#------------------------------------------------------------------------------
#$Date: 2015-06-01 11:16:52 +0300 (Mon, 01 Jun 2015) $
#$Revision: 137605 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117241.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7117241
loop_
_publ_author_name
'Christopher J. Adams'
'Matteo Lusi'
'Emily M. Mutambi'
'A. Guy Orpen'
_publ_section_title
;
 Two-step solid-state synthesis of PEPPSI-type compounds
;
_journal_name_full               Chem.Commun.
_journal_page_first              9632
_journal_paper_doi               10.1039/C5cc02924D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C21 H25 N2, C5 H5 Cl3 N Pt'
_chemical_formula_sum            'C26 H30 Cl3 N3 Pt'
_chemical_formula_weight         685.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-08 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.0384(12)
_cell_length_b                   9.1217(3)
_cell_length_c                   16.6331(6)
_cell_measurement_reflns_used    9154
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.86
_cell_measurement_theta_min      2.45
_cell_volume                     5316.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            57383
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    5.600
_exptl_absorpt_correction_T_max  0.320
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         3.481
_refine_diff_density_min         -1.792
_refine_diff_density_rms         0.189
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.475(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         12206
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0607P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                10610
_reflns_number_total             12206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc02924d2.cif
_cod_data_source_block           4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_database_code               7117241
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
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 0.357490(8) 0.42159(3) 0.105988(16) 0.02729(8) Uani 1 1 d . . .
Pt2 Pt 0.362898(8) 0.04145(3) 0.617631(17) 0.02964(8) Uani 1 1 d . . .
Cl1 Cl 0.29760(6) 0.3937(3) 0.05158(13) 0.0479(6) Uani 1 1 d . . .
Cl2 Cl 0.38094(6) 0.4860(3) -0.01794(11) 0.0417(5) Uani 1 1 d . . .
Cl3 Cl 0.41856(5) 0.4433(3) 0.15496(11) 0.0387(5) Uani 1 1 d . . .
Cl4 Cl 0.30445(6) -0.0135(3) 0.56428(13) 0.0566(7) Uani 1 1 d . . .
Cl5 Cl 0.39119(6) 0.0078(3) 0.49430(12) 0.0435(5) Uani 1 1 d . . .
Cl6 Cl 0.42210(6) 0.0944(3) 0.66993(13) 0.0559(7) Uani 1 1 d . . .
N1 N 0.33783(18) 0.3656(8) 0.2167(4) 0.0321(15) Uani 1 1 d . . .
N2 N 0.33982(17) 0.0733(8) 0.7281(4) 0.0299(14) Uani 1 1 d . . .
N3 N 0.37163(17) 0.5588(7) 0.6053(4) 0.0319(14) Uani 1 1 d . . .
N4 N 0.42121(19) 0.5879(8) 0.5319(4) 0.0314(15) Uani 1 1 d . . .
N5 N 0.37310(17) 0.8956(7) 0.1140(4) 0.0270(13) Uani 1 1 d . . .
N6 N 0.42210(18) 0.8964(7) 0.0375(4) 0.0282(14) Uani 1 1 d . . .
C1 C 0.3034(3) 0.4151(11) 0.2443(5) 0.046(2) Uani 1 1 d . . .
H1 H 0.2882 0.4767 0.2111 0.055 Uiso 1 1 calc R . .
C2 C 0.2905(3) 0.3766(13) 0.3195(6) 0.060(3) Uani 1 1 d . . .
H2 H 0.2670 0.4152 0.3383 0.072 Uiso 1 1 calc R . .
C3 C 0.3111(3) 0.2832(12) 0.3682(5) 0.051(3) Uani 1 1 d . . .
H3 H 0.3016 0.2549 0.4194 0.062 Uiso 1 1 calc R . .
C4 C 0.3453(3) 0.2326(11) 0.3412(5) 0.045(2) Uani 1 1 d . . .
H4 H 0.3603 0.1689 0.3734 0.054 Uiso 1 1 calc R . .
C5 C 0.3578(3) 0.2763(10) 0.2650(5) 0.040(2) Uani 1 1 d . . .
H5 H 0.3818 0.2409 0.2466 0.048 Uiso 1 1 calc R . .
C6 C 0.3485(2) 0.1903(10) 0.7723(5) 0.0346(19) Uani 1 1 d . . .
H6 H 0.3653 0.2616 0.7504 0.042 Uiso 1 1 calc R . .
C7 C 0.3339(3) 0.2125(10) 0.8497(5) 0.038(2) Uani 1 1 d . . .
H7 H 0.3413 0.2962 0.8800 0.045 Uiso 1 1 calc R . .
C8 C 0.3091(2) 0.1129(11) 0.8811(6) 0.045(2) Uani 1 1 d . . .
H8 H 0.2988 0.1256 0.9335 0.054 Uiso 1 1 calc R . .
C9 C 0.2992(3) -0.0079(11) 0.8347(5) 0.047(2) Uani 1 1 d . . .
H9 H 0.2816 -0.0787 0.8544 0.056 Uiso 1 1 calc R . .
C10 C 0.3151(2) -0.0231(11) 0.7603(5) 0.039(2) Uani 1 1 d . . .
H10 H 0.3083 -0.1067 0.7294 0.046 Uiso 1 1 calc R . .
C11 C 0.3943(2) 0.6595(9) 0.5723(4) 0.0290(17) Uani 1 1 d . . .
H11 H 0.3918 0.7629 0.5769 0.035 Uiso 1 1 calc R . .
C12 C 0.3845(3) 0.4230(10) 0.5869(5) 0.045(2) Uani 1 1 d . . .
H12 H 0.3736 0.3326 0.6035 0.054 Uiso 1 1 calc R . .
C13 C 0.4156(3) 0.4397(11) 0.5412(5) 0.045(2) Uani 1 1 d . . .
H13 H 0.4308 0.3635 0.5192 0.055 Uiso 1 1 calc R . .
C14 C 0.3416(2) 0.5835(10) 0.6660(5) 0.0331(17) Uani 1 1 d . . .
C15 C 0.3533(3) 0.5978(10) 0.7459(5) 0.039(2) Uani 1 1 d . . .
C16 C 0.3249(3) 0.6061(10) 0.8048(5) 0.043(2) Uani 1 1 d . . .
H16 H 0.3318 0.6133 0.8598 0.052 Uiso 1 1 calc R . .
C17 C 0.2858(3) 0.6037(11) 0.7830(5) 0.044(2) Uani 1 1 d . . .
C18 C 0.2768(2) 0.5933(13) 0.7034(6) 0.052(3) Uani 1 1 d . . .
H18 H 0.2505 0.5937 0.6889 0.063 Uiso 1 1 calc R . .
C19 C 0.3040(3) 0.5822(13) 0.6415(6) 0.050(2) Uani 1 1 d . . .
C20 C 0.3947(3) 0.5960(13) 0.7691(5) 0.052(3) Uani 1 1 d . . .
H20A H 0.4074 0.6825 0.7466 0.078 Uiso 1 1 calc R . .
H20B H 0.4068 0.5070 0.7479 0.078 Uiso 1 1 calc R . .
H20C H 0.3970 0.5974 0.8278 0.078 Uiso 1 1 calc R . .
C21 C 0.2565(3) 0.6058(14) 0.8492(7) 0.063(3) Uani 1 1 d . . .
H21A H 0.2624 0.5286 0.8883 0.095 Uiso 1 1 calc R . .
H21B H 0.2311 0.5888 0.8264 0.095 Uiso 1 1 calc R . .
H21C H 0.2570 0.7014 0.8761 0.095 Uiso 1 1 calc R . .
C22 C 0.2935(3) 0.5752(16) 0.5541(5) 0.065(3) Uani 1 1 d . . .
H22A H 0.3054 0.4887 0.5296 0.097 Uiso 1 1 calc R . .
H22B H 0.3026 0.6637 0.5268 0.097 Uiso 1 1 calc R . .
H22C H 0.2657 0.5685 0.5487 0.097 Uiso 1 1 calc R . .
C23 C 0.4509(2) 0.6552(9) 0.4834(5) 0.0289(17) Uani 1 1 d . . .
C24 C 0.4794(2) 0.7363(10) 0.5214(5) 0.0344(19) Uani 1 1 d . . .
C25 C 0.5070(2) 0.7987(11) 0.4719(5) 0.040(2) Uani 1 1 d . . .
H25 H 0.5263 0.8577 0.4954 0.048 Uiso 1 1 calc R . .
C26 C 0.5070(2) 0.7776(9) 0.3900(5) 0.0365(18) Uani 1 1 d . . .
C27 C 0.4782(2) 0.6924(11) 0.3551(5) 0.037(2) Uani 1 1 d . . .
H27 H 0.4782 0.6762 0.2987 0.045 Uiso 1 1 calc R . .
C28 C 0.4498(2) 0.6319(9) 0.4017(5) 0.0331(18) Uani 1 1 d . . .
C29 C 0.4798(3) 0.7603(13) 0.6113(5) 0.056(3) Uani 1 1 d . . .
H29A H 0.4570 0.8156 0.6271 0.085 Uiso 1 1 calc R . .
H29B H 0.5027 0.8155 0.6263 0.085 Uiso 1 1 calc R . .
H29C H 0.4799 0.6652 0.6388 0.085 Uiso 1 1 calc R . .
C30 C 0.4180(3) 0.5442(12) 0.3627(5) 0.054(3) Uani 1 1 d . . .
H30A H 0.4183 0.4438 0.3837 0.081 Uiso 1 1 calc R . .
H30B H 0.4219 0.5421 0.3044 0.081 Uiso 1 1 calc R . .
H30C H 0.3934 0.5900 0.3749 0.081 Uiso 1 1 calc R . .
C31 C 0.5380(2) 0.8465(12) 0.3379(6) 0.048(2) Uani 1 1 d . . .
H31A H 0.5617 0.8544 0.3690 0.072 Uiso 1 1 calc R . .
H31B H 0.5299 0.9445 0.3208 0.072 Uiso 1 1 calc R . .
H31C H 0.5424 0.7850 0.2905 0.072 Uiso 1 1 calc R . .
C32 C 0.3992(2) 0.8106(9) 0.0797(4) 0.0278(16) Uani 1 1 d . . .
H32 H 0.4010 0.7071 0.0846 0.033 Uiso 1 1 calc R . .
C33 C 0.3795(2) 1.0373(10) 0.0931(5) 0.039(2) Uani 1 1 d . . .
H33 H 0.3651 1.1202 0.1098 0.047 Uiso 1 1 calc R . .
C34 C 0.4103(2) 1.0377(11) 0.0440(5) 0.041(2) Uani 1 1 d . . .
H34 H 0.4215 1.1208 0.0190 0.049 Uiso 1 1 calc R . .
C35 C 0.34466(19) 0.8493(9) 0.1727(5) 0.0258(16) Uani 1 1 d . . .
C36 C 0.3552(3) 0.8515(9) 0.2538(5) 0.0364(19) Uani 1 1 d . . .
C37 C 0.3277(3) 0.8216(10) 0.3104(5) 0.042(2) Uani 1 1 d . . .
H37 H 0.3342 0.8242 0.3658 0.050 Uiso 1 1 calc R . .
C38 C 0.2896(3) 0.7869(12) 0.2872(6) 0.047(2) Uani 1 1 d . . .
C39 C 0.2817(2) 0.7797(12) 0.2077(6) 0.050(3) Uani 1 1 d . . .
H39 H 0.2566 0.7521 0.1919 0.060 Uiso 1 1 calc R . .
C40 C 0.3083(2) 0.8107(11) 0.1472(5) 0.040(2) Uani 1 1 d . . .
C41 C 0.3957(3) 0.8905(11) 0.2774(5) 0.047(2) Uani 1 1 d . . .
H41A H 0.3976 0.8955 0.3361 0.071 Uiso 1 1 calc R . .
H41B H 0.4025 0.9858 0.2542 0.071 Uiso 1 1 calc R . .
H41C H 0.4132 0.8154 0.2571 0.071 Uiso 1 1 calc R . .
C42 C 0.2609(3) 0.7528(13) 0.3510(7) 0.068(3) Uani 1 1 d . . .
H42A H 0.2658 0.6547 0.3728 0.102 Uiso 1 1 calc R . .
H42B H 0.2352 0.7559 0.3278 0.102 Uiso 1 1 calc R . .
H42C H 0.2628 0.8254 0.3943 0.102 Uiso 1 1 calc R . .
C43 C 0.2988(3) 0.8070(12) 0.0600(5) 0.049(2) Uani 1 1 d . . .
H43A H 0.3069 0.7130 0.0371 0.073 Uiso 1 1 calc R . .
H43B H 0.3120 0.8872 0.0324 0.073 Uiso 1 1 calc R . .
H43C H 0.2712 0.8183 0.0531 0.073 Uiso 1 1 calc R . .
C44 C 0.4533(2) 0.8406(10) -0.0117(5) 0.0318(18) Uani 1 1 d . . .
C45 C 0.4838(2) 0.7721(9) 0.0253(5) 0.0323(18) Uani 1 1 d . . .
C46 C 0.5116(2) 0.7145(10) -0.0256(5) 0.0354(19) Uani 1 1 d . . .
H46 H 0.5329 0.6656 -0.0022 0.042 Uiso 1 1 calc R . .
C47 C 0.5100(2) 0.7246(10) -0.1076(5) 0.042(2) Uani 1 1 d . . .
C48 C 0.4796(2) 0.8011(11) -0.1419(5) 0.040(2) Uani 1 1 d . . .
H48 H 0.4789 0.8145 -0.1985 0.048 Uiso 1 1 calc R . .
C49 C 0.4500(2) 0.8586(10) -0.0945(5) 0.040(2) Uani 1 1 d . . .
C50 C 0.4874(2) 0.7577(11) 0.1150(5) 0.048(2) Uani 1 1 d . . .
H50A H 0.4711 0.6771 0.1337 0.072 Uiso 1 1 calc R . .
H50B H 0.4793 0.8493 0.1406 0.072 Uiso 1 1 calc R . .
H50C H 0.5140 0.7373 0.1291 0.072 Uiso 1 1 calc R . .
C51 C 0.5401(3) 0.6560(13) -0.1606(6) 0.054(3) Uani 1 1 d . . .
H51A H 0.5338 0.5528 -0.1700 0.081 Uiso 1 1 calc R . .
H51B H 0.5650 0.6626 -0.1340 0.081 Uiso 1 1 calc R . .
H51C H 0.5411 0.7081 -0.2121 0.081 Uiso 1 1 calc R . .
C52 C 0.4165(3) 0.9350(14) -0.1326(5) 0.066(3) Uani 1 1 d . . .
H52A H 0.4188 0.9304 -0.1913 0.099 Uiso 1 1 calc R . .
H52B H 0.4160 1.0377 -0.1154 0.099 Uiso 1 1 calc R . .
H52C H 0.3928 0.8866 -0.1160 0.099 Uiso 1 1 calc R . .
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'
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
N1 Pt1 Cl2 178.78(19) . .
N1 Pt1 Cl3 90.92(18) . .
Cl2 Pt1 Cl3 87.87(7) . .
N1 Pt1 Cl1 91.13(19) . .
Cl2 Pt1 Cl1 90.09(8) . .
Cl3 Pt1 Cl1 177.15(8) . .
N2 Pt2 Cl4 91.47(18) . .
N2 Pt2 Cl5 177.92(18) . .
Cl4 Pt2 Cl5 90.61(8) . .
N2 Pt2 Cl6 89.26(18) . .
Cl4 Pt2 Cl6 179.15(10) . .
Cl5 Pt2 Cl6 88.67(8) . .
C5 N1 C1 117.4(7) . .
C5 N1 Pt1 121.2(6) . .
C1 N1 Pt1 121.3(6) . .
C6 N2 C10 116.8(7) . .
C6 N2 Pt2 121.6(6) . .
C10 N2 Pt2 121.6(6) . .
C11 N3 C12 109.8(6) . .
C11 N3 C14 127.0(7) . .
C12 N3 C14 122.2(6) . .
C11 N4 C13 108.9(7) . .
C11 N4 C23 125.5(7) . .
C13 N4 C23 125.6(7) . .
C32 N5 C33 109.5(6) . .
C32 N5 C35 126.1(7) . .
C33 N5 C35 124.0(6) . .
C32 N6 C34 109.5(7) . .
C32 N6 C44 123.2(7) . .
C34 N6 C44 127.2(7) . .
N1 C1 C2 120.7(9) . .
N1 C1 H1 119.7 . .
C2 C1 H1 119.7 . .
C1 C2 C3 121.3(9) . .
C1 C2 H2 119.3 . .
C3 C2 H2 119.3 . .
C4 C3 C2 118.4(9) . .
C4 C3 H3 120.8 . .
C2 C3 H3 120.8 . .
C3 C4 C5 118.7(9) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
N1 C5 C4 123.4(9) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
N2 C6 C7 122.7(8) . .
N2 C6 H6 118.7 . .
C7 C6 H6 118.6 . .
C8 C7 C6 119.3(8) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C7 C8 C9 118.4(8) . .
C7 C8 H8 120.8 . .
C9 C8 H8 120.8 . .
C10 C9 C8 118.9(9) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
N2 C10 C9 123.9(8) . .
N2 C10 H10 118.1 . .
C9 C10 H10 118.1 . .
N4 C11 N3 107.0(7) . .
N4 C11 H11 126.5 . .
N3 C11 H11 126.5 . .
C13 C12 N3 107.2(8) . .
C13 C12 H12 126.4 . .
N3 C12 H12 126.4 . .
C12 C13 N4 107.1(8) . .
C12 C13 H13 126.5 . .
N4 C13 H13 126.5 . .
C19 C14 C15 124.2(8) . .
C19 C14 N3 118.6(8) . .
C15 C14 N3 117.1(7) . .
C14 C15 C16 117.5(8) . .
C14 C15 C20 121.8(7) . .
C16 C15 C20 120.6(8) . .
C15 C16 C17 120.5(8) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 118.3(8) . .
C18 C17 C21 123.5(9) . .
C16 C17 C21 118.1(9) . .
C17 C18 C19 123.9(9) . .
C17 C18 H18 118.1 . .
C19 C18 H18 118.1 . .
C14 C19 C18 115.5(8) . .
C14 C19 C22 121.3(8) . .
C18 C19 C22 123.1(9) . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C17 C21 H21A 109.5 . .
C17 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C17 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C28 C23 C24 123.4(7) . .
C28 C23 N4 117.5(7) . .
C24 C23 N4 119.1(7) . .
C25 C24 C23 116.5(7) . .
C25 C24 C29 121.4(8) . .
C23 C24 C29 122.1(7) . .
C26 C25 C24 122.0(8) . .
C26 C25 H25 119.0 . .
C24 C25 H25 119.0 . .
C25 C26 C27 119.3(8) . .
C25 C26 C31 120.3(8) . .
C27 C26 C31 120.4(8) . .
C28 C27 C26 120.6(8) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C23 C28 C27 118.3(8) . .
C23 C28 C30 121.6(7) . .
C27 C28 C30 120.1(7) . .
C24 C29 H29A 109.5 . .
C24 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C24 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C26 C31 H31A 109.5 . .
C26 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C26 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N6 C32 N5 107.5(7) . .
N6 C32 H32 126.2 . .
N5 C32 H32 126.2 . .
C34 C33 N5 106.7(7) . .
C34 C33 H33 126.6 . .
N5 C33 H33 126.6 . .
C33 C34 N6 106.8(8) . .
C33 C34 H34 126.6 . .
N6 C34 H34 126.6 . .
C40 C35 C36 122.8(7) . .
C40 C35 N5 119.7(7) . .
C36 C35 N5 117.4(7) . .
C37 C36 C35 118.1(8) . .
C37 C36 C41 121.8(8) . .
C35 C36 C41 120.1(7) . .
C36 C37 C38 121.1(8) . .
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
C39 C38 C37 117.9(8) . .
C39 C38 C42 123.0(9) . .
C37 C38 C42 119.1(9) . .
C38 C39 C40 123.7(9) . .
C38 C39 H39 118.2 . .
C40 C39 H39 118.2 . .
C35 C40 C39 116.3(8) . .
C35 C40 C43 120.7(8) . .
C39 C40 C43 123.0(9) . .
C36 C41 H41A 109.5 . .
C36 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C36 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C38 C42 H42A 109.5 . .
C38 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C38 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C40 C43 H43A 109.5 . .
C40 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C40 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C45 C44 C49 123.9(8) . .
C45 C44 N6 119.2(7) . .
C49 C44 N6 116.9(7) . .
C44 C45 C46 116.1(7) . .
C44 C45 C50 123.0(7) . .
C46 C45 C50 120.8(7) . .
C47 C46 C45 123.4(8) . .
C47 C46 H46 118.3 . .
C45 C46 H46 118.3 . .
C46 C47 C48 118.3(8) . .
C46 C47 C51 121.6(9) . .
C48 C47 C51 120.2(8) . .
C47 C48 C49 121.4(7) . .
C47 C48 H48 119.3 . .
C49 C48 H48 119.3 . .
C44 C49 C48 116.7(8) . .
C44 C49 C52 122.4(8) . .
C48 C49 C52 120.9(8) . .
C45 C50 H50A 109.5 . .
C45 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C45 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C47 C51 H51A 109.5 . .
C47 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C47 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C49 C52 H52A 109.5 . .
C49 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C49 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N1 2.032(6) .
Pt1 Cl2 2.2954(19) .
Pt1 Cl3 2.2981(18) .
Pt1 Cl1 2.299(2) .
Pt2 N2 2.028(6) .
Pt2 Cl4 2.288(2) .
Pt2 Cl5 2.2988(19) .
Pt2 Cl6 2.301(2) .
N1 C5 1.342(10) .
N1 C1 1.367(11) .
N2 C6 1.332(11) .
N2 C10 1.346(10) .
N3 C11 1.333(10) .
N3 C12 1.353(11) .
N3 C14 1.476(9) .
N4 C11 1.329(9) .
N4 C13 1.375(12) .
N4 C23 1.453(9) .
N5 C32 1.326(9) .
N5 C33 1.356(11) .
N5 C35 1.459(9) .
N6 C32 1.323(10) .
N6 C34 1.358(11) .
N6 C44 1.458(10) .
C1 C2 1.376(12) .
C1 H1 0.9500 .
C2 C3 1.379(15) .
C2 H2 0.9500 .
C3 C4 1.358(13) .
C3 H3 0.9500 .
C4 C5 1.399(12) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.401(11) .
C6 H6 0.9500 .
C7 C8 1.362(12) .
C7 H7 0.9500 .
C8 C9 1.389(13) .
C8 H8 0.9500 .
C9 C10 1.364(11) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C13 1.336(12) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.378(12) .
C14 C15 1.397(11) .
C15 C16 1.399(11) .
C15 C20 1.502(12) .
C16 C17 1.415(13) .
C16 H16 0.9500 .
C17 C18 1.364(13) .
C17 C21 1.506(11) .
C18 C19 1.407(12) .
C18 H18 0.9500 .
C19 C22 1.501(12) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C28 1.376(10) .
C23 C24 1.394(11) .
C24 C25 1.390(11) .
C24 C29 1.510(11) .
C25 C26 1.376(11) .
C25 H25 0.9500 .
C26 C27 1.399(12) .
C26 C31 1.526(11) .
C27 C28 1.376(11) .
C27 H27 0.9500 .
C28 C30 1.517(12) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32 0.9500 .
C33 C34 1.353(11) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C40 1.387(11) .
C35 C36 1.398(11) .
C36 C37 1.375(12) .
C36 C41 1.513(12) .
C37 C38 1.424(13) .
C37 H37 0.9500 .
C38 C39 1.354(13) .
C38 C42 1.497(13) .
C39 C40 1.401(12) .
C39 H39 0.9500 .
C40 C43 1.489(12) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 C45 1.383(11) .
C44 C49 1.392(11) .
C45 C46 1.394(11) .
C45 C50 1.503(11) .
C46 C47 1.367(12) .
C46 H46 0.9500 .
C47 C48 1.395(12) .
C47 C51 1.511(11) .
C48 C49 1.403(12) .
C48 H48 0.9500 .
C49 C52 1.506(13) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
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
Cl3 Pt1 N1 C5 -40.0(6) . . . .
Cl1 Pt1 N1 C5 138.0(6) . . . .
Cl3 Pt1 N1 C1 141.2(7) . . . .
Cl1 Pt1 N1 C1 -40.8(7) . . . .
Cl4 Pt2 N2 C6 -133.1(6) . . . .
Cl6 Pt2 N2 C6 47.4(6) . . . .
Cl4 Pt2 N2 C10 47.2(6) . . . .
Cl6 Pt2 N2 C10 -132.4(6) . . . .
C5 N1 C1 C2 1.4(14) . . . .
Pt1 N1 C1 C2 -179.8(8) . . . .
N1 C1 C2 C3 -2.4(17) . . . .
C1 C2 C3 C4 1.9(17) . . . .
C2 C3 C4 C5 -0.6(15) . . . .
C1 N1 C5 C4 -0.2(13) . . . .
Pt1 N1 C5 C4 -178.9(7) . . . .
C3 C4 C5 N1 -0.2(14) . . . .
C10 N2 C6 C7 1.8(12) . . . .
Pt2 N2 C6 C7 -177.9(6) . . . .
N2 C6 C7 C8 -1.5(13) . . . .
C6 C7 C8 C9 0.0(13) . . . .
C7 C8 C9 C10 1.0(13) . . . .
C6 N2 C10 C9 -0.7(13) . . . .
Pt2 N2 C10 C9 179.0(7) . . . .
C8 C9 C10 N2 -0.7(14) . . . .
C13 N4 C11 N3 -1.2(9) . . . .
C23 N4 C11 N3 176.8(7) . . . .
C12 N3 C11 N4 1.1(9) . . . .
C14 N3 C11 N4 169.5(7) . . . .
C11 N3 C12 C13 -0.6(10) . . . .
C14 N3 C12 C13 -169.6(8) . . . .
N3 C12 C13 N4 -0.2(11) . . . .
C11 N4 C13 C12 0.9(11) . . . .
C23 N4 C13 C12 -177.2(8) . . . .
C11 N3 C14 C19 103.7(11) . . . .
C12 N3 C14 C19 -89.2(11) . . . .
C11 N3 C14 C15 -80.1(10) . . . .
C12 N3 C14 C15 86.9(10) . . . .
C19 C14 C15 C16 2.4(14) . . . .
N3 C14 C15 C16 -173.5(7) . . . .
C19 C14 C15 C20 179.0(9) . . . .
N3 C14 C15 C20 3.1(13) . . . .
C14 C15 C16 C17 -1.6(13) . . . .
C20 C15 C16 C17 -178.3(9) . . . .
C15 C16 C17 C18 -0.1(15) . . . .
C15 C16 C17 C21 177.2(9) . . . .
C16 C17 C18 C19 1.2(16) . . . .
C21 C17 C18 C19 -175.9(11) . . . .
C15 C14 C19 C18 -1.3(15) . . . .
N3 C14 C19 C18 174.5(9) . . . .
C15 C14 C19 C22 176.4(10) . . . .
N3 C14 C19 C22 -7.7(16) . . . .
C17 C18 C19 C14 -0.5(17) . . . .
C17 C18 C19 C22 -178.2(12) . . . .
C11 N4 C23 C28 -113.5(9) . . . .
C13 N4 C23 C28 64.3(11) . . . .
C11 N4 C23 C24 68.1(11) . . . .
C13 N4 C23 C24 -114.2(10) . . . .
C28 C23 C24 C25 2.0(12) . . . .
N4 C23 C24 C25 -179.7(7) . . . .
C28 C23 C24 C29 179.8(8) . . . .
N4 C23 C24 C29 -1.9(12) . . . .
C23 C24 C25 C26 -2.2(13) . . . .
C29 C24 C25 C26 180.0(9) . . . .
C24 C25 C26 C27 0.8(14) . . . .
C24 C25 C26 C31 -179.2(8) . . . .
C25 C26 C27 C28 0.9(13) . . . .
C31 C26 C27 C28 -179.0(8) . . . .
C24 C23 C28 C27 -0.3(13) . . . .
N4 C23 C28 C27 -178.7(7) . . . .
C24 C23 C28 C30 -179.4(9) . . . .
N4 C23 C28 C30 2.3(12) . . . .
C26 C27 C28 C23 -1.2(13) . . . .
C26 C27 C28 C30 177.9(9) . . . .
C34 N6 C32 N5 -0.7(9) . . . .
C44 N6 C32 N5 -177.0(6) . . . .
C33 N5 C32 N6 0.1(9) . . . .
C35 N5 C32 N6 -172.9(7) . . . .
C32 N5 C33 C34 0.5(10) . . . .
C35 N5 C33 C34 173.8(7) . . . .
N5 C33 C34 N6 -1.0(10) . . . .
C32 N6 C34 C33 1.1(10) . . . .
C44 N6 C34 C33 177.2(7) . . . .
C32 N5 C35 C40 -94.9(10) . . . .
C33 N5 C35 C40 93.0(10) . . . .
C32 N5 C35 C36 87.5(10) . . . .
C33 N5 C35 C36 -84.6(10) . . . .
C40 C35 C36 C37 -3.5(13) . . . .
N5 C35 C36 C37 173.9(7) . . . .
C40 C35 C36 C41 178.2(8) . . . .
N5 C35 C36 C41 -4.3(11) . . . .
C35 C36 C37 C38 1.0(14) . . . .
C41 C36 C37 C38 179.2(9) . . . .
C36 C37 C38 C39 2.1(15) . . . .
C36 C37 C38 C42 179.0(9) . . . .
C37 C38 C39 C40 -2.9(16) . . . .
C42 C38 C39 C40 -179.7(10) . . . .
C36 C35 C40 C39 2.7(14) . . . .
N5 C35 C40 C39 -174.7(8) . . . .
C36 C35 C40 C43 -178.7(9) . . . .
N5 C35 C40 C43 3.9(13) . . . .
C38 C39 C40 C35 0.6(15) . . . .
C38 C39 C40 C43 -178.0(10) . . . .
C32 N6 C44 C45 -65.7(11) . . . .
C34 N6 C44 C45 118.7(10) . . . .
C32 N6 C44 C49 113.4(9) . . . .
C34 N6 C44 C49 -62.2(11) . . . .
C49 C44 C45 C46 -2.4(13) . . . .
N6 C44 C45 C46 176.7(7) . . . .
C49 C44 C45 C50 178.2(9) . . . .
N6 C44 C45 C50 -2.7(13) . . . .
C44 C45 C46 C47 0.8(13) . . . .
C50 C45 C46 C47 -179.8(8) . . . .
C45 C46 C47 C48 2.3(13) . . . .
C45 C46 C47 C51 -177.9(9) . . . .
C46 C47 C48 C49 -4.0(14) . . . .
C51 C47 C48 C49 176.2(9) . . . .
C45 C44 C49 C48 0.9(14) . . . .
N6 C44 C49 C48 -178.3(8) . . . .
C45 C44 C49 C52 -179.4(10) . . . .
N6 C44 C49 C52 1.5(13) . . . .
C47 C48 C49 C44 2.5(14) . . . .
C47 C48 C49 C52 -177.3(10) . . . .
