# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_try

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H20 Cl2 N4 Pt'
_chemical_formula_weight         462.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   15.474(3)
_cell_length_b                   7.0663(14)
_cell_length_c                   14.061(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.334(7)
_cell_angle_gamma                90
_cell_volume                     1441.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9348
_cell_measurement_theta_min      3.21
_cell_measurement_theta_max      30.55

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.130
_exptl_crystal_F_000             880
_exptl_transmission_factor_min   0.107
_exptl_transmission_factor_max   0.152
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    10.089
_shelx_estimated_absorpt_T_min   0.107
_shelx_estimated_absorpt_T_max   0.152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.107
_exptl_absorpt_correction_T_max  0.152
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            90085
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.766
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4387
_reflns_number_gt                3481
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0340P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4387
_refine_ls_number_parameters     156
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0750
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_restrained_S_all      1.177
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.889
_refine_diff_density_min         -1.500
_refine_diff_density_rms         0.146

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 0.5000 0.0000 0.5000 0.00716(6) Uani 1 2 d S . P . .
Pt2 Pt 0.0000 0.5000 0.5000 0.00951(6) Uani 1 2 d S . P . .
Cl1 Cl 0.63158(5) 0.07577(11) 0.46631(6) 0.01371(14) Uani 1 1 d . . . . .
Cl2 Cl 0.12443(13) 0.3462(3) 0.47863(15) 0.0157(4) Uiso 0.4 1 d . . P . .
Cl2A Cl 0.13028(10) 0.4149(2) 0.46607(11) 0.0182(3) Uiso 0.6 1 d . . P . .
C1 C 0.41948(19) 0.1299(4) 0.3712(2) 0.0100(5) Uani 1 1 d . . . . .
C2 C 0.3360(2) 0.1848(5) 0.1991(2) 0.0196(7) Uani 1 1 d . . . . .
H2A H 0.2798 0.1209 0.1584 0.024 Uiso 1 1 calc R U . . .
H2B H 0.3674 0.2328 0.1552 0.024 Uiso 1 1 calc R U . . .
C3 C 0.3163(2) 0.3421(5) 0.2629(2) 0.0183(6) Uani 1 1 d . . . . .
H3A H 0.3302 0.4653 0.2414 0.022 Uiso 1 1 calc R U . . .
H3B H 0.2524 0.3399 0.2587 0.022 Uiso 1 1 calc R U . . .
C4 C 0.4347(2) -0.1070(5) 0.2481(3) 0.0206(7) Uani 1 1 d . . . . .
H4A H 0.4717 -0.1741 0.3078 0.031 Uiso 1 1 calc R U . . .
H4B H 0.4723 -0.0698 0.2096 0.031 Uiso 1 1 calc R U . . .
H4C H 0.3859 -0.1876 0.2075 0.031 Uiso 1 1 calc R U . . .
C5 C 0.3772(2) 0.4118(5) 0.4506(3) 0.0206(7) Uani 1 1 d . . . . .
H5A H 0.4216 0.3637 0.5120 0.031 Uiso 1 1 calc R U . . .
H5B H 0.3169 0.4075 0.4555 0.031 Uiso 1 1 calc R U . . .
H5C H 0.3923 0.5403 0.4404 0.031 Uiso 1 1 calc R U . . .
C6 C -0.0843(2) 0.4375(4) 0.3575(2) 0.0112(5) Uani 1 1 d . . . . .
C7 C -0.1632(2) 0.4635(5) 0.1829(2) 0.0164(6) Uani 1 1 d . . . . .
H7A H -0.1333 0.4328 0.1346 0.020 Uiso 1 1 calc R U . . .
H7B H -0.2143 0.5488 0.1513 0.020 Uiso 1 1 calc R U . . .
C8 C -0.1955(2) 0.2847(5) 0.2221(2) 0.0169(6) Uani 1 1 d . . . . .
H8A H -0.2606 0.2916 0.2126 0.020 Uiso 1 1 calc R U . . .
H8B H -0.1843 0.1725 0.1883 0.020 Uiso 1 1 calc R U . . .
C9 C -0.0434(2) 0.7097(5) 0.2731(3) 0.0223(7) Uani 1 1 d . . . . .
H9A H -0.0045 0.7417 0.3408 0.034 Uiso 1 1 calc R U . . .
H9B H -0.0835 0.8141 0.2438 0.034 Uiso 1 1 calc R U . . .
H9C H -0.0060 0.6826 0.2328 0.034 Uiso 1 1 calc R U . . .
C10 C -0.1469(3) 0.1402(5) 0.3993(3) 0.0236(7) Uani 1 1 d . . . . .
H10A H -0.1038 0.1656 0.4661 0.035 Uiso 1 1 calc R U . . .
H10B H -0.1339 0.0186 0.3770 0.035 Uiso 1 1 calc R U . . .
H10C H -0.2084 0.1407 0.4010 0.035 Uiso 1 1 calc R U . . .
N1 N 0.39576(19) 0.0598(4) 0.2776(2) 0.0151(5) Uani 1 1 d . . . . .
N2 N 0.37850(18) 0.2975(4) 0.3660(2) 0.0145(5) Uani 1 1 d . . . . .
N3 N -0.0976(2) 0.5461(5) 0.2759(2) 0.0175(6) Uani 1 1 d . . . . .
N4 N -0.13867(19) 0.2848(4) 0.32992(19) 0.0162(5) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.026(3) 3_656 ?
Pt1 C1 2.026(3) . ?
Pt1 Cl1 2.3080(8) . ?
Pt1 Cl1 2.3080(8) 3_656 ?
Pt2 C6 2.024(3) 3_566 ?
Pt2 C6 2.024(3) . ?
Pt2 Cl2A 2.3069(14) 3_566 ?
Pt2 Cl2A 2.3069(14) . ?
Pt2 Cl2 2.320(2) . ?
Pt2 Cl2 2.320(2) 3_566 ?
Cl2 Cl2A 0.535(2) . ?
C1 N1 1.333(4) . ?
C1 N2 1.333(4) . ?
C2 N1 1.464(4) . ?
C2 C3 1.523(5) . ?
C3 N2 1.469(4) . ?
C4 N1 1.448(4) . ?
C5 N2 1.443(4) . ?
C6 N3 1.335(4) . ?
C6 N4 1.340(4) . ?
C7 N3 1.469(4) . ?
C7 C8 1.530(5) . ?
C8 N4 1.465(4) . ?
C9 N3 1.437(4) . ?
C10 N4 1.448(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C1 180.0 3_656 . ?
C1 Pt1 Cl1 88.64(8) 3_656 . ?
C1 Pt1 Cl1 91.36(8) . . ?
C1 Pt1 Cl1 91.37(8) 3_656 3_656 ?
C1 Pt1 Cl1 88.63(8) . 3_656 ?
Cl1 Pt1 Cl1 180.0 . 3_656 ?
C6 Pt2 C6 180.0 3_566 . ?
C6 Pt2 Cl2A 92.71(9) 3_566 3_566 ?
C6 Pt2 Cl2A 87.29(9) . 3_566 ?
C6 Pt2 Cl2A 87.29(9) 3_566 . ?
C6 Pt2 Cl2A 92.71(9) . . ?
Cl2A Pt2 Cl2A 180.0 3_566 . ?
C6 Pt2 Cl2 87.25(10) 3_566 . ?
C6 Pt2 Cl2 92.75(10) . . ?
Cl2A Pt2 Cl2 166.73(5) 3_566 . ?
Cl2A Pt2 Cl2 13.27(5) . . ?
C6 Pt2 Cl2 92.75(10) 3_566 3_566 ?
C6 Pt2 Cl2 87.25(10) . 3_566 ?
Cl2A Pt2 Cl2 13.26(5) 3_566 3_566 ?
Cl2A Pt2 Cl2 166.73(5) . 3_566 ?
Cl2 Pt2 Cl2 180.0 . 3_566 ?
Cl2A Cl2 Pt2 82.0(3) . . ?
Cl2 Cl2A Pt2 84.7(3) . . ?
N1 C1 N2 108.3(3) . . ?
N1 C1 Pt1 125.9(2) . . ?
N2 C1 Pt1 125.8(2) . . ?
N1 C2 C3 101.5(2) . . ?
N2 C3 C2 103.2(2) . . ?
N3 C6 N4 108.7(3) . . ?
N3 C6 Pt2 125.4(2) . . ?
N4 C6 Pt2 125.9(2) . . ?
N3 C7 C8 102.7(3) . . ?
N4 C8 C7 102.6(2) . . ?
C1 N1 C4 125.9(3) . . ?
C1 N1 C2 113.9(3) . . ?
C4 N1 C2 119.5(3) . . ?
C1 N2 C5 126.5(3) . . ?
C1 N2 C3 112.4(3) . . ?
C5 N2 C3 120.1(3) . . ?
C6 N3 C9 124.6(3) . . ?
C6 N3 C7 112.9(3) . . ?
C9 N3 C7 121.6(3) . . ?
C6 N4 C10 124.5(3) . . ?
C6 N4 C8 113.0(3) . . ?
C10 N4 C8 122.4(3) . . ?


_shelxl_version_number           2013-4
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_database_code_depnum_ccdc_archive 'CCDC 1010048'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_try

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H60 Cl6 N12 Pt3'
_chemical_formula_weight         1386.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   19.905(2)
_cell_length_b                   11.9335(11)
_cell_length_c                   18.0082(18)
_cell_angle_alpha                90
_cell_angle_beta                 98.522(6)
_cell_angle_gamma                90
_cell_volume                     4230.3(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9404
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      30.47

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.178
_exptl_crystal_F_000             2640
_exptl_transmission_factor_min   0.023
_exptl_transmission_factor_max   0.045
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_absorpt_coefficient_mu    10.315
_shelx_estimated_absorpt_T_min   0.023
_shelx_estimated_absorpt_T_max   0.045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.023
_exptl_absorpt_correction_T_max  0.045
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            278310
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.414
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12879
_reflns_number_gt                11140
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+8.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12879
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0511
_refine_ls_wR_factor_gt          0.0480
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.041
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.137

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
Pt1A Pt 0.08321(2) 0.34457(2) 0.43592(2) 0.00912(3) Uani 1 1 d . . . . .
Pt1B Pt 0.25168(2) -0.15035(2) 0.45730(2) 0.00958(3) Uani 1 1 d . . . . .
Pt1C Pt 0.41813(2) 0.30516(2) 0.23724(2) 0.00903(3) Uani 1 1 d . . . . .
C1C C 0.50145(14) 0.3696(2) 0.20645(15) 0.0120(5) Uani 1 1 d . . . . .
C1B C 0.16455(13) -0.0870(2) 0.40914(15) 0.0123(5) Uani 1 1 d . . . . .
C1A C 0.08153(13) 0.4658(2) 0.36165(15) 0.0120(5) Uani 1 1 d . . . . .
C2C C 0.61277(15) 0.4333(3) 0.21141(18) 0.0193(6) Uani 1 1 d . . . . .
H2CA H 0.6474 0.3775 0.2069 0.023 Uiso 1 1 calc R U . . .
H2CB H 0.6340 0.4992 0.2363 0.023 Uiso 1 1 calc R U . . .
C2A C 0.07189(15) 0.6431(3) 0.30681(17) 0.0176(6) Uani 1 1 d . . . . .
H2AA H 0.1015 0.7079 0.3146 0.021 Uiso 1 1 calc R U . . .
H2AB H 0.0258 0.6677 0.2895 0.021 Uiso 1 1 calc R U . . .
C2B C 0.05217(14) -0.0249(3) 0.38646(17) 0.0176(6) Uani 1 1 d . . . . .
H2BA H 0.0394 0.0456 0.4073 0.021 Uiso 1 1 calc R U . . .
H2BB H 0.0123 -0.0724 0.3761 0.021 Uiso 1 1 calc R U . . .
C3B C 0.08470(14) -0.0062(3) 0.31592(17) 0.0196(6) Uani 1 1 d . . . . .
H3BA H 0.0628 -0.0512 0.2744 0.023 Uiso 1 1 calc R U . . .
H3BB H 0.0827 0.0721 0.3012 0.023 Uiso 1 1 calc R U . . .
C3C C 0.57277(16) 0.4625(3) 0.13511(18) 0.0223(6) Uani 1 1 d . . . . .
H3CA H 0.5657 0.5427 0.1298 0.027 Uiso 1 1 calc R U . . .
H3CB H 0.5956 0.4356 0.0945 0.027 Uiso 1 1 calc R U . . .
C3A C 0.09642(15) 0.5595(3) 0.25233(16) 0.0169(6) Uani 1 1 d . . . . .
H3AA H 0.0696 0.5643 0.2029 0.020 Uiso 1 1 calc R U . . .
H3AB H 0.1439 0.5711 0.2481 0.020 Uiso 1 1 calc R U . . .
C4A C 0.06944(15) 0.6276(3) 0.44622(17) 0.0177(6) Uani 1 1 d . . . . .
H4AA H 0.0730 0.5718 0.4850 0.027 Uiso 1 1 calc R U . . .
H4AB H 0.0261 0.6642 0.4427 0.027 Uiso 1 1 calc R U . . .
H4AC H 0.1050 0.6819 0.4581 0.027 Uiso 1 1 calc R U . . .
C4B C 0.09614(14) -0.1077(3) 0.51326(15) 0.0147(5) Uani 1 1 d . . . . .
H4BA H 0.1361 -0.1435 0.5391 0.022 Uiso 1 1 calc R U . . .
H4BB H 0.0580 -0.1574 0.5118 0.022 Uiso 1 1 calc R U . . .
H4BC H 0.0875 -0.0402 0.5393 0.022 Uiso 1 1 calc R U . . .
C4C C 0.57533(15) 0.3615(3) 0.33058(17) 0.0170(6) Uani 1 1 d . . . . .
H4CA H 0.5354 0.3334 0.3484 0.026 Uiso 1 1 calc R U . . .
H4CB H 0.5908 0.4277 0.3582 0.026 Uiso 1 1 calc R U . . .
H4CC H 0.6103 0.3055 0.3376 0.026 Uiso 1 1 calc R U . . .
C5B C 0.20454(16) -0.0333(3) 0.28952(18) 0.0265(7) Uani 1 1 d . . . . .
H5BA H 0.2476 -0.0605 0.3140 0.040 Uiso 1 1 calc R U . . .
H5BB H 0.2090 0.0438 0.2757 0.040 Uiso 1 1 calc R U . . .
H5BC H 0.1902 -0.0770 0.2453 0.040 Uiso 1 1 calc R U . . .
C5C C 0.45633(17) 0.4111(3) 0.07210(17) 0.0245(7) Uani 1 1 d . . . . .
H5CA H 0.4174 0.3686 0.0809 0.037 Uiso 1 1 calc R U . . .
H5CB H 0.4734 0.3819 0.0288 0.037 Uiso 1 1 calc R U . . .
H5CC H 0.4436 0.4882 0.0635 0.037 Uiso 1 1 calc R U . . .
C5A C 0.10340(16) 0.3469(3) 0.25454(16) 0.0182(6) Uani 1 1 d . . . . .
H5AA H 0.0935 0.2850 0.2852 0.027 Uiso 1 1 calc R U . . .
H5AB H 0.1510 0.3469 0.2505 0.027 Uiso 1 1 calc R U . . .
H5AC H 0.0774 0.3400 0.2054 0.027 Uiso 1 1 calc R U . . .
C6C C 0.41831(13) 0.4300(2) 0.30964(16) 0.0120(5) Uani 1 1 d . . . . .
C6A C 0.16510(13) 0.4095(2) 0.49527(15) 0.0108(5) Uani 1 1 d . . . . .
C6B C 0.25587(13) -0.0378(2) 0.53723(15) 0.0126(5) Uani 1 1 d . . . . .
C7C C 0.43130(18) 0.5299(3) 0.42117(18) 0.0245(7) Uani 1 1 d . . . . .
H7CA H 0.4781 0.5402 0.4443 0.029 Uiso 1 1 calc R U . . .
H7CB H 0.4017 0.5388 0.4590 0.029 Uiso 1 1 calc R U . . .
C7B C 0.24373(17) 0.0430(3) 0.65231(18) 0.0227(6) Uani 1 1 d . . . . .
H7BA H 0.2751 0.0449 0.6990 0.027 Uiso 1 1 calc R U . . .
H7BB H 0.1976 0.0498 0.6633 0.027 Uiso 1 1 calc R U . . .
C7A C 0.27384(14) 0.4845(3) 0.52919(16) 0.0172(6) Uani 1 1 d . . . . .
H7AA H 0.2821 0.5600 0.5127 0.021 Uiso 1 1 calc R U . . .
H7AB H 0.3167 0.4449 0.5398 0.021 Uiso 1 1 calc R U . . .
C8C C 0.41255(16) 0.6105(3) 0.35707(19) 0.0224(7) Uani 1 1 d . . . . .
H8CA H 0.3676 0.6418 0.3574 0.027 Uiso 1 1 calc R U . . .
H8CB H 0.4453 0.6710 0.3585 0.027 Uiso 1 1 calc R U . . .
C8B C 0.25980(16) 0.1351(3) 0.59893(18) 0.0207(6) Uani 1 1 d . . . . .
H8BA H 0.2252 0.1931 0.5935 0.025 Uiso 1 1 calc R U . . .
H8BB H 0.3038 0.1688 0.6158 0.025 Uiso 1 1 calc R U . . .
C8A C 0.23662(15) 0.4854(3) 0.59717(17) 0.0192(6) Uani 1 1 d . . . . .
H8AA H 0.2577 0.4346 0.6358 0.023 Uiso 1 1 calc R U . . .
H8AB H 0.2355 0.5601 0.6182 0.023 Uiso 1 1 calc R U . . .
C9C C 0.43580(16) 0.3186(3) 0.42860(17) 0.0187(6) Uani 1 1 d . . . . .
H9CA H 0.4270 0.2543 0.3966 0.028 Uiso 1 1 calc R U . . .
H9CB H 0.4072 0.3161 0.4671 0.028 Uiso 1 1 calc R U . . .
H9CC H 0.4826 0.3184 0.4513 0.028 Uiso 1 1 calc R U . . .
C9B C 0.23967(17) -0.1681(3) 0.64151(17) 0.0206(6) Uani 1 1 d . . . . .
H9BA H 0.2475 -0.2261 0.6069 0.031 Uiso 1 1 calc R U . . .
H9BB H 0.1934 -0.1715 0.6507 0.031 Uiso 1 1 calc R U . . .
H9BC H 0.2697 -0.1782 0.6879 0.031 Uiso 1 1 calc R U . . .
C9A C 0.24218(14) 0.4053(3) 0.39821(16) 0.0167(6) Uani 1 1 d . . . . .
H9AA H 0.2056 0.3654 0.3689 0.025 Uiso 1 1 calc R U . . .
H9AB H 0.2831 0.3618 0.4015 0.025 Uiso 1 1 calc R U . . .
H9AC H 0.2487 0.4759 0.3747 0.025 Uiso 1 1 calc R U . . .
C10B C 0.26744(18) 0.1315(3) 0.4604(2) 0.0253(7) Uani 1 1 d . . . . .
H10A H 0.2663 0.0789 0.4199 0.038 Uiso 1 1 calc R U . . .
H10B H 0.3101 0.1705 0.4671 0.038 Uiso 1 1 calc R U . . .
H10C H 0.2311 0.1844 0.4489 0.038 Uiso 1 1 calc R U . . .
C10C C 0.41214(16) 0.5861(3) 0.21789(19) 0.0220(6) Uani 1 1 d . . . . .
H10D H 0.4137 0.5276 0.1816 0.033 Uiso 1 1 calc R U . . .
H10E H 0.4503 0.6352 0.2176 0.033 Uiso 1 1 calc R U . . .
H10F H 0.3708 0.6280 0.2054 0.033 Uiso 1 1 calc R U . . .
C10A C 0.11433(15) 0.4453(3) 0.61151(16) 0.0207(6) Uani 1 1 d . . . . .
H10G H 0.0734 0.4183 0.5820 0.031 Uiso 1 1 calc R U . . .
H10H H 0.1069 0.5196 0.6290 0.031 Uiso 1 1 calc R U . . .
H10I H 0.1268 0.3966 0.6537 0.031 Uiso 1 1 calc R U . . .
N1A N 0.07572(12) 0.5747(2) 0.37503(13) 0.0135(4) Uani 1 1 d . . . . .
N1C N 0.55938(12) 0.3883(2) 0.25167(13) 0.0145(5) Uani 1 1 d . . . . .
N1B N 0.10643(11) -0.0805(2) 0.43724(13) 0.0132(4) Uani 1 1 d . . . . .
N2C N 0.50839(13) 0.4032(2) 0.13671(13) 0.0168(5) Uani 1 1 d . . . . .
N2A N 0.08586(12) 0.4514(2) 0.28874(13) 0.0138(5) Uani 1 1 d . . . . .
N2B N 0.15483(12) -0.0424(2) 0.33993(14) 0.0197(5) Uani 1 1 d . . . . .
N3A N 0.16837(12) 0.4474(2) 0.56591(13) 0.0170(5) Uani 1 1 d . . . . .
N3B N 0.25231(13) -0.0597(2) 0.60983(13) 0.0165(5) Uani 1 1 d . . . . .
N3C N 0.42156(12) 0.4200(2) 0.38438(14) 0.0157(5) Uani 1 1 d . . . . .
N4C N 0.41438(13) 0.5375(2) 0.29145(15) 0.0170(5) Uani 1 1 d . . . . .
N4B N 0.25970(13) 0.0725(2) 0.52859(14) 0.0174(5) Uani 1 1 d . . . . .
N4A N 0.22579(11) 0.4246(2) 0.47307(13) 0.0139(5) Uani 1 1 d . . . . .
Cl1C Cl 0.31738(3) 0.23068(6) 0.27379(4) 0.01510(12) Uani 1 1 d . . . . .
Cl1B Cl 0.35934(3) -0.22037(6) 0.51112(4) 0.01623(13) Uani 1 1 d . . . . .
Cl1A Cl 0.08758(3) 0.19579(6) 0.52426(4) 0.01541(13) Uani 1 1 d . . . . .
Cl2A Cl -0.01840(3) 0.27342(6) 0.36624(4) 0.01487(12) Uani 1 1 d . . . . .
Cl2C Cl 0.41612(3) 0.15814(6) 0.14857(4) 0.01557(13) Uani 1 1 d . . . . .
Cl2B Cl 0.24227(4) -0.28932(7) 0.36244(4) 0.02059(15) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A C1A 1.967(3) . ?
Pt1A C6A 1.971(3) . ?
Pt1A Cl2A 2.3734(7) . ?
Pt1A Cl1A 2.3770(7) . ?
Pt1B C6B 1.962(3) . ?
Pt1B C1B 1.971(3) . ?
Pt1B Cl2B 2.3683(7) . ?
Pt1B Cl1B 2.3694(7) . ?
Pt1C C6C 1.979(3) . ?
Pt1C C1C 1.981(3) . ?
Pt1C Cl2C 2.3687(7) . ?
Pt1C Cl1C 2.3740(7) . ?
C1C N1C 1.328(4) . ?
C1C N2C 1.345(3) . ?
C1B N1B 1.332(3) . ?
C1B N2B 1.343(4) . ?
C1A N1A 1.330(4) . ?
C1A N2A 1.339(3) . ?
C2C N1C 1.473(4) . ?
C2C C3C 1.523(5) . ?
C2A N1A 1.468(4) . ?
C2A C3A 1.529(4) . ?
C2B N1B 1.466(4) . ?
C2B C3B 1.525(4) . ?
C3B N2B 1.464(4) . ?
C3C N2C 1.468(4) . ?
C3A N2A 1.475(4) . ?
C4A N1A 1.451(4) . ?
C4B N1B 1.451(3) . ?
C4C N1C 1.445(4) . ?
C5B N2B 1.443(4) . ?
C5C N2C 1.442(4) . ?
C5A N2A 1.456(4) . ?
C6C N4C 1.323(4) . ?
C6C N3C 1.343(3) . ?
C6A N4A 1.340(3) . ?
C6A N3A 1.343(3) . ?
C6B N4B 1.328(4) . ?
C6B N3B 1.346(4) . ?
C7C N3C 1.469(4) . ?
C7C C8C 1.507(5) . ?
C7B N3B 1.469(4) . ?
C7B C8B 1.525(5) . ?
C7A N4A 1.469(4) . ?
C7A C8A 1.522(4) . ?
C8C N4C 1.473(4) . ?
C8B N4B 1.471(4) . ?
C8A N3A 1.463(4) . ?
C9C N3C 1.453(4) . ?
C9B N3B 1.450(4) . ?
C9A N4A 1.452(4) . ?
C10B N4B 1.444(4) . ?
C10C N4C 1.441(4) . ?
C10A N3A 1.447(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1A Pt1A C6A 90.51(11) . . ?
C1A Pt1A Cl2A 88.64(8) . . ?
C6A Pt1A Cl2A 177.32(8) . . ?
C1A Pt1A Cl1A 178.49(8) . . ?
C6A Pt1A Cl1A 89.17(8) . . ?
Cl2A Pt1A Cl1A 91.75(2) . . ?
C6B Pt1B C1B 89.95(11) . . ?
C6B Pt1B Cl2B 177.53(8) . . ?
C1B Pt1B Cl2B 88.90(8) . . ?
C6B Pt1B Cl1B 90.22(8) . . ?
C1B Pt1B Cl1B 177.00(8) . . ?
Cl2B Pt1B Cl1B 91.04(3) . . ?
C6C Pt1C C1C 88.41(11) . . ?
C6C Pt1C Cl2C 178.67(8) . . ?
C1C Pt1C Cl2C 91.73(8) . . ?
C6C Pt1C Cl1C 91.05(8) . . ?
C1C Pt1C Cl1C 179.09(8) . . ?
Cl2C Pt1C Cl1C 88.80(2) . . ?
N1C C1C N2C 108.8(2) . . ?
N1C C1C Pt1C 125.5(2) . . ?
N2C C1C Pt1C 125.7(2) . . ?
N1B C1B N2B 108.4(2) . . ?
N1B C1B Pt1B 127.8(2) . . ?
N2B C1B Pt1B 123.8(2) . . ?
N1A C1A N2A 108.8(2) . . ?
N1A C1A Pt1A 126.1(2) . . ?
N2A C1A Pt1A 125.1(2) . . ?
N1C C2C C3C 102.0(2) . . ?
N1A C2A C3A 101.1(2) . . ?
N1B C2B C3B 102.8(2) . . ?
N2B C3B C2B 102.4(2) . . ?
N2C C3C C2C 102.3(2) . . ?
N2A C3A C2A 101.8(2) . . ?
N4C C6C N3C 109.0(3) . . ?
N4C C6C Pt1C 124.9(2) . . ?
N3C C6C Pt1C 126.0(2) . . ?
N4A C6A N3A 108.5(2) . . ?
N4A C6A Pt1A 126.9(2) . . ?
N3A C6A Pt1A 124.5(2) . . ?
N4B C6B N3B 108.6(3) . . ?
N4B C6B Pt1B 126.1(2) . . ?
N3B C6B Pt1B 125.2(2) . . ?
N3C C7C C8C 102.9(2) . . ?
N3B C7B C8B 102.8(2) . . ?
N4A C7A C8A 102.2(2) . . ?
N4C C8C C7C 101.8(2) . . ?
N4B C8B C7B 101.7(2) . . ?
N3A C8A C7A 102.9(2) . . ?
C1A N1A C4A 127.4(2) . . ?
C1A N1A C2A 112.8(2) . . ?
C4A N1A C2A 119.8(2) . . ?
C1C N1C C4C 127.6(2) . . ?
C1C N1C C2C 112.5(2) . . ?
C4C N1C C2C 119.7(2) . . ?
C1B N1B C4B 126.7(2) . . ?
C1B N1B C2B 113.0(2) . . ?
C4B N1B C2B 119.7(2) . . ?
C1C N2C C5C 127.8(2) . . ?
C1C N2C C3C 111.9(2) . . ?
C5C N2C C3C 118.5(2) . . ?
C1A N2A C5A 125.3(2) . . ?
C1A N2A C3A 111.0(2) . . ?
C5A N2A C3A 120.1(2) . . ?
C1B N2B C5B 126.6(2) . . ?
C1B N2B C3B 113.0(2) . . ?
C5B N2B C3B 120.3(2) . . ?
C6A N3A C10A 126.6(2) . . ?
C6A N3A C8A 112.4(2) . . ?
C10A N3A C8A 120.9(2) . . ?
C6B N3B C9B 126.4(3) . . ?
C6B N3B C7B 111.7(3) . . ?
C9B N3B C7B 119.9(2) . . ?
C6C N3C C9C 126.8(2) . . ?
C6C N3C C7C 110.9(3) . . ?
C9C N3C C7C 119.6(2) . . ?
C6C N4C C10C 127.6(3) . . ?
C6C N4C C8C 112.5(3) . . ?
C10C N4C C8C 119.9(3) . . ?
C6B N4B C10B 126.8(3) . . ?
C6B N4B C8B 113.3(3) . . ?
C10B N4B C8B 119.8(3) . . ?
C6A N4A C9A 126.3(2) . . ?
C6A N4A C7A 112.6(2) . . ?
C9A N4A C7A 120.2(2) . . ?


_shelxl_version_number           2013-4

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile'
_database_code_depnum_ccdc_archive 'CCDC 1010049'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_try

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H32 Cl4 N4 Pt2'
_chemical_formula_weight         836.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.568(3)
_cell_length_b                   14.159(3)
_cell_length_c                   12.365(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.771(10)
_cell_angle_gamma                90
_cell_volume                     2363.4(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9187
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      30.53

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.351
_exptl_crystal_F_000             1568
_exptl_transmission_factor_min   0.084
_exptl_transmission_factor_max   0.373
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    12.290
_shelx_estimated_absorpt_T_min   0.084
_shelx_estimated_absorpt_T_max   0.373
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.084
_exptl_absorpt_correction_T_max  0.373
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            194137
_diffrn_reflns_av_unetI/netI     0.0145
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.499
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7209
_reflns_number_gt                6877
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²+8.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7209
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0184
_refine_ls_wR_factor_ref         0.0527
_refine_ls_wR_factor_gt          0.0519
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.272
_refine_diff_density_min         -1.246
_refine_diff_density_rms         0.127

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 0.25642(2) 0.21267(2) 0.84717(2) 0.00873(3) Uani 1 1 d . . . . .
Pt2 Pt 0.24961(2) -0.37117(2) 0.74277(2) 0.00860(3) Uani 1 1 d . . . . .
C1 C 0.1522(2) 0.2979(2) 0.8853(2) 0.0106(5) Uani 1 1 d . . . . .
C2 C 0.0033(2) 0.3812(2) 0.8825(3) 0.0200(6) Uani 1 1 d . . . . .
H2A H -0.0562 0.3484 0.8990 0.024 Uiso 1 1 calc R U . . .
H2B H -0.0152 0.4373 0.8402 0.024 Uiso 1 1 calc R U . . .
C3 C 0.0694(2) 0.4058(2) 0.9863(3) 0.0170(6) Uani 1 1 d . . . . .
H3A H 0.0896 0.4715 0.9865 0.020 Uiso 1 1 calc R U . . .
H3B H 0.0361 0.3932 1.0506 0.020 Uiso 1 1 calc R U . . .
C4 C 0.0349(3) 0.2872(2) 0.7166(3) 0.0200(6) Uani 1 1 d . . . . .
H4A H 0.0850 0.2476 0.6909 0.030 Uiso 1 1 calc R U . . .
H4B H 0.0235 0.3406 0.6692 0.030 Uiso 1 1 calc R U . . .
H4C H -0.0254 0.2518 0.7176 0.030 Uiso 1 1 calc R U . . .
C5 C 0.2374(3) 0.3507(3) 1.0626(3) 0.0207(6) Uani 1 1 d . . . . .
H5A H 0.2870 0.3053 1.0483 0.031 Uiso 1 1 calc R U . . .
H5B H 0.2157 0.3389 1.1329 0.031 Uiso 1 1 calc R U . . .
H5C H 0.2648 0.4132 1.0611 0.031 Uiso 1 1 calc R U . . .
C6 C 0.3521(2) -0.2785(2) 0.8038(2) 0.0115(5) Uani 1 1 d . . . . .
C7 C 0.4387(2) -0.1397(2) 0.8395(3) 0.0180(6) Uani 1 1 d . . . . .
H7A H 0.4202 -0.0957 0.8941 0.022 Uiso 1 1 calc R U . . .
H7B H 0.4754 -0.1063 0.7881 0.022 Uiso 1 1 calc R U . . .
C8 C 0.4990(2) -0.2225(2) 0.8917(3) 0.0188(6) Uani 1 1 d . . . . .
H8A H 0.5601 -0.2315 0.8585 0.023 Uiso 1 1 calc R U . . .
H8B H 0.5144 -0.2131 0.9693 0.023 Uiso 1 1 calc R U . . .
C9 C 0.2763(2) -0.1322(2) 0.7199(3) 0.0189(6) Uani 1 1 d . . . . .
H9A H 0.2247 -0.1737 0.6899 0.028 Uiso 1 1 calc R U . . .
H9B H 0.3056 -0.1010 0.6620 0.028 Uiso 1 1 calc R U . . .
H9C H 0.2489 -0.0859 0.7651 0.028 Uiso 1 1 calc R U . . .
C10 C 0.4591(2) -0.3971(2) 0.9060(3) 0.0183(6) Uani 1 1 d . . . . .
H10A H 0.4062 -0.4402 0.8841 0.027 Uiso 1 1 calc R U . . .
H10B H 0.4717 -0.3974 0.9838 0.027 Uiso 1 1 calc R U . . .
H10C H 0.5178 -0.4163 0.8745 0.027 Uiso 1 1 calc R U . . .
C11 C 0.3457(2) -0.4127(2) 0.6215(3) 0.0170(6) Uani 1 1 d . . . . .
H11A H 0.4135 -0.3885 0.6343 0.020 Uiso 1 1 calc R U . . .
C12 C 0.3387(3) -0.5186(3) 0.6087(3) 0.0224(7) Uani 1 1 d . . . . .
H12A H 0.3827 -0.5476 0.6660 0.027 Uiso 1 1 calc R U . . .
H12B H 0.3625 -0.5356 0.5399 0.027 Uiso 1 1 calc R U . . .
C13 C 0.2349(3) -0.5605(2) 0.6122(3) 0.0203(6) Uani 1 1 d . . . . .
H13A H 0.2001 -0.5584 0.5398 0.024 Uiso 1 1 calc R U . . .
H13B H 0.2411 -0.6263 0.6339 0.024 Uiso 1 1 calc R U . . .
C14 C 0.1749(2) -0.5089(2) 0.6896(3) 0.0156(6) Uani 1 1 d . . . . .
H14A H 0.1565 -0.5479 0.7499 0.019 Uiso 1 1 calc R U . . .
C15 C 0.1094(2) -0.4363(2) 0.6615(3) 0.0157(6) Uani 1 1 d . . . . .
H15A H 0.0525 -0.4335 0.7044 0.019 Uiso 1 1 calc R U . . .
C16 C 0.0926(2) -0.3910(2) 0.5513(3) 0.0197(6) Uani 1 1 d . . . . .
H16A H 0.0602 -0.3306 0.5586 0.024 Uiso 1 1 calc R U . . .
H16B H 0.0480 -0.4305 0.5047 0.024 Uiso 1 1 calc R U . . .
C17 C 0.1877(3) -0.3751(2) 0.4960(3) 0.0182(6) Uani 1 1 d . . . . .
H17A H 0.2035 -0.4327 0.4590 0.022 Uiso 1 1 calc R U . . .
H17B H 0.1756 -0.3261 0.4415 0.022 Uiso 1 1 calc R U . . .
C18 C 0.2761(2) -0.3470(2) 0.5742(2) 0.0147(5) Uani 1 1 d . . . . .
H18A H 0.3038 -0.2848 0.5601 0.018 Uiso 1 1 calc R U . . .
N1 N 0.06736(19) 0.31951(19) 0.8255(2) 0.0143(5) Uani 1 1 d . . . . .
N2 N 0.1540(2) 0.3429(2) 0.9803(2) 0.0161(5) Uani 1 1 d . . . . .
N3 N 0.35152(19) -0.1866(2) 0.7846(2) 0.0170(5) Uani 1 1 d . . . . .
N4 N 0.43120(19) -0.30268(19) 0.8691(2) 0.0149(5) Uani 1 1 d . . . . .
Cl1 Cl 0.36609(5) 0.33754(5) 0.85045(6) 0.01602(13) Uani 1 1 d . . . . .
Cl2 Cl 0.38614(5) 0.10673(6) 0.81649(7) 0.01924(14) Uani 1 1 d . . . . .
Cl3 Cl 0.14300(5) 0.08942(5) 0.83050(6) 0.01418(12) Uani 1 1 d . . . . .
Cl4 Cl 0.18422(6) -0.37025(5) 0.90876(6) 0.01677(14) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.953(3) . ?
Pt1 Cl1 2.3085(8) . ?
Pt1 Cl3 2.3222(8) . ?
Pt1 Cl2 2.3720(8) . ?
Pt2 C6 2.003(3) . ?
Pt2 C11 2.165(3) . ?
Pt2 C18 2.178(3) . ?
Pt2 C15 2.257(3) . ?
Pt2 C14 2.265(3) . ?
Pt2 Cl4 2.3165(8) . ?
C1 N2 1.334(4) . ?
C1 N1 1.340(4) . ?
C2 N1 1.462(4) . ?
C2 C3 1.530(5) . ?
C3 N2 1.460(4) . ?
C4 N1 1.448(4) . ?
C5 N2 1.448(4) . ?
C6 N4 1.322(4) . ?
C6 N3 1.323(4) . ?
C7 N3 1.462(4) . ?
C7 C8 1.534(5) . ?
C8 N4 1.470(4) . ?
C9 N3 1.453(4) . ?
C10 N4 1.451(4) . ?
C11 C18 1.410(4) . ?
C11 C12 1.509(5) . ?
C12 C13 1.532(5) . ?
C13 C14 1.507(5) . ?
C14 C15 1.380(4) . ?
C15 C16 1.503(5) . ?
C16 C17 1.537(5) . ?
C17 C18 1.517(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 Cl1 90.19(9) . . ?
C1 Pt1 Cl3 89.81(9) . . ?
Cl1 Pt1 Cl3 175.81(3) . . ?
C1 Pt1 Cl2 175.24(9) . . ?
Cl1 Pt1 Cl2 89.99(3) . . ?
Cl3 Pt1 Cl2 90.36(3) . . ?
C6 Pt2 C11 89.73(12) . . ?
C6 Pt2 C18 94.71(12) . . ?
C11 Pt2 C18 37.91(12) . . ?
C6 Pt2 C15 163.20(12) . . ?
C11 Pt2 C15 96.89(12) . . ?
C18 Pt2 C15 81.45(12) . . ?
C6 Pt2 C14 161.24(12) . . ?
C11 Pt2 C14 81.26(13) . . ?
C18 Pt2 C14 88.26(12) . . ?
C15 Pt2 C14 35.52(11) . . ?
C6 Pt2 Cl4 88.62(9) . . ?
C11 Pt2 Cl4 157.83(9) . . ?
C18 Pt2 Cl4 164.16(9) . . ?
C15 Pt2 Cl4 90.91(9) . . ?
C14 Pt2 Cl4 93.55(9) . . ?
N2 C1 N1 108.4(3) . . ?
N2 C1 Pt1 124.0(2) . . ?
N1 C1 Pt1 127.6(2) . . ?
N1 C2 C3 102.4(2) . . ?
N2 C3 C2 102.5(3) . . ?
N4 C6 N3 110.7(3) . . ?
N4 C6 Pt2 123.4(2) . . ?
N3 C6 Pt2 125.9(2) . . ?
N3 C7 C8 102.8(2) . . ?
N4 C8 C7 102.3(2) . . ?
C18 C11 C12 125.4(3) . . ?
C18 C11 Pt2 71.55(18) . . ?
C12 C11 Pt2 107.9(2) . . ?
C11 C12 C13 115.5(3) . . ?
C14 C13 C12 112.8(3) . . ?
C15 C14 C13 125.3(3) . . ?
C15 C14 Pt2 71.93(17) . . ?
C13 C14 Pt2 110.3(2) . . ?
C14 C15 C16 125.5(3) . . ?
C14 C15 Pt2 72.54(17) . . ?
C16 C15 Pt2 105.9(2) . . ?
C15 C16 C17 114.1(3) . . ?
C18 C17 C16 113.6(3) . . ?
C11 C18 C17 123.0(3) . . ?
C11 C18 Pt2 70.54(18) . . ?
C17 C18 Pt2 111.9(2) . . ?
C1 N1 C4 127.3(3) . . ?
C1 N1 C2 112.9(3) . . ?
C4 N1 C2 119.8(3) . . ?
C1 N2 C5 126.7(3) . . ?
C1 N2 C3 113.0(3) . . ?
C5 N2 C3 118.7(3) . . ?
C6 N3 C9 127.7(3) . . ?
C6 N3 C7 111.9(3) . . ?
C9 N3 C7 120.4(3) . . ?
C6 N4 C10 126.9(3) . . ?
C6 N4 C8 111.8(3) . . ?
C10 N4 C8 120.9(3) . . ?


_shelxl_version_number           2013-4
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and pentane'
_database_code_depnum_ccdc_archive 'CCDC 1010050'
