# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_3a_CCDC_1003611
_database_code_depnum_ccdc_archive 'CCDC 1003611'
_audit_update_record             
;
2015-01-13 deposited with the CCDC.
2015-02-11 downloaded from the CCDC.
;
_audit_creation_date             2015-01-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.06 svn.r3119 for OlexSys, GUI svn.r4979)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C24 H33 Cl4 N9 Pt2, C0.13 H0.25 Cl0.25'
_chemical_formula_sum            'C24.12 H33.25 Cl4.25 N9 Pt2'
_chemical_formula_weight         990.19
_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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.9496(14)
_cell_length_b                   15.7777(5)
_cell_length_c                   17.6434(6)
_cell_angle_alpha                90
_cell_angle_beta                 116.753(4)
_cell_angle_gamma                90
_cell_volume                     8190.4(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9008
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.5250
_cell_measurement_theta_min      2.7980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.126
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3754
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            62905
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.582
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -48.00   46.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   77.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega   16.00   48.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   77.0000 -150.0000 32

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00   29.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   77.0000   90.0000 77

#__ type_ start__ end____ width___ exp.time_
  4 omega   22.00   48.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   77.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega   -9.00   36.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   77.0000   60.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega  -11.00   83.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   77.0000  -60.0000 94

#__ type_ start__ end____ width___ exp.time_
  7 omega  -79.00    4.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -57.0000  150.0000 83

#__ type_ start__ end____ width___ exp.time_
  8 omega    2.00   40.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777    0.0000 -180.0000 38

#__ type_ start__ end____ width___ exp.time_
  9 omega  -82.00   -1.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -57.0000   60.0000 81

#__ type_ start__ end____ width___ exp.time_
 10 omega  -77.00  -36.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777    0.0000 -180.0000 41

#__ type_ start__ end____ width___ exp.time_
 11 omega  -20.00   61.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -99.0000   30.0000 81

#__ type_ start__ end____ width___ exp.time_
 12 omega  -20.00   61.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -99.0000  -60.0000 81
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0218330000
_diffrn_orient_matrix_UB_12      0.0026072000
_diffrn_orient_matrix_UB_13      0.0442380000
_diffrn_orient_matrix_UB_21      -0.0035348000
_diffrn_orient_matrix_UB_22      0.0430986000
_diffrn_orient_matrix_UB_23      0.0183140000
_diffrn_orient_matrix_UB_31      -0.0459670000
_diffrn_orient_matrix_UB_32      -0.0127515000
_diffrn_orient_matrix_UB_33      -0.0056812000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5721
_reflns_number_total             9356
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.576
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         9356
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0713
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0922P)²+12.9467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.1978
_refine_special_details          
;
 ?
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.500 0.237 879 137 ' '
2 0.500 0.000 0.389 879 137 ' '
_platon_squeeze_details          
;
The unit cell contains disordered dichloromethane 
molecules which have been treated as a diffuse
contribution to the overall scattering
without specific atom positions by SQUEEZE/PLATON.
;
_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. Restrained distances
 N1-C1
 1.3 with sigma of 0.02
 C1-C2
 1.55 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C25) \\sim Ueq, Uanis(Cl5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.05
Uanis(Cl2A) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.06
Uanis(C2) = Uanis(C1) = Uanis(N1)
Uanis(Cl5) = Uanis(C25)
Uanis(Cl2A) = Uanis(Cl2B)
4. Others
 Sof(Cl2A)=1-FVAR(1)
 Sof(Cl2B)=FVAR(1)
 Fixed Sof: Cl5(0.25) C25(0.125) H25A(0.125) H25B(0.125)
5.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C25(H25A,H25B)
5.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), N4(H4), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21)
5.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C23(H23A,
 H23B,H23C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.08175(2) 0.17914(3) 0.14791(4) 0.0906(2) Uani 1 1 d . . . . .
Pt2 Pt 0.23633(2) 0.19816(3) 0.09742(3) 0.07017(18) Uani 1 1 d . . . . .
Cl1 Cl 0.09839(14) 0.1490(3) 0.2855(2) 0.1117(11) Uani 1 1 d . . . . .
Cl3 Cl 0.19019(13) 0.08269(19) 0.0781(2) 0.0981(10) Uani 1 1 d . . . . .
Cl4 Cl 0.30043(13) 0.1151(2) 0.1518(2) 0.0965(10) Uani 1 1 d . . . . .
N1 N 0.0210(4) 0.1307(10) 0.1075(11) 0.151(4) Uani 1 1 d D . . . .
N2 N 0.1451(3) 0.2212(6) 0.1823(6) 0.074(2) Uani 1 1 d . . . . .
H2 H 0.1614 0.1874 0.1691 0.089 Uiso 1 1 calc R . . . .
N3 N 0.2765(3) 0.3007(5) 0.1149(5) 0.076(3) Uani 1 1 d . . . . .
H3 H 0.2828 0.3131 0.0739 0.092 Uiso 1 1 calc R . . . .
N4 N 0.1783(3) 0.2670(5) 0.0445(5) 0.072(2) Uani 1 1 d . . . . .
H4 H 0.1550 0.2404 0.0077 0.087 Uiso 1 1 calc R . . . .
N5 N 0.3307(4) 0.3993(6) 0.2029(6) 0.083(3) Uani 1 1 d . . . . .
N6 N 0.2743(3) 0.3472(5) 0.2389(5) 0.062(2) Uani 1 1 d . . . . .
N7 N 0.2033(3) 0.3881(5) 0.1317(4) 0.0595(19) Uani 1 1 d . . . . .
N8 N 0.1355(3) 0.3931(6) 0.0054(6) 0.081(3) Uani 1 1 d . . . . .
N9 N 0.2113(3) 0.2955(5) 0.2426(5) 0.062(2) Uani 1 1 d . . . . .
C1 C -0.0156(5) 0.0977(12) 0.0850(13) 0.151(4) Uani 1 1 d D . . . .
C2 C -0.0595(5) 0.0479(12) 0.0545(12) 0.151(4) Uani 1 1 d D . . . .
H2A H -0.0689 0.0299 -0.0029 0.226 Uiso 1 1 calc GR . . . .
H2B H -0.0826 0.0831 0.0571 0.226 Uiso 1 1 calc GR . . . .
H2C H -0.0546 -0.0008 0.0901 0.226 Uiso 1 1 calc GR . . . .
C3 C 0.1655(4) 0.2874(7) 0.2194(7) 0.071(3) Uani 1 1 d . . . . .
C4 C 0.1413(5) 0.3556(9) 0.2464(10) 0.107(4) Uani 1 1 d . . . . .
H4A H 0.1419 0.4086 0.2191 0.129 Uiso 1 1 calc R . . . .
H4B H 0.1098 0.3393 0.2261 0.129 Uiso 1 1 calc R . . . .
C5 C 0.1618(7) 0.3702(13) 0.3410(11) 0.152(7) Uani 1 1 d . . . . .
H5A H 0.1445 0.4126 0.3528 0.229 Uiso 1 1 calc GR . . . .
H5B H 0.1926 0.3891 0.3615 0.229 Uiso 1 1 calc GR . . . .
H5C H 0.1612 0.3183 0.3689 0.229 Uiso 1 1 calc GR . . . .
C6 C 0.2938(4) 0.3499(7) 0.1808(6) 0.066(3) Uani 1 1 d . . . . .
C7 C 0.3555(6) 0.3991(12) 0.1539(10) 0.129(6) Uani 1 1 d . . . . .
H7A H 0.3353 0.4123 0.0959 0.193 Uiso 1 1 calc GR . . . .
H7B H 0.3686 0.3441 0.1570 0.193 Uiso 1 1 calc GR . . . .
H7C H 0.3792 0.4408 0.1761 0.193 Uiso 1 1 calc GR . . . .
C8 C 0.3427(4) 0.4680(7) 0.2628(7) 0.086(3) Uani 1 1 d . . . . .
H8A H 0.3730 0.4596 0.3069 0.129 Uiso 1 1 calc GR . . . .
H8B H 0.3219 0.4697 0.2872 0.129 Uiso 1 1 calc GR . . . .
H8C H 0.3412 0.5206 0.2342 0.129 Uiso 1 1 calc GR . . . .
C9 C 0.3040(4) 0.3192(6) 0.3260(6) 0.062(2) Uani 1 1 d . . . . .
C10 C 0.3334(4) 0.2522(7) 0.3403(7) 0.077(3) Uani 1 1 d . . . . .
H10 H 0.3345 0.2236 0.2952 0.092 Uiso 1 1 calc R . . . .
C11 C 0.3610(5) 0.2284(9) 0.4226(9) 0.097(4) Uani 1 1 d . . . . .
H11 H 0.3828 0.1864 0.4337 0.116 Uiso 1 1 calc R . . . .
C12 C 0.3565(5) 0.2672(10) 0.4899(8) 0.101(4) Uani 1 1 d . . . . .
H12 H 0.3734 0.2486 0.5455 0.121 Uiso 1 1 calc R . . . .
C13 C 0.3267(5) 0.3327(9) 0.4721(7) 0.091(4) Uani 1 1 d . . . . .
H13 H 0.3244 0.3596 0.5169 0.109 Uiso 1 1 calc R . . . .
C14 C 0.3008(4) 0.3599(7) 0.3938(6) 0.075(3) Uani 1 1 d . . . . .
H14 H 0.2809 0.4051 0.3840 0.090 Uiso 1 1 calc R . . . .
C15 C 0.2287(4) 0.3397(6) 0.2051(6) 0.058(2) Uani 1 1 d . . . . .
C16 C 0.2206(4) 0.4696(6) 0.1214(6) 0.069(3) Uani 1 1 d . . . . .
C17 C 0.2285(4) 0.4869(7) 0.0530(6) 0.077(3) Uani 1 1 d . . . . .
H17 H 0.2239 0.4453 0.0125 0.093 Uiso 1 1 calc R . . . .
C18 C 0.2432(5) 0.5649(8) 0.0449(7) 0.090(4) Uani 1 1 d . . . . .
H18 H 0.2465 0.5781 -0.0034 0.108 Uiso 1 1 calc R . . . .
C19 C 0.2534(5) 0.6257(8) 0.1084(9) 0.099(4) Uani 1 1 d . . . . .
H19 H 0.2650 0.6782 0.1039 0.119 Uiso 1 1 calc R . . . .
C20 C 0.2461(5) 0.6070(7) 0.1785(8) 0.089(4) Uani 1 1 d . . . . .
H20 H 0.2530 0.6470 0.2213 0.107 Uiso 1 1 calc R . . . .
C21 C 0.2286(4) 0.5294(7) 0.1845(7) 0.073(3) Uani 1 1 d . . . . .
H21 H 0.2223 0.5173 0.2297 0.087 Uiso 1 1 calc R . . . .
C22 C 0.1706(4) 0.3480(7) 0.0580(7) 0.073(3) Uani 1 1 d . . . . .
C23 C 0.1088(5) 0.3646(10) -0.0826(8) 0.107(4) Uani 1 1 d . . . . .
H23A H 0.0868 0.3235 -0.0849 0.161 Uiso 1 1 calc GR . . . .
H23B H 0.1286 0.3395 -0.1028 0.161 Uiso 1 1 calc GR . . . .
H23C H 0.0934 0.4123 -0.1177 0.161 Uiso 1 1 calc GR . . . .
C24 C 0.1185(5) 0.4640(9) 0.0301(9) 0.111(5) Uani 1 1 d . . . . .
H24A H 0.1243 0.5143 0.0059 0.167 Uiso 1 1 calc GR . . . .
H24B H 0.1333 0.4685 0.0909 0.167 Uiso 1 1 calc GR . . . .
H24C H 0.0864 0.4576 0.0104 0.167 Uiso 1 1 calc GR . . . .
Cl2A Cl 0.0671(3) 0.2022(9) 0.0086(5) 0.145(4) Uani 0.82(2) 1 d . U . A 1
Cl2B Cl 0.0629(13) 0.252(4) 0.030(2) 0.145(4) Uani 0.18(2) 1 d . . . A 2
Cl5 Cl 0.0448(7) 0.3863(13) 0.3512(13) 0.153(6) Uani 0.25 1 d . U . . .
C25 C 0.0000 0.321(6) 0.2500 0.153(6) Uani 0.25 2 d S TU P . .
H25A H 0.0172 0.2845 0.2308 0.183 Uiso 0.125 1 calc R . . . .
H25B H -0.0172 0.2845 0.2692 0.183 Uiso 0.125 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 2.285(4) . ?
Pt1 N1 1.953(13) . ?
Pt1 N2 2.007(9) . ?
Pt1 Cl2A 2.310(8) . ?
Pt1 Cl2B 2.20(3) . ?
Pt2 Cl3 2.298(3) . ?
Pt2 Cl4 2.296(3) . ?
Pt2 N3 2.024(9) . ?
Pt2 N4 2.026(9) . ?
N1 C1 1.206(13) . ?
N2 H2 0.8600 . ?
N2 C3 1.256(13) . ?
N3 H3 0.8600 . ?
N3 C6 1.297(13) . ?
N4 H4 0.8600 . ?
N4 C22 1.345(14) . ?
N5 C6 1.344(13) . ?
N5 C7 1.432(15) . ?
N5 C8 1.440(14) . ?
N6 C6 1.436(12) . ?
N6 C9 1.470(12) . ?
N6 C15 1.349(13) . ?
N7 C15 1.408(12) . ?
N7 C16 1.450(12) . ?
N7 C22 1.412(13) . ?
N8 C22 1.318(14) . ?
N8 C23 1.469(15) . ?
N8 C24 1.405(16) . ?
N9 C3 1.378(14) . ?
N9 C15 1.264(12) . ?
C1 C2 1.514(15) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.537(17) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.51(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.378(14) . ?
C9 C14 1.402(14) . ?
C10 H10 0.9300 . ?
C10 C11 1.375(16) . ?
C11 H11 0.9300 . ?
C11 C12 1.403(19) . ?
C12 H12 0.9300 . ?
C12 C13 1.361(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.327(15) . ?
C14 H14 0.9300 . ?
C16 C17 1.374(14) . ?
C16 C21 1.390(14) . ?
C17 H17 0.9300 . ?
C17 C18 1.353(15) . ?
C18 H18 0.9300 . ?
C18 C19 1.396(17) . ?
C19 H19 0.9300 . ?
C19 C20 1.395(16) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(15) . ?
C21 H21 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
Cl5 C25 2.01(5) . ?
C25 Cl5 2.01(5) 2 ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?

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 Cl2A 176.6(4) . . ?
N1 Pt1 Cl1 91.3(5) . . ?
N1 Pt1 N2 174.6(5) . . ?
N1 Pt1 Cl2A 89.1(5) . . ?
N1 Pt1 Cl2B 93.0(11) . . ?
N2 Pt1 Cl1 91.6(3) . . ?
N2 Pt1 Cl2A 87.7(3) . . ?
N2 Pt1 Cl2B 85.8(10) . . ?
Cl2B Pt1 Cl1 160.2(17) . . ?
Cl4 Pt2 Cl3 91.86(13) . . ?
N3 Pt2 Cl3 179.3(3) . . ?
N3 Pt2 Cl4 88.7(3) . . ?
N3 Pt2 N4 93.3(4) . . ?
N4 Pt2 Cl3 86.1(3) . . ?
N4 Pt2 Cl4 177.0(3) . . ?
C1 N1 Pt1 177.0(18) . . ?
Pt1 N2 H2 113.9 . . ?
C3 N2 Pt1 132.3(9) . . ?
C3 N2 H2 113.9 . . ?
Pt2 N3 H3 116.2 . . ?
C6 N3 Pt2 127.5(7) . . ?
C6 N3 H3 116.2 . . ?
Pt2 N4 H4 115.0 . . ?
C22 N4 Pt2 130.0(8) . . ?
C22 N4 H4 115.0 . . ?
C6 N5 C7 120.7(10) . . ?
C6 N5 C8 124.3(10) . . ?
C7 N5 C8 113.6(10) . . ?
C6 N6 C9 117.0(9) . . ?
C15 N6 C6 117.1(8) . . ?
C15 N6 C9 121.4(8) . . ?
C15 N7 C16 119.5(8) . . ?
C15 N7 C22 119.7(8) . . ?
C22 N7 C16 117.6(7) . . ?
C22 N8 C23 119.9(11) . . ?
C22 N8 C24 123.8(10) . . ?
C24 N8 C23 116.0(11) . . ?
C15 N9 C3 126.1(9) . . ?
N1 C1 C2 174(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 N9 119.3(10) . . ?
N2 C3 C4 120.9(12) . . ?
N9 C3 C4 119.6(10) . . ?
C3 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 C3 114.5(13) . . ?
C5 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N3 C6 N5 125.7(9) . . ?
N3 C6 N6 117.6(10) . . ?
N5 C6 N6 116.6(9) . . ?
N5 C7 H7A 109.5 . . ?
N5 C7 H7B 109.5 . . ?
N5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N5 C8 H8A 109.5 . . ?
N5 C8 H8B 109.5 . . ?
N5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N6 120.3(9) . . ?
C10 C9 C14 120.8(9) . . ?
C14 C9 N6 118.9(9) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.7(11) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.1(12) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.8 . . ?
C13 C12 C11 118.5(12) . . ?
C13 C12 H12 120.8 . . ?
C12 C13 H13 118.5 . . ?
C14 C13 C12 123.1(12) . . ?
C14 C13 H13 118.5 . . ?
C9 C14 H14 120.7 . . ?
C13 C14 C9 118.6(11) . . ?
C13 C14 H14 120.7 . . ?
N6 C15 N7 116.2(8) . . ?
N9 C15 N6 119.6(9) . . ?
N9 C15 N7 124.1(10) . . ?
C17 C16 N7 121.7(9) . . ?
C17 C16 C21 121.7(9) . . ?
C21 C16 N7 116.5(9) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 C16 119.5(10) . . ?
C18 C17 H17 120.3 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.6(10) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.5(10) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(11) . . ?
C21 C20 H20 120.0 . . ?
C16 C21 H21 120.7 . . ?
C20 C21 C16 118.6(10) . . ?
C20 C21 H21 120.7 . . ?
N4 C22 N7 117.5(10) . . ?
N8 C22 N4 124.3(10) . . ?
N8 C22 N7 118.1(10) . . ?
N8 C23 H23A 109.5 . . ?
N8 C23 H23B 109.5 . . ?
N8 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N8 C24 H24A 109.5 . . ?
N8 C24 H24B 109.5 . . ?
N8 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Cl5 C25 Cl5 119(5) 2 . ?
Cl5 C25 H25A 107.7 . . ?
Cl5 C25 H25A 107.7 2 . ?
Cl5 C25 H25B 107.7 2 . ?
Cl5 C25 H25B 107.7 . . ?
H25A C25 H25B 107.1 . . ?

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 C3 N9 173.4(7) . . . . ?
Pt1 N2 C3 C4 -0.9(16) . . . . ?
Pt2 N3 C6 N5 157.6(9) . . . . ?
Pt2 N3 C6 N6 -17.6(14) . . . . ?
Pt2 N4 C22 N7 -16.1(13) . . . . ?
Pt2 N4 C22 N8 161.0(8) . . . . ?
N2 C3 C4 C5 117.3(14) . . . . ?
N6 C9 C10 C11 179.3(10) . . . . ?
N6 C9 C14 C13 178.0(10) . . . . ?
N7 C16 C17 C18 177.8(11) . . . . ?
N7 C16 C21 C20 178.4(10) . . . . ?
N9 C3 C4 C5 -57.0(17) . . . . ?
C3 N9 C15 N6 174.7(9) . . . . ?
C3 N9 C15 N7 -0.5(15) . . . . ?
C6 N6 C9 C10 -41.2(13) . . . . ?
C6 N6 C9 C14 140.9(10) . . . . ?
C6 N6 C15 N7 -41.1(11) . . . . ?
C6 N6 C15 N9 143.4(9) . . . . ?
C7 N5 C6 N3 -2.0(19) . . . . ?
C7 N5 C6 N6 173.2(12) . . . . ?
C8 N5 C6 N3 163.9(11) . . . . ?
C8 N5 C6 N6 -21.0(16) . . . . ?
C9 N6 C6 N3 117.5(10) . . . . ?
C9 N6 C6 N5 -58.1(12) . . . . ?
C9 N6 C15 N7 163.5(8) . . . . ?
C9 N6 C15 N9 -12.1(13) . . . . ?
C9 C10 C11 C12 5(2) . . . . ?
C10 C9 C14 C13 0.1(17) . . . . ?
C10 C11 C12 C13 -5(2) . . . . ?
C11 C12 C13 C14 2(2) . . . . ?
C12 C13 C14 C9 0(2) . . . . ?
C14 C9 C10 C11 -2.9(17) . . . . ?
C15 N6 C6 N3 -39.0(13) . . . . ?
C15 N6 C6 N5 145.4(9) . . . . ?
C15 N6 C9 C10 114.2(11) . . . . ?
C15 N6 C9 C14 -63.6(12) . . . . ?
C15 N7 C16 C17 121.6(11) . . . . ?
C15 N7 C16 C21 -58.4(13) . . . . ?
C15 N7 C22 N4 -30.8(13) . . . . ?
C15 N7 C22 N8 151.9(10) . . . . ?
C15 N9 C3 N2 103.2(12) . . . . ?
C15 N9 C3 C4 -82.4(14) . . . . ?
C16 N7 C15 N6 -32.4(12) . . . . ?
C16 N7 C15 N9 142.9(9) . . . . ?
C16 N7 C22 N4 128.6(10) . . . . ?
C16 N7 C22 N8 -48.6(13) . . . . ?
C16 C17 C18 C19 5(2) . . . . ?
C17 C16 C21 C20 -1.7(17) . . . . ?
C17 C18 C19 C20 -3(2) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C19 C20 C21 C16 3.0(18) . . . . ?
C21 C16 C17 C18 -2.1(18) . . . . ?
C22 N7 C15 N6 126.7(9) . . . . ?
C22 N7 C15 N9 -58.0(13) . . . . ?
C22 N7 C16 C17 -37.8(15) . . . . ?
C22 N7 C16 C21 142.1(10) . . . . ?
C23 N8 C22 N4 -16.3(17) . . . . ?
C23 N8 C22 N7 160.8(10) . . . . ?
C24 N8 C22 N4 156.9(12) . . . . ?
C24 N8 C22 N7 -26.1(17) . . . . ?


####################################################################### 
# 
# 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_stv_1807
_database_code_depnum_ccdc_archive 'CCDC 1020786'
_audit_update_record             
;
2014-12-16 deposited with the CCDC.
2015-02-11 downloaded from the CCDC.
;
_audit_creation_date             2014-12-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.23 svn.r2946 for OlexSys, GUI svn.r4855)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C25 H35 Cl6 N9 Pt2, 2(C H Cl3)'
_chemical_formula_sum            'C27 H37 Cl12 N9 Pt2'
_chemical_formula_weight         1303.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H30 Pt Cl N10'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   12.0973(5)
_cell_length_b                   13.5538(5)
_cell_length_c                   26.8946(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.307(5)
_cell_angle_gamma                90.00
_cell_volume                     4363.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5662
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.8200
_cell_measurement_theta_min      3.0300
_exptl_absorpt_coefficient_mu    7.173
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0839
_diffrn_reflns_av_unetI/netI     0.0988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            42248
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.60
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.9983
_diffrn_measured_fraction_theta_max 0.9983
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -27.00   21.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   57.0000  -30.0000 48

#__ type_ start__ end____ width___ exp.time_
  2 omega   -4.00   22.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega  -84.00   -6.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -57.0000    0.0000 78

#__ type_ start__ end____ width___ exp.time_
  4 omega   39.00   78.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  178.0000  -30.0000 39

#__ type_ start__ end____ width___ exp.time_
  5 omega  -48.00   35.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -38.0000   30.0000 83

#__ type_ start__ end____ width___ exp.time_
  6 omega  -90.00  -28.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -38.0000   30.0000 62

#__ type_ start__ end____ width___ exp.time_
  7 omega  -31.00   42.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   57.0000   30.0000 73

#__ type_ start__ end____ width___ exp.time_
  8 omega   -6.00   24.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000  -90.0000 30

#__ type_ start__ end____ width___ exp.time_
  9 omega  -25.00    0.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
 10 omega   15.00   41.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   57.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
 11 omega   53.00   78.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   57.0000   60.0000 25

#__ type_ start__ end____ width___ exp.time_
 12 omega   41.00   67.00   1.0000  160.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  178.0000   30.0000 26
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0118465000
_diffrn_orient_matrix_UB_12      -0.0512177000
_diffrn_orient_matrix_UB_13      -0.0015873000
_diffrn_orient_matrix_UB_21      0.0342831000
_diffrn_orient_matrix_UB_22      -0.0074626000
_diffrn_orient_matrix_UB_23      0.0234218000
_diffrn_orient_matrix_UB_31      -0.0468521000
_diffrn_orient_matrix_UB_32      0.0074706000
_diffrn_orient_matrix_UB_33      0.0126636000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5610
_reflns_number_total             8537
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         5.103
_refine_diff_density_min         -3.248
_refine_diff_density_rms         0.269
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8537
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1433
_refine_ls_R_factor_gt           0.0945
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0705P)²+149.6266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1998
_refine_ls_wR_factor_ref         0.2329
_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     iterative
_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 0.37356(8) 0.15975(7) 0.07560(3) 0.0622(3) Uani 1 1 d . . .
Pt2 Pt 0.57258(5) 0.12220(5) 0.28966(3) 0.0423(2) Uani 1 1 d . . .
Cl1 Cl 0.1832(6) 0.1520(5) 0.0489(2) 0.0789(18) Uani 1 1 d . . .
Cl2 Cl 0.5635(5) 0.1550(5) 0.1049(3) 0.087(2) Uani 1 1 d . . .
Cl3 Cl 0.6365(4) -0.0004(3) 0.2419(2) 0.0593(14) Uani 1 1 d . . .
Cl4 Cl 0.5959(4) 0.0234(4) 0.3608(2) 0.0651(15) Uani 1 1 d . . .
Cl5 Cl 0.7521(3) 0.1849(3) 0.3104(3) 0.0663(17) Uani 1 1 d . . .
Cl6 Cl 0.3943(3) 0.0590(3) 0.26711(18) 0.0410(10) Uani 1 1 d . . .
Cl7 Cl -0.0552(12) 0.1197(10) 0.4482(5) 0.179(5) Uani 1 1 d . . .
Cl8 Cl -0.2613(11) 0.1658(10) 0.4782(5) 0.176(5) Uani 1 1 d . . .
Cl9 Cl -0.1935(17) -0.0283(12) 0.4774(9) 0.302(12) Uani 1 1 d D . .
Cl10 Cl 0.7054(8) 0.5726(6) 0.4806(3) 0.114(3) Uani 1 1 d . . .
Cl11 Cl 0.7692(5) 0.7506(5) 0.5327(2) 0.0756(17) Uani 1 1 d . . .
Cl12 Cl 0.6266(8) 0.7615(9) 0.4386(3) 0.145(4) Uani 1 1 d . . .
N1 N 0.4038(19) 0.1336(15) 0.0070(8) 0.085(7) Uani 1 1 d . . .
N2 N 0.3490(11) 0.1887(11) 0.1456(6) 0.041(3) Uani 1 1 d . . .
H2 H 0.3657 0.1408 0.1663 0.049 Uiso 1 1 calc R . .
N3 N 0.5303(11) 0.2331(10) 0.3352(5) 0.038(3) Uani 1 1 d . . .
H3 H 0.5855 0.2477 0.3579 0.046 Uiso 1 1 calc R . .
N4 N 0.5609(10) 0.2043(10) 0.2263(6) 0.045(4) Uani 1 1 d . . .
H4 H 0.5607 0.1715 0.1989 0.054 Uiso 1 1 calc R . .
N5 N 0.4348(11) 0.3395(11) 0.3814(5) 0.038(3) Uani 1 1 d . . .
N6 N 0.3527(9) 0.2918(8) 0.3003(5) 0.025(3) Uani 1 1 d . . .
N7 N 0.4721(9) 0.3493(8) 0.2437(5) 0.027(3) Uani 1 1 d . . .
N8 N 0.6146(11) 0.3524(9) 0.1939(6) 0.038(3) Uani 1 1 d . . .
N9 N 0.3034(10) 0.2624(9) 0.2156(5) 0.031(3) Uani 1 1 d . . .
C1 C 0.425(3) 0.1179(18) -0.0325(11) 0.099(11) Uani 1 1 d . . .
C2 C 0.457(3) 0.1055(18) -0.0818(8) 0.078(8) Uani 1 1 d . . .
H2A H 0.5003 0.1612 -0.0907 0.094 Uiso 1 1 calc R . .
H2B H 0.4993 0.0454 -0.0838 0.094 Uiso 1 1 calc R . .
C3 C 0.3124(12) 0.2669(12) 0.1656(6) 0.033(4) Uani 1 1 d . . .
C4 C 0.2673(16) 0.3543(13) 0.1373(6) 0.046(5) Uani 1 1 d . . .
H4A H 0.2876 0.3519 0.1038 0.055 Uiso 1 1 calc R . .
H4B H 0.3005 0.4132 0.1538 0.055 Uiso 1 1 calc R . .
C5 C 0.1395(19) 0.3605(17) 0.1337(9) 0.074(7) Uani 1 1 d . . .
H5A H 0.1136 0.4207 0.1172 0.111 Uiso 1 1 calc R . .
H5B H 0.1189 0.3594 0.1669 0.111 Uiso 1 1 calc R . .
H5C H 0.1061 0.3052 0.1149 0.111 Uiso 1 1 calc R . .
C6 C 0.4438(13) 0.2874(10) 0.3395(6) 0.031(4) Uani 1 1 d . . .
C7 C 0.5121(17) 0.3279(18) 0.4253(7) 0.064(6) Uani 1 1 d . . .
H7A H 0.5303 0.2593 0.4301 0.096 Uiso 1 1 calc R . .
H7B H 0.4800 0.3520 0.4536 0.096 Uiso 1 1 calc R . .
H7C H 0.5786 0.3645 0.4222 0.096 Uiso 1 1 calc R . .
C8 C 0.3605(18) 0.4231(14) 0.3819(7) 0.055(5) Uani 1 1 d . . .
H8A H 0.4036 0.4817 0.3904 0.083 Uiso 1 1 calc R . .
H8B H 0.3113 0.4122 0.4064 0.083 Uiso 1 1 calc R . .
H8C H 0.3173 0.4308 0.3493 0.083 Uiso 1 1 calc R . .
C9 C 0.2448(12) 0.2589(12) 0.3119(6) 0.035(4) Uani 1 1 d . . .
C10 C 0.2406(12) 0.1813(10) 0.3438(6) 0.027(3) Uani 1 1 d . . .
H10 H 0.3059 0.1493 0.3577 0.033 Uiso 1 1 calc R . .
C11 C 0.1387(13) 0.1505(13) 0.3555(7) 0.041(4) Uani 1 1 d . . .
H11 H 0.1342 0.0967 0.3765 0.049 Uiso 1 1 calc R . .
C12 C 0.0439(13) 0.2007(14) 0.3355(7) 0.043(4) Uani 1 1 d . . .
H12 H -0.0244 0.1815 0.3445 0.051 Uiso 1 1 calc R . .
C13 C 0.0463(14) 0.2770(15) 0.3033(7) 0.047(5) Uani 1 1 d . . .
H13 H -0.0193 0.3070 0.2884 0.056 Uiso 1 1 calc R . .
C14 C 0.1504(13) 0.3093(12) 0.2931(6) 0.038(4) Uani 1 1 d . . .
H14 H 0.1553 0.3651 0.2735 0.045 Uiso 1 1 calc R . .
C15 C 0.3743(12) 0.2969(10) 0.2511(7) 0.030(4) Uani 1 1 d . . .
C16 C 0.4940(11) 0.4428(10) 0.2683(6) 0.025(3) Uani 1 1 d . . .
C17 C 0.4106(12) 0.5119(11) 0.2638(6) 0.030(3) Uani 1 1 d . . .
H17 H 0.3419 0.4980 0.2448 0.036 Uiso 1 1 calc R . .
C18 C 0.4282(13) 0.6031(12) 0.2877(7) 0.037(4) Uani 1 1 d . . .
H18 H 0.3715 0.6500 0.2853 0.044 Uiso 1 1 calc R . .
C19 C 0.5315(13) 0.6224(12) 0.3149(7) 0.041(4) Uani 1 1 d . . .
H19 H 0.5443 0.6823 0.3316 0.049 Uiso 1 1 calc R . .
C20 C 0.6151(13) 0.5542(12) 0.3176(7) 0.043(4) Uani 1 1 d . . .
H20 H 0.6855 0.5700 0.3344 0.051 Uiso 1 1 calc R . .
C21 C 0.5973(12) 0.4622(11) 0.2959(7) 0.039(4) Uani 1 1 d . . .
H21 H 0.6532 0.4146 0.2997 0.047 Uiso 1 1 calc R . .
C22 C 0.5532(12) 0.3027(11) 0.2209(7) 0.037(4) Uani 1 1 d . . .
C23 C 0.7235(15) 0.3119(14) 0.1822(9) 0.056(6) Uani 1 1 d . . .
H23A H 0.7516 0.2639 0.2071 0.085 Uiso 1 1 calc R . .
H23B H 0.7765 0.3647 0.1823 0.085 Uiso 1 1 calc R . .
H23C H 0.7120 0.2814 0.1496 0.085 Uiso 1 1 calc R . .
C24 C 0.5799(15) 0.4456(12) 0.1694(7) 0.045(5) Uani 1 1 d . . .
H24A H 0.5018 0.4562 0.1706 0.067 Uiso 1 1 calc R . .
H24B H 0.5925 0.4434 0.1350 0.067 Uiso 1 1 calc R . .
H24C H 0.6223 0.4987 0.1864 0.067 Uiso 1 1 calc R . .
C25 C 0.353(2) 0.101(2) -0.1126(10) 0.089(9) Uani 1 1 d . . .
H25A H 0.3648 0.0981 -0.1472 0.134 Uiso 1 1 calc R . .
H25B H 0.3100 0.1579 -0.1072 0.134 Uiso 1 1 calc R . .
H25C H 0.3143 0.0424 -0.1046 0.134 Uiso 1 1 calc R . .
C26 C -0.181(2) 0.0845(17) 0.4450(9) 0.103(8) Uani 1 1 d D . .
H26 H -0.2157 0.0785 0.4099 0.123 Uiso 1 1 calc R . .
C27 C 0.736(2) 0.697(3) 0.4747(10) 0.103(8) Uani 1 1 d . . .
H27 H 0.8018 0.7019 0.4575 0.123 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 2.313(7) . ?
Pt1 Cl2 2.320(6) . ?
Pt1 N1 1.965(19) . ?
Pt1 N2 1.986(14) . ?
Pt2 Cl3 2.302(5) . ?
Pt2 Cl4 2.319(6) . ?
Pt2 Cl5 2.324(4) . ?
Pt2 Cl6 2.319(4) . ?
Pt2 N3 2.050(15) . ?
Pt2 N4 2.024(16) . ?
Cl7 C26 1.59(3) . ?
Cl8 C26 1.79(3) . ?
Cl9 C26 1.776(18) . ?
Cl10 C27 1.74(4) . ?
Cl11 C27 1.71(3) . ?
Cl12 C27 1.76(3) . ?
N1 C1 1.14(3) . ?
N2 C3 1.30(2) . ?
N3 C6 1.299(19) . ?
N4 C22 1.34(2) . ?
N5 C6 1.35(2) . ?
N5 C7 1.41(2) . ?
N5 C8 1.45(2) . ?
N6 C6 1.41(2) . ?
N6 C9 1.455(18) . ?
N6 C15 1.39(2) . ?
N7 C15 1.418(17) . ?
N7 C16 1.436(18) . ?
N7 C22 1.383(19) . ?
N8 C22 1.300(19) . ?
N8 C23 1.50(2) . ?
N8 C24 1.46(2) . ?
N9 C3 1.37(2) . ?
N9 C15 1.28(2) . ?
C1 C2 1.45(3) . ?
C2 C25 1.40(3) . ?
C3 C4 1.47(2) . ?
C4 C5 1.54(3) . ?
C9 C10 1.36(2) . ?
C9 C14 1.36(2) . ?
C10 C11 1.38(2) . ?
C11 C12 1.37(2) . ?
C12 C13 1.35(3) . ?
C13 C14 1.40(2) . ?
C16 C17 1.37(2) . ?
C16 C21 1.38(2) . ?
C17 C18 1.40(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.36(2) . ?
C20 C21 1.38(2) . ?

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 175.5(3) . . ?
N1 Pt1 Cl1 90.7(7) . . ?
N1 Pt1 Cl2 90.2(7) . . ?
N1 Pt1 N2 177.7(8) . . ?
N2 Pt1 Cl1 91.4(4) . . ?
N2 Pt1 Cl2 87.7(4) . . ?
Cl3 Pt2 Cl4 91.9(2) . . ?
Cl3 Pt2 Cl5 91.18(18) . . ?
Cl3 Pt2 Cl6 87.80(15) . . ?
Cl4 Pt2 Cl5 90.9(2) . . ?
Cl6 Pt2 Cl4 90.00(18) . . ?
Cl6 Pt2 Cl5 178.7(2) . . ?
N3 Pt2 Cl3 174.8(4) . . ?
N3 Pt2 Cl4 86.6(4) . . ?
N3 Pt2 Cl5 83.9(4) . . ?
N3 Pt2 Cl6 97.2(4) . . ?
N4 Pt2 Cl3 85.1(4) . . ?
N4 Pt2 Cl4 176.4(4) . . ?
N4 Pt2 Cl5 87.2(4) . . ?
N4 Pt2 Cl6 91.9(4) . . ?
N4 Pt2 N3 96.2(5) . . ?
C1 N1 Pt1 178(3) . . ?
C3 N2 Pt1 131.5(13) . . ?
C6 N3 Pt2 138.0(12) . . ?
C22 N4 Pt2 129.1(13) . . ?
C6 N5 C7 121.3(16) . . ?
C6 N5 C8 123.0(14) . . ?
C7 N5 C8 114.7(16) . . ?
C6 N6 C9 117.0(12) . . ?
C15 N6 C6 118.7(12) . . ?
C15 N6 C9 121.3(13) . . ?
C15 N7 C16 118.7(12) . . ?
C22 N7 C15 119.5(12) . . ?
C22 N7 C16 120.8(11) . . ?
C22 N8 C23 121.2(14) . . ?
C22 N8 C24 123.5(13) . . ?
C24 N8 C23 115.1(14) . . ?
C15 N9 C3 125.4(13) . . ?
N1 C1 C2 175(3) . . ?
C25 C2 C1 102(3) . . ?
N2 C3 N9 117.0(15) . . ?
N2 C3 C4 124.6(16) . . ?
N9 C3 C4 118.0(15) . . ?
C3 C4 C5 111.8(16) . . ?
N3 C6 N5 122.4(15) . . ?
N3 C6 N6 120.6(15) . . ?
N5 C6 N6 117.0(13) . . ?
C10 C9 N6 119.2(14) . . ?
C10 C9 C14 121.0(14) . . ?
C14 C9 N6 119.7(14) . . ?
C9 C10 C11 119.4(15) . . ?
C12 C11 C10 119.0(16) . . ?
C13 C12 C11 122.3(15) . . ?
C12 C13 C14 117.9(16) . . ?
C9 C14 C13 120.1(16) . . ?
N6 C15 N7 115.8(13) . . ?
N9 C15 N6 119.7(13) . . ?
N9 C15 N7 124.3(15) . . ?
C17 C16 N7 118.6(13) . . ?
C17 C16 C21 120.9(13) . . ?
C21 C16 N7 120.4(12) . . ?
C16 C17 C18 120.3(14) . . ?
C19 C18 C17 118.6(14) . . ?
C20 C19 C18 120.5(16) . . ?
C19 C20 C21 121.4(16) . . ?
C20 C21 C16 118.2(14) . . ?
N4 C22 N7 116.7(13) . . ?
N8 C22 N4 122.6(14) . . ?
N8 C22 N7 120.7(13) . . ?
Cl7 C26 Cl8 111.9(16) . . ?
Cl7 C26 Cl9 112.3(16) . . ?
Cl9 C26 Cl8 101.3(14) . . ?
Cl10 C27 Cl12 112.2(16) . . ?
Cl11 C27 Cl10 110.6(18) . . ?
Cl11 C27 Cl12 110.7(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -64(83) . . . . ?
Pt1 N2 C3 N9 178.9(10) . . . . ?
Pt1 N2 C3 C4 7(2) . . . . ?
Pt2 N3 C6 N5 164.1(12) . . . . ?
Pt2 N3 C6 N6 -14(2) . . . . ?
Pt2 N4 C22 N7 -51(2) . . . . ?
Pt2 N4 C22 N8 132.3(16) . . . . ?
Cl1 Pt1 N1 C1 -169(62) . . . . ?
Cl1 Pt1 N2 C3 -71.7(14) . . . . ?
Cl2 Pt1 N1 C1 7(62) . . . . ?
Cl2 Pt1 N2 C3 112.7(14) . . . . ?
Cl3 Pt2 N3 C6 170(3) . . . . ?
Cl3 Pt2 N4 C22 -161.9(13) . . . . ?
Cl4 Pt2 N3 C6 -116.8(16) . . . . ?
Cl4 Pt2 N4 C22 -128(6) . . . . ?
Cl5 Pt2 N3 C6 152.0(16) . . . . ?
Cl5 Pt2 N4 C22 -70.5(13) . . . . ?
Cl6 Pt2 N3 C6 -27.2(16) . . . . ?
Cl6 Pt2 N4 C22 110.5(13) . . . . ?
N1 Pt1 N2 C3 85(20) . . . . ?
N1 C1 C2 C25 -125(42) . . . . ?
N2 Pt1 N1 C1 34(74) . . . . ?
N2 C3 C4 C5 105.8(19) . . . . ?
N3 Pt2 N4 C22 13.0(13) . . . . ?
N4 Pt2 N3 C6 65.5(17) . . . . ?
N6 C9 C10 C11 179.2(14) . . . . ?
N6 C9 C14 C13 178.7(16) . . . . ?
N7 C16 C17 C18 179.1(14) . . . . ?
N7 C16 C21 C20 178.2(15) . . . . ?
N9 C3 C4 C5 -66(2) . . . . ?
C3 N9 C15 N6 176.9(14) . . . . ?
C3 N9 C15 N7 3(2) . . . . ?
C6 N6 C9 C10 -36(2) . . . . ?
C6 N6 C9 C14 140.1(16) . . . . ?
C6 N6 C15 N7 -33.3(18) . . . . ?
C6 N6 C15 N9 152.0(14) . . . . ?
C7 N5 C6 N3 -8(2) . . . . ?
C7 N5 C6 N6 169.7(15) . . . . ?
C8 N5 C6 N3 159.3(16) . . . . ?
C8 N5 C6 N6 -22(2) . . . . ?
C9 N6 C6 N3 119.2(16) . . . . ?
C9 N6 C6 N5 -59.0(18) . . . . ?
C9 N6 C15 N7 167.0(12) . . . . ?
C9 N6 C15 N9 -8(2) . . . . ?
C9 C10 C11 C12 -2(3) . . . . ?
C10 C9 C14 C13 -5(3) . . . . ?
C10 C11 C12 C13 3(3) . . . . ?
C11 C12 C13 C14 -5(3) . . . . ?
C12 C13 C14 C9 6(3) . . . . ?
C14 C9 C10 C11 3(3) . . . . ?
C15 N6 C6 N3 -41.4(19) . . . . ?
C15 N6 C6 N5 140.4(14) . . . . ?
C15 N6 C9 C10 123.9(16) . . . . ?
C15 N6 C9 C14 -60(2) . . . . ?
C15 N7 C16 C17 -50.0(19) . . . . ?
C15 N7 C16 C21 129.8(15) . . . . ?
C15 N7 C22 N4 -28(2) . . . . ?
C15 N7 C22 N8 149.1(16) . . . . ?
C15 N9 C3 N2 99.1(19) . . . . ?
C15 N9 C3 C4 -88.3(19) . . . . ?
C16 N7 C15 N6 -45.4(18) . . . . ?
C16 N7 C15 N9 129.0(16) . . . . ?
C16 N7 C22 N4 140.5(16) . . . . ?
C16 N7 C22 N8 -43(2) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C16 C21 C20 -2(2) . . . . ?
C17 C18 C19 C20 1(3) . . . . ?
C18 C19 C20 C21 -4(3) . . . . ?
C19 C20 C21 C16 4(3) . . . . ?
C21 C16 C17 C18 -1(2) . . . . ?
C22 N7 C15 N6 123.2(16) . . . . ?
C22 N7 C15 N9 -62(2) . . . . ?
C22 N7 C16 C17 141.5(15) . . . . ?
C22 N7 C16 C21 -39(2) . . . . ?
C23 N8 C22 N4 -22(3) . . . . ?
C23 N8 C22 N7 161.1(16) . . . . ?
C24 N8 C22 N4 152.3(17) . . . . ?
C24 N8 C22 N7 -25(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
