . ?
O4 P2 O12 119.4(2) . . ?
O4 P2 O2 115.5(2) . . ?
O12 P2 O2 103.41(18) . . ?
O4 P2 C11 110.61(19) . . ?
O12 P2 C11 98.51(18) . . ?
O2 P2 C11 107.61(18) . . ?
C8 N1 C3AA 119.1(3) . . ?
C8 N1 Pt1 125.9(3) . . ?
C3AA N1 Pt1 114.9(2) . . ?
C16 O2 P2 123.8(3) . . ?
C2AA C3 C13 120.0(4) . . ?
C2AA C3 N6 121.2(3) . . ?
C13 C3 N6 118.8(4) . . ?
N1 C3AA C10 121.9(4) . . ?
N1 C3AA C11 115.6(3) . . ?
C10 C3AA C11 122.4(3) . . ?
C3 N6 C11 114.1(3) . . ?
C3 N6 Pt1 114.3(2) . . ?
C11 N6 Pt1 107.4(2) . . ?
C3 N6 H6 112(3) . . ?
C11 N6 H6 107(3) . . ?
Pt1 N6 H6 101(3) . . ?
C0AA C2AA C3 120.6(4) . . ?
C0AA C2AA H2A 119.7 . . ?
C3 C2AA H2A 119.7 . . ?
N1 C8 C15 121.8(4) . . ?
N1 C8 H8 119.1 . . ?
C15 C8 H8 119.1 . . ?
C10 C9 C15 120.3(4) . . ?
C10 C9 Cl5 120.0(3) . . ?
C15 C9 Cl5 119.7(3) . . ?
C9 C10 C3AA 118.3(4) . . ?
C9 C10 H10 120.8 . . ?
C3AA C10 H10 120.8 . . ?
C3AA C11 N6 110.5(3) . . ?
C3AA C11 P2 111.2(3) . . ?
N6 C11 P2 107.6(3) . . ?
C3AA C11 H11 109.2 . . ?
N6 C11 H11 109.2 . . ?
P2 C11 H11 109.2 . . ?
C4AA O12 P2 123.9(4) . . ?
C14 C13 C3 119.7(4) . . ?
C14 C13 H13 120.2 . . ?
C3 C13 H13 120.2 . . ?
C1AA C14 C13 119.7(4) . . ?
C1AA C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C8 C15 C9 118.5(4) . . ?
C8 C15 H15 120.8 . . ?
C9 C15 H15 120.8 . . ?
O2 C16 C5AA 108.3(4) . . ?
O2 C16 H16A 110.0 . . ?
C5AA C16 H16A 110.0 . . ?
O2 C16 H16B 110.0 . . ?
C5AA C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
C14 C1AA C0AA 121.7(4) . . ?
C14 C1AA Cl7 118.9(4) . . ?
C0AA C1AA Cl7 119.4(4) . . ?
C2AA C0AA C1AA 118.4(4) . . ?
C2AA C0AA H0A 120.8 . . ?
C1AA C0AA H0A 120.8 . . ?
C16 C5AA H5AA 109.5 . . ?
C16 C5AA H5AC 109.5 . . ?
H5AA C5AA H5AC 109.5 . . ?
C16 C5AA H5AB 109.5 . . ?
H5AA C5AA H5AB 109.5 . . ?
H5AC C5AA H5AB 109.5 . . ?
C6AA C4AA O12 112.4(6) . . ?
C6AA C4AA H4AA 109.1 . . ?
O12 C4AA H4AA 109.1 . . ?
C6AA C4AA H4AB 109.1 . . ?
O12 C4AA H4AB 109.1 . . ?
H4AA C4AA H4AB 107.9 . . ?
C4AA C6AA H6AA 109.5 . . ?
C4AA C6AA H6AB 109.5 . . ?
H6AA C6AA H6AB 109.5 . . ?
C4AA C6AA H6AC 109.5 . . ?
H6AA C6AA H6AC 109.5 . . ?
H6AB C6AA H6AC 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
N6 Pt1 N1 C8 -167.9(3) . . . . ?
Cl6 Pt1 N1 C8 -156.5(7) . . . . ?
Cl4 Pt1 N1 C8 13.2(3) . . . . ?
N6 Pt1 N1 C3AA 8.1(3) . . . . ?
Cl6 Pt1 N1 C3AA 19.5(10) . . . . ?
Cl4 Pt1 N1 C3AA -170.9(2) . . . . ?
O4 P2 O2 C16 24.1(4) . . . . ?
O12 P2 O2 C16 156.4(4) . . . . ?
C11 P2 O2 C16 -100.0(4) . . . . ?
C8 N1 C3AA C10 1.8(5) . . . . ?
Pt1 N1 C3AA C10 -174.5(3) . . . . ?
C8 N1 C3AA C11 -174.8(3) . . . . ?
Pt1 N1 C3AA C11 8.9(4) . . . . ?
C2AA C3 N6 C11 46.8(5) . . . . ?
C13 C3 N6 C11 -134.1(4) . . . . ?
C2AA C3 N6 Pt1 -77.4(4) . . . . ?
C13 C3 N6 Pt1 101.7(4) . . . . ?
N1 Pt1 N6 C3 105.7(3) . . . . ?
Cl6 Pt1 N6 C3 -73.0(2) . . . . ?
Cl4 Pt1 N6 C3 128(2) . . . . ?
N1 Pt1 N6 C11 -22.0(2) . . . . ?
Cl6 Pt1 N6 C11 159.3(2) . . . . ?
Cl4 Pt1 N6 C11 0(2) . . . . ?
C13 C3 C2AA C0AA -0.3(6) . . . . ?
N6 C3 C2AA C0AA 178.8(4) . . . . ?
C3AA N1 C8 C15 0.3(6) . . . . ?
Pt1 N1 C8 C15 176.1(3) . . . . ?
C15 C9 C10 C3AA -0.1(6) . . . . ?
Cl5 C9 C10 C3AA -179.7(3) . . . . ?
N1 C3AA C10 C9 -1.9(6) . . . . ?
C11 C3AA C10 C9 174.5(4) . . . . ?
N1 C3AA C11 N6 -27.9(4) . . . . ?
C10 C3AA C11 N6 155.5(3) . . . . ?
N1 C3AA C11 P2 91.5(3) . . . . ?
C10 C3AA C11 P2 -85.0(4) . . . . ?
C3 N6 C11 C3AA -95.7(4) . . . . ?
Pt1 N6 C11 C3AA 32.0(3) . . . . ?
C3 N6 C11 P2 142.7(3) . . . . ?
Pt1 N6 C11 P2 -89.5(2) . . . . ?
O4 P2 C11 C3AA -137.1(3) . . . . ?
O12 P2 C11 C3AA 97.0(3) . . . . ?
O2 P2 C11 C3AA -10.1(3) . . . . ?
O4 P2 C11 N6 -16.0(3) . . . . ?
O12 P2 C11 N6 -141.9(3) . . . . ?
O2 P2 C11 N6 111.0(3) . . . . ?
O4 P2 O12 C4AA 64.5(5) . . . . ?
O2 P2 O12 C4AA -65.5(5) . . . . ?
C11 P2 O12 C4AA -176.0(5) . . . . ?
C2AA C3 C13 C14 0.0(6) . . . . ?
N6 C3 C13 C14 -179.2(4) . . . . ?
C3 C13 C14 C1AA 0.6(7) . . . . ?
N1 C8 C15 C9 -2.2(6) . . . . ?
C10 C9 C15 C8 2.0(6) . . . . ?
Cl5 C9 C15 C8 -178.3(3) . . . . ?
P2 O2 C16 C5AA 176.6(4) . . . . ?
C13 C14 C1AA C0AA -0.9(7) . . . . ?
C13 C14 C1AA Cl7 -179.2(4) . . . . ?
C3 C2AA C0AA C1AA 0.0(6) . . . . ?
C14 C1AA C0AA C2AA 0.6(7) . . . . ?
Cl7 C1AA C0AA C2AA 178.9(4) . . . . ?
P2 O12 C4AA C6AA -166.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.091
####################################################################### 
# 
# 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_03
_database_code_depnum_ccdc_archive 'CCDC 1542729'
_audit_update_record             
;
2017-04-06 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
_audit_creation_date             2012-11-14
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C17 H23 Cl2 N2 O4 P Pt'
_chemical_formula_sum            'C17 H23 Cl2 N2 O4 P Pt'
_chemical_formula_weight         616.33
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z'
8 'x, -y-1/2, z-1/2'

_cell_length_a                   10.0411(5)
_cell_length_b                   14.3523(8)
_cell_length_c                   29.091(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4192.4(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    14648
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6660
_cell_measurement_theta_min      2.9177
_exptl_absorpt_coefficient_mu    7.050
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.2411
_diffrn_reflns_av_unetI/netI     0.0946
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            48148
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.92
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9784
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -101.00  -36.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2889  178.0000  -30.0000 65

#__ type_ start__ end____ width___ exp.time_
  2 omega  -15.00   21.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2889  -99.0000  120.0000 36

#__ type_ start__ end____ width___ exp.time_
  3 omega    0.00   26.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000  -30.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega   65.00   90.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega    5.00   31.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
  6 omega  -49.00   44.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170  -57.0000   90.0000 93

#__ type_ start__ end____ width___ exp.time_
  7 omega  -34.00   50.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170  -77.0000  -30.0000 84

#__ type_ start__ end____ width___ exp.time_
  8 omega  -50.00   55.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170  -77.0000 -150.0000 105

#__ type_ start__ end____ width___ exp.time_
  9 omega   -2.00   92.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000    0.0000 94

#__ type_ start__ end____ width___ exp.time_
 10 omega   -2.00   49.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000 -150.0000 51

#__ type_ start__ end____ width___ exp.time_
 11 omega   -2.00   92.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6170   57.0000  120.0000 94
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0398233000
_diffrn_orient_matrix_UB_12      0.0182304000
_diffrn_orient_matrix_UB_13      -0.0180081000
_diffrn_orient_matrix_UB_21      0.0112417000
_diffrn_orient_matrix_UB_22      -0.0409999000
_diffrn_orient_matrix_UB_23      -0.0130353000
_diffrn_orient_matrix_UB_31      -0.0572834000
_diffrn_orient_matrix_UB_32      -0.0206983000
_diffrn_orient_matrix_UB_33      0.0099999000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3342
_reflns_number_total             4280
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         3.100
_refine_diff_density_min         -3.809
_refine_diff_density_rms         0.275
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         4280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0787
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1149P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.1969
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.40704(3) 0.07763(2) 0.366825(12) 0.0345(2) Uani 1 1 d . . .
Cl1 Cl 0.5230(3) -0.00829(15) 0.31354(9) 0.0620(7) Uani 1 1 d . . .
Cl2 Cl 0.4237(2) -0.04162(17) 0.41901(10) 0.0540(7) Uani 1 1 d . . .
P P 0.0580(3) 0.14987(18) 0.37670(9) 0.0451(6) Uani 1 1 d . . .
O1 O 0.7085(6) 0.3831(4) 0.4945(2) 0.0479(15) Uani 1 1 d . . .
O2 O 0.0302(9) 0.0948(5) 0.4170(3) 0.064(2) Uani 1 1 d . . .
O3 O 0.0724(8) 0.1007(7) 0.3294(4) 0.081(3) Uani 1 1 d . . .
O4 O -0.0437(9) 0.2265(6) 0.3640(3) 0.070(2) Uani 1 1 d . . .
N1 N 0.3699(8) 0.1839(5) 0.3232(3) 0.0423(17) Uani 1 1 d . . .
N2 N 0.3101(6) 0.1665(4) 0.4118(2) 0.0308(14) Uani 1 1 d . . .
H2 H 0.2662 0.1317 0.4332 0.037 Uiso 1 1 calc R . .
C1 C 0.7295(11) 0.4780(6) 0.4795(4) 0.061(3) Uani 1 1 d . . .
H1A H 0.7378 0.4795 0.4467 0.091 Uiso 1 1 calc R . .
H1B H 0.8095 0.5019 0.4932 0.091 Uiso 1 1 calc R . .
H1C H 0.6552 0.5157 0.4888 0.091 Uiso 1 1 calc R . .
C2 C 0.6030(7) 0.3366(6) 0.4757(3) 0.0352(19) Uani 1 1 d . . .
C3 C 0.5121(9) 0.3763(5) 0.4471(3) 0.0388(19) Uani 1 1 d . . .
H3 H 0.5158 0.4400 0.4412 0.047 Uiso 1 1 calc R . .
C4 C 0.4135(7) 0.3222(6) 0.4267(3) 0.036(2) Uani 1 1 d . . .
H4 H 0.3519 0.3497 0.4071 0.044 Uiso 1 1 calc R . .
C5 C 0.4068(7) 0.2268(5) 0.4356(3) 0.0285(18) Uani 1 1 d . . .
C6 C 0.4960(9) 0.1875(6) 0.4656(3) 0.043(2) Uani 1 1 d . . .
H6 H 0.4899 0.1246 0.4728 0.051 Uiso 1 1 calc R . .
C7 C 0.5948(9) 0.2415(6) 0.4850(4) 0.050(3) Uani 1 1 d . . .
H7 H 0.6568 0.2140 0.5045 0.060 Uiso 1 1 calc R . .
C8 C 0.2105(9) 0.2171(5) 0.3835(3) 0.0367(19) Uani 1 1 d . . .
H8 H 0.1882 0.2753 0.3993 0.044 Uiso 1 1 calc R . .
C9 C 0.2731(8) 0.2416(5) 0.3381(3) 0.0384(19) Uani 1 1 d . . .
C10 C 0.2290(10) 0.3163(6) 0.3117(3) 0.055(2) Uani 1 1 d . . .
H10 H 0.1621 0.3560 0.3220 0.066 Uiso 1 1 calc R . .
C11 C 0.2901(12) 0.3287(7) 0.2689(4) 0.066(3) Uani 1 1 d . . .
H11 H 0.2609 0.3758 0.2494 0.079 Uiso 1 1 calc R . .
C12 C 0.3909(12) 0.2728(8) 0.2558(4) 0.064(3) Uani 1 1 d . . .
H12 H 0.4346 0.2838 0.2282 0.077 Uiso 1 1 calc R . .
C13 C 0.4290(10) 0.2002(7) 0.2830(4) 0.054(3) Uani 1 1 d . . .
H13 H 0.4976 0.1613 0.2733 0.065 Uiso 1 1 calc R . .
C14 C 0.052(2) 0.0122(11) 0.3186(5) 0.113(6) Uani 1 1 d . . .
H14A H 0.1025 -0.0258 0.3399 0.136 Uiso 1 1 calc R . .
H14B H 0.0882 0.0017 0.2882 0.136 Uiso 1 1 calc R . .
C15 C -0.0817(16) -0.0215(14) 0.3186(7) 0.138(8) Uani 1 1 d . . .
H15A H -0.1390 0.0239 0.3047 0.207 Uiso 1 1 calc R . .
H15B H -0.1099 -0.0324 0.3497 0.207 Uiso 1 1 calc R . .
H15C H -0.0861 -0.0787 0.3016 0.207 Uiso 1 1 calc R . .
C16 C -0.1573(14) 0.2568(8) 0.3887(5) 0.082(4) Uani 1 1 d . . .
H16A H -0.1561 0.3242 0.3914 0.098 Uiso 1 1 calc R . .
H16B H -0.1560 0.2306 0.4194 0.098 Uiso 1 1 calc R . .
C17 C -0.2776(17) 0.2275(14) 0.3649(5) 0.106(6) Uani 1 1 d . . .
H17A H -0.2770 0.2518 0.3342 0.160 Uiso 1 1 calc R . .
H17B H -0.3542 0.2507 0.3810 0.160 Uiso 1 1 calc R . .
H17C H -0.2809 0.1607 0.3639 0.160 Uiso 1 1 calc R . .


_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 Cl1 2.298(2) . ?
Pt1 Cl2 2.294(3) . ?
Pt1 N1 2.018(7) . ?
Pt1 N2 2.071(6) . ?
P O2 1.442(8) . ?
P O3 1.553(9) . ?
P O4 1.546(9) . ?
P C8 1.821(9) . ?
O1 C1 1.445(10) . ?
O1 C2 1.366(9) . ?
O3 C14 1.326(16) . ?
O4 C16 1.418(16) . ?
N1 C9 1.348(11) . ?
N1 C13 1.333(13) . ?
N2 H2 0.9100 . ?
N2 C5 1.473(9) . ?
N2 C8 1.485(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.361(11) . ?
C2 C7 1.393(12) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.395(12) . ?
C5 C6 1.372(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.379(12) . ?
C7 H7 0.9300 . ?
C8 H8 0.9800 . ?
C8 C9 1.505(13) . ?
C9 C10 1.390(12) . ?
C10 H10 0.9300 . ?
C10 C11 1.399(15) . ?
C11 H11 0.9300 . ?
C11 C12 1.347(15) . ?
C12 H12 0.9300 . ?
C12 C13 1.362(15) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.42(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.45(2) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 90.53(9) . . ?
N1 Pt1 Cl1 94.3(2) . . ?
N1 Pt1 Cl2 173.3(2) . . ?
N1 Pt1 N2 81.1(3) . . ?
N2 Pt1 Cl1 174.46(17) . . ?
N2 Pt1 Cl2 94.31(18) . . ?
O2 P O3 119.3(6) . . ?
O2 P O4 117.2(5) . . ?
O2 P C8 111.4(5) . . ?
O3 P C8 105.0(4) . . ?
O4 P O3 99.9(6) . . ?
O4 P C8 101.8(5) . . ?
C2 O1 C1 117.0(6) . . ?
C14 O3 P 129.1(11) . . ?
C16 O4 P 128.9(8) . . ?
C9 N1 Pt1 113.4(6) . . ?
C13 N1 Pt1 127.0(7) . . ?
C13 N1 C9 119.6(8) . . ?
Pt1 N2 H2 108.7 . . ?
C5 N2 Pt1 110.4(5) . . ?
C5 N2 H2 108.7 . . ?
C5 N2 C8 114.6(5) . . ?
C8 N2 Pt1 105.5(5) . . ?
C8 N2 H2 108.7 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C7 116.6(7) . . ?
C3 C2 O1 124.0(7) . . ?
C3 C2 C7 119.3(7) . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.3(7) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(7) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 N2 121.5(6) . . ?
C6 C5 N2 119.2(7) . . ?
C6 C5 C4 119.3(7) . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0(8) . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 119.6 . . ?
C6 C7 C2 120.9(8) . . ?
C6 C7 H7 119.6 . . ?
P C8 H8 108.0 . . ?
N2 C8 P 111.5(5) . . ?
N2 C8 H8 108.0 . . ?
N2 C8 C9 108.7(7) . . ?
C9 C8 P 112.3(6) . . ?
C9 C8 H8 108.0 . . ?
N1 C9 C8 116.0(7) . . ?
N1 C9 C10 121.8(9) . . ?
C10 C9 C8 122.1(8) . . ?
C9 C10 H10 121.7 . . ?
C9 C10 C11 116.7(9) . . ?
C11 C10 H10 121.7 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(9) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(11) . . ?
C13 C12 H12 119.9 . . ?
N1 C13 C12 121.2(10) . . ?
N1 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
O3 C14 H14A 107.7 . . ?
O3 C14 H14B 107.7 . . ?
O3 C14 C15 118.2(15) . . ?
H14A C14 H14B 107.1 . . ?
C15 C14 H14A 107.7 . . ?
C15 C14 H14B 107.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 H16A 109.7 . . ?
O4 C16 H16B 109.7 . . ?
O4 C16 C17 109.8(12) . . ?
H16A C16 H16B 108.2 . . ?
C17 C16 H16A 109.7 . . ?
C17 C16 H16B 109.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C9 C8 -0.3(9) . . . . ?
Pt1 N1 C9 C10 -176.9(7) . . . . ?
Pt1 N1 C13 C12 177.4(8) . . . . ?
Pt1 N2 C5 C4 110.7(7) . . . . ?
Pt1 N2 C5 C6 -66.4(8) . . . . ?
Pt1 N2 C8 P 83.8(6) . . . . ?
Pt1 N2 C8 C9 -40.6(6) . . . . ?
Cl1 Pt1 N1 C9 164.3(6) . . . . ?
Cl1 Pt1 N1 C13 -15.0(9) . . . . ?
Cl1 Pt1 N2 C5 -57(2) . . . . ?
Cl1 Pt1 N2 C8 67(2) . . . . ?
Cl2 Pt1 N1 C9 29(2) . . . . ?
Cl2 Pt1 N1 C13 -150.8(16) . . . . ?
Cl2 Pt1 N2 C5 93.3(5) . . . . ?
Cl2 Pt1 N2 C8 -142.4(4) . . . . ?
P O3 C14 C15 70(2) . . . . ?
P O4 C16 C17 -109.5(15) . . . . ?
P C8 C9 N1 -95.5(8) . . . . ?
P C8 C9 C10 81.1(9) . . . . ?
O1 C2 C3 C4 175.0(8) . . . . ?
O1 C2 C7 C6 -176.5(9) . . . . ?
O2 P O3 C14 6.5(16) . . . . ?
O2 P O4 C16 6.0(13) . . . . ?
O2 P C8 N2 33.3(7) . . . . ?
O2 P C8 C9 155.7(6) . . . . ?
O3 P O4 C16 136.5(11) . . . . ?
O3 P C8 N2 -97.2(7) . . . . ?
O3 P C8 C9 25.2(8) . . . . ?
O4 P O3 C14 -122.7(15) . . . . ?
O4 P C8 N2 159.1(6) . . . . ?
O4 P C8 C9 -78.6(6) . . . . ?
N1 Pt1 N2 C5 -91.6(5) . . . . ?
N1 Pt1 N2 C8 32.7(5) . . . . ?
N1 C9 C10 C11 0.0(14) . . . . ?
N2 Pt1 N1 C9 -18.8(6) . . . . ?
N2 Pt1 N1 C13 161.8(9) . . . . ?
N2 C5 C6 C7 174.2(8) . . . . ?
N2 C8 C9 N1 28.4(9) . . . . ?
N2 C8 C9 C10 -155.0(8) . . . . ?
C1 O1 C2 C3 -5.4(12) . . . . ?
C1 O1 C2 C7 170.8(9) . . . . ?
C2 C3 C4 C5 0.3(13) . . . . ?
C3 C2 C7 C6 0.0(15) . . . . ?
C3 C4 C5 N2 -175.4(8) . . . . ?
C3 C4 C5 C6 1.8(13) . . . . ?
C4 C5 C6 C7 -3.0(13) . . . . ?
C5 N2 C8 P -154.6(5) . . . . ?
C5 N2 C8 C9 81.0(8) . . . . ?
C5 C6 C7 C2 2.1(15) . . . . ?
C7 C2 C3 C4 -1.2(13) . . . . ?
C8 P O3 C14 132.1(14) . . . . ?
C8 P O4 C16 -115.8(11) . . . . ?
C8 N2 C5 C4 -8.2(11) . . . . ?
C8 N2 C5 C6 174.7(8) . . . . ?
C8 C9 C10 C11 -176.4(9) . . . . ?
C9 N1 C13 C12 -1.9(15) . . . . ?
C9 C10 C11 C12 -3.2(16) . . . . ?
C10 C11 C12 C13 3.9(18) . . . . ?
C11 C12 C13 N1 -1.3(18) . . . . ?
C13 N1 C9 C8 179.2(8) . . . . ?
C13 N1 C9 C10 2.6(13) . . . . ?

