#------------------------------------------------------------------------------
#$Date: 2019-10-02 17:38:14 +0300 (Wed, 02 Oct 2019) $
#$Revision: 219038 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/07/4060765.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_4060765
loop_
_publ_author_name
'Meijer, Michel D.'
'Kleij, Arjan W.'
'Williams, B. Scott'
'Ellis, Dianne'
'Lutz, Martin'
'Spek, Anthony L.'
'van Klink, Gerard P. M.'
'van Koten, Gerard'
_publ_section_title
;
 Construction of Supported Organometallics Using Cycloplatinated
 Arylamine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              264
_journal_page_last               271
_journal_paper_doi               10.1021/om010500g
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C55 H54 Cl2 N2 O P2 Pt2, C H2 CL2'
_chemical_formula_sum            'C56 H56 Cl4 N2 O P2 Pt2'
_chemical_formula_weight         1366.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 129.378(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9136(2)
_cell_length_b                   29.0033(4)
_cell_length_c                   18.1500(2)
_cell_measurement_temperature    150(2)
_cell_volume                     5254.58(12)
_computing_cell_refinement       'DENZO 1.11.0'
_computing_data_collection       'Nonius COLLECT '
_computing_data_reduction        'DENZO 1.11.0'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  'PLATON (Spek, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39643
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    5.624
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.747
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     618
_refine_ls_number_reflns         11898
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0366
_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)+(0.0461P)²+9.5346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0923
_reflns_number_gt                10075
_reflns_number_total             11898
_reflns_threshold_expression     I>2σ(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.447847(16) 0.441483(6) 0.245904(12) 0.01569(6) Uani 1 1 d . . .
Pt2 Pt 0.175695(17) 0.133043(6) 0.392207(12) 0.01715(6) Uani 1 1 d . . .
Cl1 Cl 0.52689(12) 0.50456(4) 0.20868(9) 0.0274(3) Uani 1 1 d . . .
Cl2 Cl 0.06324(12) 0.07040(4) 0.40002(9) 0.0241(2) Uani 1 1 d . . .
P1 P 0.64176(11) 0.40382(4) 0.32574(8) 0.0167(2) Uani 1 1 d . . .
P2 P 0.02539(11) 0.18392(4) 0.36472(8) 0.0175(2) Uani 1 1 d . . .
N1 N 0.2573(4) 0.47413(13) 0.1755(3) 0.0191(8) Uani 1 1 d . A .
N2 N 0.3239(4) 0.08710(13) 0.4125(3) 0.0221(8) Uani 1 1 d . A .
C1 C 0.3618(5) 0.39450(15) 0.2747(3) 0.0179(9) Uani 1 1 d . . .
C2 C 0.4199(5) 0.36274(15) 0.3482(3) 0.0183(9) Uani 1 1 d . A .
H2 H 0.5142 0.3584 0.3887 0.022 Uiso 1 1 calc R . .
C3 C 0.3459(5) 0.33685(16) 0.3653(3) 0.0209(10) Uani 1 1 d . . .
C4 C 0.2065(5) 0.34040(18) 0.3022(4) 0.0260(11) Uani 1 1 d . A .
H4 H 0.1540 0.3216 0.3102 0.031 Uiso 1 1 calc R . .
C5 C 0.1452(5) 0.37185(17) 0.2274(4) 0.0270(11) Uani 1 1 d . . .
H5 H 0.0505 0.3750 0.1853 0.032 Uiso 1 1 calc R A .
C6 C 0.2202(5) 0.39850(16) 0.2136(3) 0.0205(9) Uani 1 1 d . A .
C7 C 0.1590(4) 0.43521(16) 0.1385(3) 0.0212(10) Uani 1 1 d . . .
H7A H 0.0749 0.4465 0.1232 0.025 Uiso 1 1 calc R A .
H7B H 0.1375 0.4225 0.0796 0.025 Uiso 1 1 calc R . .
C8 C 0.2625(5) 0.50028(18) 0.2484(4) 0.0284(11) Uani 1 1 d . . .
H8A H 0.3287 0.5251 0.2743 0.043 Uiso 1 1 calc R A .
H8B H 0.2880 0.4794 0.3000 0.043 Uiso 1 1 calc R . .
H8C H 0.1741 0.5135 0.2189 0.043 Uiso 1 1 calc R . .
C9 C 0.2099(5) 0.50588(17) 0.0961(3) 0.0273(11) Uani 1 1 d . . .
H9D H 0.1223 0.5184 0.0704 0.041 Uiso 1 1 calc R A .
H9E H 0.2019 0.4891 0.0458 0.041 Uiso 1 1 calc R . .
H9F H 0.2741 0.5312 0.1193 0.041 Uiso 1 1 calc R . .
C10 C 0.4151(5) 0.30519(17) 0.4512(3) 0.0228(10) Uani 0.547(9) 1 d P A 1
H10 H 0.5129 0.3127 0.4944 0.027 Uiso 0.547(9) 1 calc PR A 1
O1 O 0.3694(8) 0.3112(2) 0.5044(5) 0.037(2) Uani 0.547(9) 1 d P A 1
H1 H 0.3419 0.3383 0.4976 0.056 Uiso 0.547(9) 1 calc PR A 1
C10A C 0.4151(5) 0.30519(17) 0.4512(3) 0.0228(10) Uani 0.453(9) 1 d P A 2
H10A H 0.3717 0.3099 0.4807 0.027 Uiso 0.453(9) 1 calc PR A 2
O1A O 0.5526(8) 0.3183(3) 0.5201(5) 0.030(2) Uani 0.453(9) 1 d P A 2
H1A H 0.5608 0.3464 0.5138 0.045 Uiso 0.453(9) 1 calc PR A 2
C11 C 0.2933(4) 0.18039(16) 0.3960(3) 0.0183(9) Uani 1 1 d . . .
C12 C 0.3082(4) 0.22717(17) 0.4196(3) 0.0205(10) Uani 1 1 d . A .
H12 H 0.2538 0.2403 0.4325 0.025 Uiso 1 1 calc R . .
C13 C 0.4003(4) 0.25494(17) 0.4247(3) 0.0207(10) Uani 1 1 d . . .
C14 C 0.4788(5) 0.23603(18) 0.4043(3) 0.0250(11) Uani 1 1 d . A .
H14 H 0.5391 0.2550 0.4047 0.030 Uiso 1 1 calc R . .
C15 C 0.4687(5) 0.18939(18) 0.3835(4) 0.0259(11) Uani 1 1 d . . .
H15 H 0.5242 0.1764 0.3715 0.031 Uiso 1 1 calc R A .
C16 C 0.3783(5) 0.16150(17) 0.3800(3) 0.0209(10) Uani 1 1 d . A .
C17 C 0.3657(5) 0.11054(17) 0.3607(3) 0.0237(10) Uani 1 1 d . . .
H17A H 0.4526 0.0980 0.3830 0.028 Uiso 1 1 calc R A .
H17B H 0.2981 0.1048 0.2914 0.028 Uiso 1 1 calc R . .
C18 C 0.2781(6) 0.03989(18) 0.3740(4) 0.0355(13) Uani 1 1 d . . .
H18A H 0.3479 0.0238 0.3776 0.053 Uiso 1 1 calc R A .
H18B H 0.1961 0.0415 0.3073 0.053 Uiso 1 1 calc R . .
H18C H 0.2598 0.0231 0.4114 0.053 Uiso 1 1 calc R . .
C19 C 0.4406(5) 0.08410(19) 0.5148(4) 0.0325(12) Uani 1 1 d . . .
H19D H 0.4127 0.0708 0.5494 0.049 Uiso 1 1 calc R A .
H19E H 0.4773 0.1150 0.5395 0.049 Uiso 1 1 calc R . .
H19F H 0.5093 0.0644 0.5234 0.049 Uiso 1 1 calc R . .
C21 C 0.7620(5) 0.41958(18) 0.3078(3) 0.0242(10) Uani 1 1 d . . .
C22 C 0.7866(7) 0.3909(2) 0.2602(5) 0.0465(16) Uani 1 1 d . . .
H22 H 0.7367 0.3633 0.2320 0.056 Uiso 1 1 calc R . .
C23 C 0.8862(9) 0.4027(3) 0.2533(7) 0.073(3) Uani 1 1 d . . .
H23 H 0.9043 0.3826 0.2213 0.087 Uiso 1 1 calc R . .
C24 C 0.9568(7) 0.4428(3) 0.2925(6) 0.059(2) Uani 1 1 d . . .
H24 H 1.0236 0.4506 0.2875 0.071 Uiso 1 1 calc R . .
C25 C 0.9316(6) 0.4720(2) 0.3392(5) 0.0435(15) Uani 1 1 d . . .
H25 H 0.9805 0.4999 0.3662 0.052 Uiso 1 1 calc R . .
C26 C 0.8347(5) 0.46045(18) 0.3467(4) 0.0313(12) Uani 1 1 d . . .
H26 H 0.8174 0.4807 0.3789 0.038 Uiso 1 1 calc R . .
C27 C 0.6227(5) 0.34198(15) 0.3026(3) 0.0191(9) Uani 1 1 d . . .
C28 C 0.5241(5) 0.32771(16) 0.2084(3) 0.0221(10) Uani 1 1 d . . .
H28 H 0.4659 0.3498 0.1606 0.027 Uiso 1 1 calc R . .
C29 C 0.5107(5) 0.28133(19) 0.1843(4) 0.0316(12) Uani 1 1 d . . .
H29 H 0.4452 0.2719 0.1199 0.038 Uiso 1 1 calc R . .
C30 C 0.5922(6) 0.24905(18) 0.2539(4) 0.0321(12) Uani 1 1 d . . .
H30 H 0.5820 0.2173 0.2376 0.038 Uiso 1 1 calc R . .
C31 C 0.6893(6) 0.26273(17) 0.3478(4) 0.0299(12) Uani 1 1 d . . .
H31 H 0.7451 0.2403 0.3955 0.036 Uiso 1 1 calc R . .
C32 C 0.7055(5) 0.30869(17) 0.3724(4) 0.0250(10) Uani 1 1 d . . .
H32 H 0.7729 0.3178 0.4368 0.030 Uiso 1 1 calc R . .
C33 C 0.7436(5) 0.41102(17) 0.4536(3) 0.0237(10) Uani 1 1 d . . .
C34 C 0.8783(5) 0.39736(19) 0.5157(4) 0.0340(13) Uani 1 1 d . . .
H34 H 0.9183 0.3852 0.4904 0.041 Uiso 1 1 calc R . .
C35 C 0.9548(6) 0.4014(2) 0.6147(4) 0.0450(16) Uani 1 1 d . . .
H35 H 1.0456 0.3916 0.6565 0.054 Uiso 1 1 calc R . .
C36 C 0.8959(7) 0.4200(2) 0.6503(4) 0.0451(17) Uani 1 1 d . . .
H36 H 0.9465 0.4224 0.7173 0.054 Uiso 1 1 calc R . .
C37 C 0.7646(7) 0.4351(2) 0.5899(4) 0.0418(15) Uani 1 1 d . . .
H37 H 0.7266 0.4490 0.6153 0.050 Uiso 1 1 calc R . .
C38 C 0.6886(5) 0.42993(17) 0.4923(3) 0.0249(10) Uani 1 1 d . . .
H38 H 0.5976 0.4395 0.4511 0.030 Uiso 1 1 calc R . .
C39 C -0.1245(5) 0.15920(16) 0.3400(4) 0.0231(10) Uani 1 1 d . . .
C40 C -0.2306(5) 0.14579(18) 0.2474(4) 0.0284(11) Uani 1 1 d . . .
H40 H -0.2249 0.1500 0.1982 0.034 Uiso 1 1 calc R . .
C41 C -0.3453(6) 0.12623(18) 0.2262(4) 0.0342(13) Uani 1 1 d . . .
H41 H -0.4181 0.1177 0.1624 0.041 Uiso 1 1 calc R . .
C42 C -0.3534(6) 0.11913(18) 0.2982(5) 0.0364(14) Uani 1 1 d . . .
H42 H -0.4316 0.1058 0.2838 0.044 Uiso 1 1 calc R . .
C43 C -0.2476(6) 0.13157(17) 0.3904(5) 0.0335(13) Uani 1 1 d . . .
H43 H -0.2526 0.1264 0.4398 0.040 Uiso 1 1 calc R . .
C44 C -0.1330(5) 0.15179(17) 0.4121(4) 0.0245(10) Uani 1 1 d . . .
H44 H -0.0608 0.1605 0.4758 0.029 Uiso 1 1 calc R . .
C45 C 0.0921(4) 0.22127(17) 0.4677(3) 0.0196(9) Uani 1 1 d . . .
C46 C 0.0685(5) 0.26836(18) 0.4608(4) 0.0283(11) Uani 1 1 d . . .
H46 H 0.0145 0.2829 0.4001 0.034 Uiso 1 1 calc R . .
C47 C 0.1241(6) 0.2942(2) 0.5430(4) 0.0349(13) Uani 1 1 d . . .
H47 H 0.1087 0.3265 0.5383 0.042 Uiso 1 1 calc R . .
C48 C 0.2016(5) 0.2731(2) 0.6311(4) 0.0375(14) Uani 1 1 d . . .
H48 H 0.2385 0.2908 0.6868 0.045 Uiso 1 1 calc R . .
C49 C 0.2255(5) 0.2261(2) 0.6386(4) 0.0356(13) Uani 1 1 d . . .
H49 H 0.2784 0.2116 0.6993 0.043 Uiso 1 1 calc R . .
C50 C 0.1722(5) 0.2003(2) 0.5572(4) 0.0288(11) Uani 1 1 d . . .
H50 H 0.1903 0.1682 0.5625 0.035 Uiso 1 1 calc R . .
C51 C -0.0496(5) 0.22186(17) 0.2615(3) 0.0205(10) Uani 1 1 d . . .
C52 C -0.0048(5) 0.22159(18) 0.2089(3) 0.0256(10) Uani 1 1 d . . .
H52 H 0.0679 0.2024 0.2276 0.031 Uiso 1 1 calc R . .
C53 C -0.0675(5) 0.24966(19) 0.1286(3) 0.0289(11) Uani 1 1 d . . .
H53 H -0.0362 0.2498 0.0933 0.035 Uiso 1 1 calc R . .
C54 C -0.1747(5) 0.2773(2) 0.0997(4) 0.0331(13) Uani 1 1 d . . .
H54 H -0.2168 0.2962 0.0449 0.040 Uiso 1 1 calc R . .
C55 C -0.2204(5) 0.27706(18) 0.1512(4) 0.0274(11) Uani 1 1 d . . .
H55 H -0.2938 0.2960 0.1317 0.033 Uiso 1 1 calc R . .
C56 C -0.1594(5) 0.24933(17) 0.2307(4) 0.0256(10) Uani 1 1 d . . .
H56 H -0.1925 0.2489 0.2648 0.031 Uiso 1 1 calc R . .
C20 C 0.3110(7) 0.0458(2) 0.0516(5) 0.0515(17) Uani 1 1 d . . .
H20A H 0.2308 0.0260 0.0094 0.062 Uiso 1 1 calc R . .
H20B H 0.3766 0.0287 0.1117 0.062 Uiso 1 1 calc R . .
Cl3 Cl 0.3813(3) 0.05677(8) -0.00344(15) 0.0770(7) Uani 1 1 d . . .
Cl4 Cl 0.2660(3) 0.09625(9) 0.0760(2) 0.1023(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C1 Pt1 N1 80.85(17) y
C1 Pt1 P1 94.39(13) y
N1 Pt1 P1 175.04(11) y
C1 Pt1 Cl1 171.87(13) y
N1 Pt1 Cl1 91.59(11) y
P1 Pt1 Cl1 93.08(4) y
C11 Pt2 N2 81.24(17) y
C11 Pt2 P2 94.98(13) y
N2 Pt2 P2 175.50(11) y
C11 Pt2 Cl2 172.11(13) y
N2 Pt2 Cl2 91.56(11) y
P2 Pt2 Cl2 92.35(4) y
C33 P1 C27 106.9(2) ?
C33 P1 C21 100.9(2) ?
C27 P1 C21 102.1(2) ?
C33 P1 Pt1 112.31(17) ?
C27 P1 Pt1 113.65(15) ?
C21 P1 Pt1 119.42(16) ?
C51 P2 C39 101.2(2) ?
C51 P2 C45 106.8(2) ?
C39 P2 C45 102.7(2) ?
C51 P2 Pt2 116.56(16) ?
C39 P2 Pt2 115.50(16) ?
C45 P2 Pt2 112.57(16) ?
C9 N1 C8 107.9(4) ?
C9 N1 C7 108.8(4) ?
C8 N1 C7 109.2(4) ?
C9 N1 Pt1 117.8(3) ?
C8 N1 Pt1 107.9(3) ?
C7 N1 Pt1 105.1(3) ?
C19 N2 C18 108.9(4) ?
C19 N2 C17 109.1(4) ?
C18 N2 C17 108.5(4) ?
C19 N2 Pt2 109.7(3) ?
C18 N2 Pt2 116.3(3) ?
C17 N2 Pt2 104.1(3) ?
C2 C1 C6 116.6(4) ?
C2 C1 Pt1 130.2(3) ?
C6 C1 Pt1 112.9(3) ?
C1 C2 C3 122.9(4) ?
C1 C2 H2 118.6 ?
C3 C2 H2 118.6 ?
C4 C3 C2 119.1(4) ?
C4 C3 C10 120.0(4) ?
C2 C3 C10 120.9(4) ?
C5 C4 C3 119.2(5) ?
C5 C4 H4 120.4 ?
C3 C4 H4 120.4 ?
C6 C5 C4 120.9(5) ?
C6 C5 H5 119.5 ?
C4 C5 H5 119.5 ?
C5 C6 C1 121.1(4) ?
C5 C6 C7 122.4(4) ?
C1 C6 C7 116.3(4) ?
C6 C7 N1 108.6(4) ?
C6 C7 H7A 110.0 ?
N1 C7 H7A 110.0 ?
C6 C7 H7B 110.0 ?
N1 C7 H7B 110.0 ?
H7A C7 H7B 108.4 ?
N1 C8 H8A 109.5 ?
N1 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
N1 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
N1 C9 H9D 109.5 ?
N1 C9 H9E 109.5 ?
H9D C9 H9E 109.5 ?
N1 C9 H9F 109.5 ?
H9D C9 H9F 109.5 ?
H9E C9 H9F 109.5 ?
O1 C10 C13 108.1(4) ?
O1 C10 C3 113.3(5) ?
C13 C10 C3 112.6(4) ?
O1 C10 H10 107.5 ?
C13 C10 H10 107.5 ?
C3 C10 H10 107.5 ?
C10 O1 H1 109.5 ?
C12 C11 C16 117.7(4) ?
C12 C11 Pt2 128.7(3) ?
C16 C11 Pt2 113.3(3) ?
C13 C12 C11 121.9(4) ?
C13 C12 H12 119.1 ?
C11 C12 H12 119.1 ?
C12 C13 C14 119.4(5) ?
C12 C13 C10 120.7(4) ?
C14 C13 C10 119.9(4) ?
C15 C14 C13 119.8(4) ?
C15 C14 H14 120.1 ?
C13 C14 H14 120.1 ?
C14 C15 C16 120.8(5) ?
C14 C15 H15 119.6 ?
C16 C15 H15 119.6 ?
C15 C16 C11 120.4(4) ?
C15 C16 C17 123.1(4) ?
C11 C16 C17 116.5(4) ?
C16 C17 N2 109.0(4) ?
C16 C17 H17A 109.9 ?
N2 C17 H17A 109.9 ?
C16 C17 H17B 109.9 ?
N2 C17 H17B 109.9 ?
H17A C17 H17B 108.3 ?
N2 C18 H18A 109.5 ?
N2 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
N2 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
N2 C19 H19D 109.5 ?
N2 C19 H19E 109.5 ?
H19D C19 H19E 109.5 ?
N2 C19 H19F 109.5 ?
H19D C19 H19F 109.5 ?
H19E C19 H19F 109.5 ?
C22 C21 C26 118.9(5) ?
C22 C21 P1 121.3(4) ?
C26 C21 P1 119.7(4) ?
C21 C22 C23 119.8(6) ?
C21 C22 H22 120.1 ?
C23 C22 H22 120.1 ?
C24 C23 C22 120.3(7) ?
C24 C23 H23 119.8 ?
C22 C23 H23 119.8 ?
C23 C24 C25 120.2(6) ?
C23 C24 H24 119.9 ?
C25 C24 H24 119.9 ?
C24 C25 C26 119.7(6) ?
C24 C25 H25 120.2 ?
C26 C25 H25 120.2 ?
C25 C26 C21 121.1(6) ?
C25 C26 H26 119.5 ?
C21 C26 H26 119.5 ?
C28 C27 C32 118.8(4) ?
C28 C27 P1 117.3(4) ?
C32 C27 P1 123.8(4) ?
C29 C28 C27 120.4(5) ?
C29 C28 H28 119.8 ?
C27 C28 H28 119.8 ?
C30 C29 C28 119.9(5) ?
C30 C29 H29 120.0 ?
C28 C29 H29 120.0 ?
C29 C30 C31 120.1(5) ?
C29 C30 H30 119.9 ?
C31 C30 H30 119.9 ?
C32 C31 C30 120.5(5) ?
C32 C31 H31 119.7 ?
C30 C31 H31 119.7 ?
C31 C32 C27 120.1(5) ?
C31 C32 H32 119.9 ?
C27 C32 H32 119.9 ?
C38 C33 C34 118.5(5) ?
C38 C33 P1 120.3(4) ?
C34 C33 P1 121.3(4) ?
C35 C34 C33 120.9(6) ?
C35 C34 H34 119.6 ?
C33 C34 H34 119.6 ?
C36 C35 C34 118.9(6) ?
C36 C35 H35 120.6 ?
C34 C35 H35 120.6 ?
C35 C36 C37 121.0(5) ?
C35 C36 H36 119.5 ?
C37 C36 H36 119.5 ?
C36 C37 C38 119.8(6) ?
C36 C37 H37 120.1 ?
C38 C37 H37 120.1 ?
C37 C38 C33 121.0(5) ?
C37 C38 H38 119.5 ?
C33 C38 H38 119.5 ?
C40 C39 C44 119.1(5) ?
C40 C39 P2 118.9(4) ?
C44 C39 P2 121.9(4) ?
C39 C40 C41 120.5(5) ?
C39 C40 H40 119.7 ?
C41 C40 H40 119.7 ?
C42 C41 C40 120.1(5) ?
C42 C41 H41 120.0 ?
C40 C41 H41 120.0 ?
C43 C42 C41 119.7(5) ?
C43 C42 H42 120.1 ?
C41 C42 H42 120.1 ?
C42 C43 C44 120.5(5) ?
C42 C43 H43 119.7 ?
C44 C43 H43 119.7 ?
C39 C44 C43 120.0(5) ?
C39 C44 H44 120.0 ?
C43 C44 H44 120.0 ?
C46 C45 C50 119.5(4) ?
C46 C45 P2 123.6(4) ?
C50 C45 P2 116.8(4) ?
C45 C46 C47 119.8(5) ?
C45 C46 H46 120.1 ?
C47 C46 H46 120.1 ?
C48 C47 C46 120.2(5) ?
C48 C47 H47 119.9 ?
C46 C47 H47 119.9 ?
C47 C48 C49 120.2(5) ?
C47 C48 H48 119.9 ?
C49 C48 H48 119.9 ?
C48 C49 C50 119.8(5) ?
C48 C49 H49 120.1 ?
C50 C49 H49 120.1 ?
C49 C50 C45 120.4(5) ?
C49 C50 H50 119.8 ?
C45 C50 H50 119.8 ?
C52 C51 C56 119.0(4) ?
C52 C51 P2 121.1(4) ?
C56 C51 P2 119.7(4) ?
C53 C52 C51 119.6(5) ?
C53 C52 H52 120.2 ?
C51 C52 H52 120.2 ?
C54 C53 C52 120.9(5) ?
C54 C53 H53 119.6 ?
C52 C53 H53 119.6 ?
C53 C54 C55 119.6(5) ?
C53 C54 H54 120.2 ?
C55 C54 H54 120.2 ?
C56 C55 C54 120.2(5) ?
C56 C55 H55 119.9 ?
C54 C55 H55 119.9 ?
C55 C56 C51 120.7(5) ?
C55 C56 H56 119.6 ?
C51 C56 H56 119.6 ?
Cl4 C20 Cl3 111.7(4) ?
Cl4 C20 H20A 109.3 ?
Cl3 C20 H20A 109.3 ?
Cl4 C20 H20B 109.3 ?
Cl3 C20 H20B 109.3 ?
H20A C20 H20B 107.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C1 2.025(4) y
Pt1 N1 2.143(4) y
Pt1 P1 2.2270(11) y
Pt1 Cl1 2.3917(12) y
Pt2 C11 2.016(4) y
Pt2 N2 2.164(4) y
Pt2 P2 2.2282(12) y
Pt2 Cl2 2.3856(11) y
P1 C33 1.813(5) ?
P1 C27 1.823(5) ?
P1 C21 1.835(5) ?
P2 C51 1.832(5) ?
P2 C39 1.833(5) ?
P2 C45 1.835(5) ?
N1 C9 1.476(6) ?
N1 C8 1.490(6) ?
N1 C7 1.502(6) ?
N2 C19 1.475(6) ?
N2 C18 1.480(6) ?
N2 C17 1.509(6) ?
C1 C2 1.386(6) ?
C1 C6 1.419(6) ?
C2 C3 1.396(6) ?
C2 H2 0.9500 ?
C3 C4 1.396(6) ?
C3 C10 1.518(6) ?
C4 C5 1.392(7) ?
C4 H4 0.9500 ?
C5 C6 1.381(7) ?
C5 H5 0.9500 ?
C6 C7 1.500(6) ?
C7 H7A 0.9900 ?
C7 H7B 0.9900 ?
C8 H8A 0.9800 ?
C8 H8B 0.9800 ?
C8 H8C 0.9800 ?
C9 H9D 0.9800 ?
C9 H9E 0.9800 ?
C9 H9F 0.9800 ?
C10 O1 1.425(8) ?
C10 C13 1.509(7) ?
C10 H10 1.0000 ?
O1 H1 0.8400 ?
O1A H1A 0.8400 ?
C11 C12 1.399(6) ?
C11 C16 1.412(6) ?
C12 C13 1.390(6) ?
C12 H12 0.9500 ?
C13 C14 1.393(7) ?
C14 C15 1.388(7) ?
C14 H14 0.9500 ?
C15 C16 1.388(7) ?
C15 H15 0.9500 ?
C16 C17 1.504(7) ?
C17 H17A 0.9900 ?
C17 H17B 0.9900 ?
C18 H18A 0.9800 ?
C18 H18B 0.9800 ?
C18 H18C 0.9800 ?
C19 H19D 0.9800 ?
C19 H19E 0.9800 ?
C19 H19F 0.9800 ?
C21 C22 1.373(8) ?
C21 C26 1.394(7) ?
C22 C23 1.411(8) ?
C22 H22 0.9500 ?
C23 C24 1.367(11) ?
C23 H23 0.9500 ?
C24 C25 1.375(10) ?
C24 H24 0.9500 ?
C25 C26 1.383(8) ?
C25 H25 0.9500 ?
C26 H26 0.9500 ?
C27 C28 1.398(7) ?
C27 C32 1.400(7) ?
C28 C29 1.391(7) ?
C28 H28 0.9500 ?
C29 C30 1.376(8) ?
C29 H29 0.9500 ?
C30 C31 1.386(8) ?
C30 H30 0.9500 ?
C31 C32 1.379(7) ?
C31 H31 0.9500 ?
C32 H32 0.9500 ?
C33 C38 1.389(7) ?
C33 C34 1.402(7) ?
C34 C35 1.401(8) ?
C34 H34 0.9500 ?
C35 C36 1.382(10) ?
C35 H35 0.9500 ?
C36 C37 1.382(9) ?
C36 H36 0.9500 ?
C37 C38 1.385(7) ?
C37 H37 0.9500 ?
C38 H38 0.9500 ?
C39 C40 1.390(7) ?
C39 C44 1.396(7) ?
C40 C41 1.393(7) ?
C40 H40 0.9500 ?
C41 C42 1.391(8) ?
C41 H41 0.9500 ?
C42 C43 1.378(9) ?
C42 H42 0.9500 ?
C43 C44 1.397(7) ?
C43 H43 0.9500 ?
C44 H44 0.9500 ?
C45 C46 1.388(7) ?
C45 C50 1.395(7) ?
C46 C47 1.395(7) ?
C46 H46 0.9500 ?
C47 C48 1.381(8) ?
C47 H47 0.9500 ?
C48 C49 1.384(9) ?
C48 H48 0.9500 ?
C49 C50 1.388(7) ?
C49 H49 0.9500 ?
C50 H50 0.9500 ?
C51 C52 1.396(6) ?
C51 C56 1.397(7) ?
C52 C53 1.394(7) ?
C52 H52 0.9500 ?
C53 C54 1.382(7) ?
C53 H53 0.9500 ?
C54 C55 1.385(7) ?
C54 H54 0.9500 ?
C55 C56 1.382(7) ?
C55 H55 0.9500 ?
C56 H56 0.9500 ?
C20 Cl4 1.734(7) ?
C20 Cl3 1.753(7) ?
C20 H20A 0.9900 ?
C20 H20B 0.9900 ?
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
C1 Pt1 P1 C33 -76.8(2)
Cl1 Pt1 P1 C33 99.98(17)
C1 Pt1 P1 C27 44.7(2)
Cl1 Pt1 P1 C27 -138.53(17)
C1 Pt1 P1 C21 165.4(2)
Cl1 Pt1 P1 C21 -17.9(2)
C11 Pt2 P2 C51 54.7(2)
Cl2 Pt2 P2 C51 -128.24(17)
C11 Pt2 P2 C39 173.3(2)
Cl2 Pt2 P2 C39 -9.66(19)
C11 Pt2 P2 C45 -69.2(2)
Cl2 Pt2 P2 C45 107.86(16)
C1 Pt1 N1 C9 -154.7(4)
Cl1 Pt1 N1 C9 28.3(3)
C1 Pt1 N1 C8 83.0(3)
Cl1 Pt1 N1 C8 -94.0(3)
C1 Pt1 N1 C7 -33.4(3)
Cl1 Pt1 N1 C7 149.6(3)
C11 Pt2 N2 C19 84.0(3)
Cl2 Pt2 N2 C19 -92.7(3)
C11 Pt2 N2 C18 -151.9(4)
Cl2 Pt2 N2 C18 31.3(4)
C11 Pt2 N2 C17 -32.6(3)
Cl2 Pt2 N2 C17 150.6(3)
N1 Pt1 C1 C2 -155.3(4)
P1 Pt1 C1 C2 23.3(4)
N1 Pt1 C1 C6 18.4(3)
P1 Pt1 C1 C6 -163.0(3)
C6 C1 C2 C3 -2.5(7)
Pt1 C1 C2 C3 171.1(4)
C1 C2 C3 C4 4.6(7)
C1 C2 C3 C10 -175.3(4)
C2 C3 C4 C5 -4.2(7)
C10 C3 C4 C5 175.8(5)
C3 C4 C5 C6 1.7(8)
C4 C5 C6 C1 0.4(8)
C4 C5 C6 C7 -175.3(5)
C2 C1 C6 C5 -0.1(7)
Pt1 C1 C6 C5 -174.7(4)
C2 C1 C6 C7 175.9(4)
Pt1 C1 C6 C7 1.3(5)
C5 C6 C7 N1 145.6(5)
C1 C6 C7 N1 -30.3(6)
C9 N1 C7 C6 168.8(4)
C8 N1 C7 C6 -73.6(5)
Pt1 N1 C7 C6 41.9(4)
C4 C3 C10 O1 -48.9(7)
C2 C3 C10 O1 131.1(5)
C4 C3 C10 C13 74.1(6)
C2 C3 C10 C13 -105.9(5)
N2 Pt2 C11 C12 -156.2(4)
P2 Pt2 C11 C12 26.3(4)
N2 Pt2 C11 C16 18.0(3)
P2 Pt2 C11 C16 -159.5(3)
C16 C11 C12 C13 1.9(7)
Pt2 C11 C12 C13 175.9(3)
C11 C12 C13 C14 1.0(7)
C11 C12 C13 C10 -179.4(4)
O1 C10 C13 C12 23.9(7)
C3 C10 C13 C12 -102.0(5)
O1 C10 C13 C14 -156.6(5)
C3 C10 C13 C14 77.5(5)
C12 C13 C14 C15 -2.9(7)
C10 C13 C14 C15 177.5(4)
C13 C14 C15 C16 1.9(7)
C14 C15 C16 C11 1.1(7)
C14 C15 C16 C17 -178.2(4)
C12 C11 C16 C15 -3.0(7)
Pt2 C11 C16 C15 -177.9(4)
C12 C11 C16 C17 176.4(4)
Pt2 C11 C16 C17 1.5(5)
C15 C16 C17 N2 148.9(4)
C11 C16 C17 N2 -30.4(5)
C19 N2 C17 C16 -76.0(5)
C18 N2 C17 C16 165.5(4)
Pt2 N2 C17 C16 41.0(4)
C33 P1 C21 C22 127.2(5)
C27 P1 C21 C22 17.1(5)
Pt1 P1 C21 C22 -109.2(5)
C33 P1 C21 C26 -49.9(5)
C27 P1 C21 C26 -160.1(4)
Pt1 P1 C21 C26 73.6(4)
C26 C21 C22 C23 1.4(10)
P1 C21 C22 C23 -175.7(6)
C21 C22 C23 C24 -1.0(13)
C22 C23 C24 C25 0.2(13)
C23 C24 C25 C26 0.2(11)
C24 C25 C26 C21 0.1(9)
C22 C21 C26 C25 -1.0(8)
P1 C21 C26 C25 176.2(4)
C33 P1 C27 C28 165.9(4)
C21 P1 C27 C28 -88.5(4)
Pt1 P1 C27 C28 41.5(4)
C33 P1 C27 C32 -17.7(5)
C21 P1 C27 C32 87.8(4)
Pt1 P1 C27 C32 -142.2(4)
C32 C27 C28 C29 -1.4(7)
P1 C27 C28 C29 175.1(4)
C27 C28 C29 C30 1.9(7)
C28 C29 C30 C31 -1.1(8)
C29 C30 C31 C32 -0.2(8)
C30 C31 C32 C27 0.7(8)
C28 C27 C32 C31 0.1(7)
P1 C27 C32 C31 -176.2(4)
C27 P1 C33 C38 -112.9(4)
C21 P1 C33 C38 140.8(4)
Pt1 P1 C33 C38 12.4(4)
C27 P1 C33 C34 66.5(5)
C21 P1 C33 C34 -39.9(5)
Pt1 P1 C33 C34 -168.2(4)
C38 C33 C34 C35 1.8(8)
P1 C33 C34 C35 -177.5(4)
C33 C34 C35 C36 -1.1(9)
C34 C35 C36 C37 -1.1(9)
C35 C36 C37 C38 2.7(9)
C36 C37 C38 C33 -2.0(8)
C34 C33 C38 C37 -0.2(8)
P1 C33 C38 C37 179.1(4)
C51 P2 C39 C40 42.0(4)
C45 P2 C39 C40 152.3(4)
Pt2 P2 C39 C40 -84.8(4)
C51 P2 C39 C44 -140.6(4)
C45 P2 C39 C44 -30.3(5)
Pt2 P2 C39 C44 92.6(4)
C44 C39 C40 C41 1.5(7)
P2 C39 C40 C41 179.0(4)
C39 C40 C41 C42 -1.2(8)
C40 C41 C42 C43 0.1(8)
C41 C42 C43 C44 0.8(8)
C40 C39 C44 C43 -0.6(7)
P2 C39 C44 C43 -178.1(4)
C42 C43 C44 C39 -0.5(8)
C51 P2 C45 C46 8.6(5)
C39 P2 C45 C46 -97.4(4)
Pt2 P2 C45 C46 137.8(4)
C51 P2 C45 C50 -170.4(4)
C39 P2 C45 C50 83.6(4)
Pt2 P2 C45 C50 -41.3(4)
C50 C45 C46 C47 -0.4(7)
P2 C45 C46 C47 -179.4(4)
C45 C46 C47 C48 -0.6(8)
C46 C47 C48 C49 0.6(8)
C47 C48 C49 C50 0.4(8)
C48 C49 C50 C45 -1.4(8)
C46 C45 C50 C49 1.4(7)
P2 C45 C50 C49 -179.5(4)
C39 P2 C51 C52 -132.0(4)
C45 P2 C51 C52 120.9(4)
Pt2 P2 C51 C52 -5.9(5)
C39 P2 C51 C56 43.6(4)
C45 P2 C51 C56 -63.5(4)
Pt2 P2 C51 C56 169.7(3)
C56 C51 C52 C53 2.0(7)
P2 C51 C52 C53 177.6(4)
C51 C52 C53 C54 -0.9(8)
C52 C53 C54 C55 0.0(8)
C53 C54 C55 C56 -0.2(8)
C54 C55 C56 C51 1.3(8)
C52 C51 C56 C55 -2.2(7)
P2 C51 C56 C55 -177.8(4)
