#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/13/7011369.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_7011369
loop_
_publ_author_name
'Ahmad, Mustaffa'
'Perera, Sarath D.'
'Shaw, Bernard L.'
'Thornton-Pett, Mark'
_publ_section_title
;
 Uni-, bi- and ter-dentate complexes formed from
 PPh2CH2C(R)NNHC(O)Ph (R = But or Ph) and Pd or Pt:
 crystal structures of [PdCl{PPh2CH2C(But)NNC(Ph)O}],
 [Pt{PPh2CHC(Ph)NNC(Ph)O}{PPh2CH2C(Ph)NNHC(O)Ph}]
 and [Pd{PPh2CHC(But)NHNC(O)Ph}2]
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1954
_journal_paper_doi               10.1039/b111079a
_journal_year                    2002
_chemical_formula_sum            'C55 H46 Cl2 N4 O2 P2 Pt'
_chemical_formula_weight         1122.89
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.260(9)
_cell_angle_beta                 99.334(9)
_cell_angle_gamma                110.682(7)
_cell_formula_units_Z            2
_cell_length_a                   12.614(2)
_cell_length_b                   13.671(2)
_cell_length_c                   15.754(3)
_cell_measurement_reflns_used    64
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      17.5
_cell_volume                     2425.1(7)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics
;
ORTEP3 for Windows (Farrugia, 1997) 
XSeed (Barbour, 2001)
;
_computing_publication_material  'WC (Thornton-Pett, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE STADI4 4-circle-diffractometer'
_diffrn_measurement_method       ω-θ-scans
_diffrn_radiation_collimation    '0.8 mm'
_diffrn_radiation_detector       'NaI(Tl) scintillation counter'
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_polarisn_norm  90.0
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9663
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.116
_exptl_absorpt_correction_T_max  0.5890
_exptl_absorpt_correction_T_min  0.3105
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         8527
_refine_ls_number_restraints     218
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0221
_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)+(0.0207P)²+4.3144P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0536
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                7943
_reflns_number_total             8527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111079a.txt
_cod_data_source_block           sp32
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7011369
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Pt Pt 0.208837(9) 0.176900(9) 0.204610(8) 0.01620(4) Uani 1 1 d . . .
P1 P 0.13004(7) 0.07057(6) 0.28940(5) 0.01898(16) Uani 1 1 d D . .
C111 C 0.1162(3) 0.1361(2) 0.3957(2) 0.0232(7) Uani 1 1 d D . .
C112 C 0.0126(3) 0.1451(3) 0.4068(2) 0.0312(8) Uani 1 1 d D . .
H112 H -0.0566 0.1093 0.3603 0.037 Uiso 1 1 calc R . .
C113 C 0.0110(4) 0.2073(3) 0.4870(3) 0.0414(9) Uani 1 1 d D . .
H113 H -0.0592 0.2148 0.4947 0.050 Uiso 1 1 calc R . .
C114 C 0.1112(4) 0.2579(3) 0.5549(3) 0.0445(10) Uani 1 1 d D . .
H114 H 0.1095 0.3004 0.6090 0.053 Uiso 1 1 calc R . .
C115 C 0.2137(4) 0.2477(3) 0.5454(2) 0.0416(9) Uani 1 1 d D . .
H115 H 0.2820 0.2822 0.5929 0.050 Uiso 1 1 calc R . .
C116 C 0.2166(3) 0.1863(3) 0.4657(2) 0.0321(8) Uani 1 1 d D . .
H116 H 0.2869 0.1786 0.4590 0.039 Uiso 1 1 calc R . .
C121 C -0.0123(3) -0.0375(2) 0.2360(2) 0.0216(7) Uani 1 1 d D . .
C122 C -0.0561(3) -0.0601(3) 0.1444(2) 0.0245(7) Uani 1 1 d D . .
H122 H -0.0114 -0.0189 0.1105 0.029 Uiso 1 1 calc R . .
C123 C -0.1646(3) -0.1426(3) 0.1024(2) 0.0295(8) Uani 1 1 d D . .
H123 H -0.1938 -0.1580 0.0399 0.035 Uiso 1 1 calc R . .
C124 C -0.2302(3) -0.2025(3) 0.1521(2) 0.0320(8) Uani 1 1 d D . .
H124 H -0.3053 -0.2576 0.1239 0.038 Uiso 1 1 calc R . .
C125 C -0.1863(3) -0.1818(3) 0.2426(3) 0.0326(8) Uani 1 1 d D . .
H125 H -0.2310 -0.2238 0.2761 0.039 Uiso 1 1 calc R . .
C126 C -0.0777(3) -0.1006(3) 0.2848(2) 0.0280(7) Uani 1 1 d D . .
H126 H -0.0477 -0.0877 0.3469 0.034 Uiso 1 1 calc R . .
C2 C 0.2350(3) 0.0134(3) 0.3103(2) 0.0235(7) Uani 1 1 d . . .
H2 H 0.2314 -0.0318 0.3501 0.028 Uiso 1 1 calc R . .
C3 C 0.3218(3) 0.0384(2) 0.2654(2) 0.0211(6) Uani 1 1 d D . .
C31 C 0.4144(3) -0.0054(2) 0.2764(2) 0.0223(7) Uani 1 1 d D . .
C32 C 0.4294(3) -0.0710(3) 0.2047(2) 0.0298(8) Uani 1 1 d D . .
H32 H 0.3829 -0.0853 0.1465 0.036 Uiso 1 1 calc R . .
C33 C 0.5119(3) -0.1154(3) 0.2182(3) 0.0371(9) Uani 1 1 d D . .
H33 H 0.5205 -0.1616 0.1695 0.045 Uiso 1 1 calc R . .
C34 C 0.5818(3) -0.0929(3) 0.3020(3) 0.0428(10) Uani 1 1 d D . .
H34 H 0.6384 -0.1235 0.3107 0.051 Uiso 1 1 calc R . .
C35 C 0.5699(4) -0.0260(4) 0.3732(3) 0.0485(11) Uani 1 1 d D . .
H35 H 0.6193 -0.0093 0.4307 0.058 Uiso 1 1 calc R . .
C36 C 0.4850(3) 0.0170(3) 0.3607(3) 0.0378(9) Uani 1 1 d D . .
H36 H 0.4755 0.0616 0.4099 0.045 Uiso 1 1 calc R . .
N4 N 0.3213(2) 0.1055(2) 0.21085(17) 0.0203(5) Uani 1 1 d . . .
N5 N 0.4092(2) 0.1385(2) 0.16660(17) 0.0199(5) Uani 1 1 d . . .
C6 C 0.3992(3) 0.2116(2) 0.1271(2) 0.0190(6) Uani 1 1 d D . .
C61 C 0.4849(3) 0.2589(2) 0.0771(2) 0.0198(6) Uani 1 1 d D . .
C62 C 0.5774(3) 0.2266(3) 0.0720(2) 0.0285(7) Uani 1 1 d D . .
H62 H 0.5853 0.1732 0.1008 0.034 Uiso 1 1 calc R . .
C63 C 0.6578(3) 0.2720(3) 0.0254(3) 0.0339(8) Uani 1 1 d D . .
H63 H 0.7208 0.2497 0.0226 0.041 Uiso 1 1 calc R . .
C64 C 0.6476(3) 0.3493(3) -0.0171(3) 0.0361(9) Uani 1 1 d D . .
H64 H 0.7029 0.3797 -0.0492 0.043 Uiso 1 1 calc R . .
C65 C 0.5563(3) 0.3824(3) -0.0127(2) 0.0321(8) Uani 1 1 d D . .
H65 H 0.5491 0.4357 -0.0418 0.039 Uiso 1 1 calc R . .
C66 C 0.4757(3) 0.3376(3) 0.0340(2) 0.0260(7) Uani 1 1 d D . .
H66 H 0.4133 0.3607 0.0369 0.031 Uiso 1 1 calc R . .
O6 O 0.31504(18) 0.25030(16) 0.12924(14) 0.0200(4) Uani 1 1 d . . .
P2 P 0.09574(6) 0.27265(6) 0.19140(5) 0.01668(15) Uani 1 1 d D . .
C211 C -0.0581(3) 0.1894(2) 0.1405(2) 0.0219(7) Uani 1 1 d D . .
C212 C -0.0909(3) 0.1412(3) 0.0495(2) 0.0283(7) Uani 1 1 d D . .
H212 H -0.0357 0.1597 0.0145 0.034 Uiso 1 1 calc R . .
C213 C -0.2043(3) 0.0659(3) 0.0097(3) 0.0375(9) Uani 1 1 d D . .
H213 H -0.2263 0.0328 -0.0523 0.045 Uiso 1 1 calc R . .
C214 C -0.2846(3) 0.0394(3) 0.0605(3) 0.0416(10) Uani 1 1 d D . .
H214 H -0.3619 -0.0122 0.0333 0.050 Uiso 1 1 calc R . .
C215 C -0.2533(3) 0.0873(3) 0.1503(3) 0.0376(9) Uani 1 1 d D . .
H215 H -0.3090 0.0686 0.1848 0.045 Uiso 1 1 calc R . .
C216 C -0.1405(3) 0.1627(3) 0.1905(2) 0.0286(7) Uani 1 1 d D . .
H216 H -0.1196 0.1962 0.2524 0.034 Uiso 1 1 calc R . .
C221 C 0.1058(3) 0.3644(2) 0.2938(2) 0.0212(6) Uani 1 1 d D . .
C222 C 0.0269(3) 0.4137(3) 0.3019(2) 0.0277(7) Uani 1 1 d D . .
H222 H -0.0377 0.3967 0.2535 0.033 Uiso 1 1 calc R . .
C223 C 0.0424(3) 0.4874(3) 0.3806(2) 0.0349(8) Uani 1 1 d D . .
H223 H -0.0112 0.5213 0.3855 0.042 Uiso 1 1 calc R . .
C224 C 0.1351(3) 0.5118(3) 0.4516(2) 0.0366(9) Uani 1 1 d D . .
H224 H 0.1453 0.5624 0.5053 0.044 Uiso 1 1 calc R . .
C225 C 0.2132(3) 0.4629(3) 0.4448(2) 0.0346(8) Uani 1 1 d D . .
H225 H 0.2768 0.4795 0.4940 0.042 Uiso 1 1 calc R . .
C226 C 0.1991(3) 0.3896(3) 0.3665(2) 0.0257(7) Uani 1 1 d D . .
H226 H 0.2533 0.3563 0.3622 0.031 Uiso 1 1 calc R . .
C7 C 0.1404(3) 0.3600(2) 0.1139(2) 0.0198(6) Uani 1 1 d . . .
H7A H 0.1971 0.3399 0.0859 0.024 Uiso 1 1 calc R . .
H7B H 0.0707 0.3436 0.0659 0.024 Uiso 1 1 calc R . .
C8 C 0.1943(3) 0.4804(2) 0.1550(2) 0.0200(6) Uani 1 1 d D . .
C81 C 0.1214(3) 0.5453(3) 0.1464(2) 0.0213(6) Uani 1 1 d D . .
C82 C 0.0010(3) 0.4971(3) 0.1126(2) 0.0282(7) Uani 1 1 d D . .
H82 H -0.0368 0.4206 0.0925 0.034 Uiso 1 1 calc R . .
C83 C -0.0648(3) 0.5603(3) 0.1078(3) 0.0346(8) Uani 1 1 d D . .
H83 H -0.1473 0.5265 0.0854 0.042 Uiso 1 1 calc R . .
C84 C -0.0108(3) 0.6713(3) 0.1353(3) 0.0388(9) Uani 1 1 d D . .
H84 H -0.0558 0.7140 0.1321 0.047 Uiso 1 1 calc R . .
C85 C 0.1091(4) 0.7203(3) 0.1676(3) 0.0406(9) Uani 1 1 d D . .
H85 H 0.1466 0.7969 0.1861 0.049 Uiso 1 1 calc R . .
C86 C 0.1746(3) 0.6582(3) 0.1733(2) 0.0291(7) Uani 1 1 d D . .
H86 H 0.2570 0.6927 0.1957 0.035 Uiso 1 1 calc R . .
N9 N 0.3019(2) 0.5347(2) 0.19739(18) 0.0234(6) Uani 1 1 d . . .
N10 N 0.3760(2) 0.4829(2) 0.21076(19) 0.0243(6) Uani 1 1 d . . .
H10 H 0.354(3) 0.414(3) 0.195(2) 0.029 Uiso 1 1 d . . .
C11 C 0.4941(3) 0.5450(3) 0.2431(2) 0.0267(7) Uani 1 1 d D . .
C12 C 0.5665(3) 0.4829(3) 0.2643(2) 0.0254(7) Uani 1 1 d D . .
C13 C 0.5322(3) 0.3986(3) 0.3055(2) 0.0303(8) Uani 1 1 d D . .
H13 H 0.4591 0.3782 0.3209 0.036 Uiso 1 1 calc R . .
C14 C 0.6040(3) 0.3444(3) 0.3240(2) 0.0356(8) Uani 1 1 d D . .
H14 H 0.5805 0.2874 0.3525 0.043 Uiso 1 1 calc R . .
C15 C 0.7091(3) 0.3733(3) 0.3011(3) 0.0385(9) Uani 1 1 d D . .
H15 H 0.7578 0.3355 0.3133 0.046 Uiso 1 1 calc R . .
C16 C 0.7451(3) 0.4574(3) 0.2603(3) 0.0388(9) Uani 1 1 d D . .
H16 H 0.8179 0.4770 0.2445 0.047 Uiso 1 1 calc R . .
C17 C 0.6745(3) 0.5123(3) 0.2429(2) 0.0311(8) Uani 1 1 d D . .
H17 H 0.6996 0.5708 0.2161 0.037 Uiso 1 1 calc R . .
O11 O 0.5361(2) 0.6427(2) 0.2535(2) 0.0408(7) Uani 1 1 d . . .
C1S C 0.3595(4) 0.7122(4) 0.3841(3) 0.0626(14) Uani 1 1 d . . .
H1S1 H 0.3024 0.6391 0.3502 0.075 Uiso 1 1 calc R . .
H1S2 H 0.3960 0.7498 0.3416 0.075 Uiso 1 1 calc R . .
Cl1 Cl 0.28586(16) 0.78407(12) 0.43530(12) 0.0893(5) Uani 1 1 d . . .
Cl2 Cl 0.46734(12) 0.70049(15) 0.46181(10) 0.0875(5) 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Pt O6 78.79(9) . . ?
N4 Pt P1 83.62(8) . . ?
O6 Pt P1 162.42(6) . . ?
N4 Pt P2 173.28(8) . . ?
O6 Pt P2 94.70(6) . . ?
P1 Pt P2 102.88(3) . . ?
C2 P1 C111 108.35(15) . . ?
C2 P1 C121 109.15(14) . . ?
C111 P1 C121 105.86(14) . . ?
C2 P1 Pt 100.21(11) . . ?
C111 P1 Pt 117.26(10) . . ?
C121 P1 Pt 115.58(11) . . ?
C112 C111 C116 119.6(3) . . ?
C112 C111 P1 122.2(3) . . ?
C116 C111 P1 117.9(2) . . ?
C111 C112 C113 119.6(3) . . ?
C111 C112 H112 120.2 . . ?
C113 C112 H112 120.2 . . ?
C114 C113 C112 120.0(4) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C115 C114 C113 121.0(4) . . ?
C115 C114 H114 119.5 . . ?
C113 C114 H114 119.5 . . ?
C114 C115 C116 119.5(4) . . ?
C114 C115 H115 120.2 . . ?
C116 C115 H115 120.2 . . ?
C115 C116 C111 120.2(3) . . ?
C115 C116 H116 119.9 . . ?
C111 C116 H116 119.9 . . ?
C122 C121 C126 119.2(3) . . ?
C122 C121 P1 119.7(2) . . ?
C126 C121 P1 121.1(2) . . ?
C123 C122 C121 120.5(3) . . ?
C123 C122 H122 119.7 . . ?
C121 C122 H122 119.7 . . ?
C124 C123 C122 119.7(3) . . ?
C124 C123 H123 120.1 . . ?
C122 C123 H123 120.1 . . ?
C125 C124 C123 120.0(3) . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C126 120.6(3) . . ?
C124 C125 H125 119.7 . . ?
C126 C125 H125 119.7 . . ?
C125 C126 C121 119.9(3) . . ?
C125 C126 H126 120.1 . . ?
C121 C126 H126 120.1 . . ?
C3 C2 P1 115.9(2) . . ?
C3 C2 H2 122.0 . . ?
P1 C2 H2 122.0 . . ?
N4 C3 C2 118.0(3) . . ?
N4 C3 C31 120.9(3) . . ?
C2 C3 C31 121.2(3) . . ?
C36 C31 C32 119.3(3) . . ?
C36 C31 C3 119.1(3) . . ?
C32 C31 C3 121.6(3) . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 120.4(4) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.2(3) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 119.8(4) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C31 C36 C35 120.2(4) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C3 N4 N5 121.3(2) . . ?
C3 N4 Pt 121.6(2) . . ?
N5 N4 Pt 116.57(18) . . ?
C6 N5 N4 111.0(2) . . ?
N5 C6 O6 124.3(3) . . ?
N5 C6 C61 119.9(3) . . ?
O6 C6 C61 115.9(3) . . ?
C62 C61 C66 118.4(3) . . ?
C62 C61 C6 120.8(3) . . ?
C66 C61 C6 120.8(3) . . ?
C63 C62 C61 120.3(3) . . ?
C63 C62 H62 119.8 . . ?
C61 C62 H62 119.8 . . ?
C64 C63 C62 120.7(3) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C63 C64 C65 119.8(3) . . ?
C63 C64 H64 120.1 . . ?
C65 C64 H64 120.1 . . ?
C66 C65 C64 119.9(3) . . ?
C66 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C66 C61 120.8(3) . . ?
C65 C66 H66 119.6 . . ?
C61 C66 H66 119.6 . . ?
C6 O6 Pt 109.34(18) . . ?
C221 P2 C211 108.08(14) . . ?
C221 P2 C7 105.29(14) . . ?
C211 P2 C7 103.88(14) . . ?
C221 P2 Pt 115.22(10) . . ?
C211 P2 Pt 113.84(10) . . ?
C7 P2 Pt 109.61(10) . . ?
C216 C211 C212 119.1(3) . . ?
C216 C211 P2 122.3(3) . . ?
C212 C211 P2 118.1(2) . . ?
C213 C212 C211 120.2(3) . . ?
C213 C212 H212 119.9 . . ?
C211 C212 H212 119.9 . . ?
C214 C213 C212 119.9(4) . . ?
C214 C213 H213 120.0 . . ?
C212 C213 H213 120.0 . . ?
C215 C214 C213 120.3(3) . . ?
C215 C214 H214 119.9 . . ?
C213 C214 H214 119.9 . . ?
C214 C215 C216 120.2(4) . . ?
C214 C215 H215 119.9 . . ?
C216 C215 H215 119.9 . . ?
C215 C216 C211 120.2(3) . . ?
C215 C216 H216 119.9 . . ?
C211 C216 H216 119.9 . . ?
C222 C221 C226 118.7(3) . . ?
C222 C221 P2 122.9(2) . . ?
C226 C221 P2 118.4(2) . . ?
C223 C222 C221 120.3(3) . . ?
C223 C222 H222 119.9 . . ?
C221 C222 H222 119.9 . . ?
C224 C223 C222 120.4(3) . . ?
C224 C223 H223 119.8 . . ?
C222 C223 H223 119.8 . . ?
C223 C224 C225 120.0(3) . . ?
C223 C224 H224 120.0 . . ?
C225 C224 H224 120.0 . . ?
C224 C225 C226 120.2(3) . . ?
C224 C225 H225 119.9 . . ?
C226 C225 H225 119.9 . . ?
C225 C226 C221 120.4(3) . . ?
C225 C226 H226 119.8 . . ?
C221 C226 H226 119.8 . . ?
C8 C7 P2 116.0(2) . . ?
C8 C7 H7A 108.3 . . ?
P2 C7 H7A 108.3 . . ?
C8 C7 H7B 108.3 . . ?
P2 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
N9 C8 C81 115.3(3) . . ?
N9 C8 C7 124.9(3) . . ?
C81 C8 C7 119.7(3) . . ?
C82 C81 C86 118.2(3) . . ?
C82 C81 C8 122.1(3) . . ?
C86 C81 C8 119.7(3) . . ?
C81 C82 C83 120.5(3) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C84 C83 C82 120.3(3) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C83 C84 C85 119.8(3) . . ?
C83 C84 H84 120.1 . . ?
C85 C84 H84 120.1 . . ?
C84 C85 C86 120.2(4) . . ?
C84 C85 H85 119.9 . . ?
C86 C85 H85 119.9 . . ?
C85 C86 C81 121.0(3) . . ?
C85 C86 H86 119.5 . . ?
C81 C86 H86 119.5 . . ?
C8 N9 N10 120.2(3) . . ?
N9 N10 C11 118.2(3) . . ?
N9 N10 H10 123(3) . . ?
C11 N10 H10 118(3) . . ?
O11 C11 N10 123.0(3) . . ?
O11 C11 C12 122.5(3) . . ?
N10 C11 C12 114.5(3) . . ?
C17 C12 C13 118.9(3) . . ?
C17 C12 C11 117.9(3) . . ?
C13 C12 C11 123.2(3) . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 119.6(4) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C12 120.6(4) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
Cl2 C1S Cl1 111.9(3) . . ?
Cl2 C1S H1S1 109.2 . . ?
Cl1 C1S H1S1 109.2 . . ?
Cl2 C1S H1S2 109.2 . . ?
Cl1 C1S H1S2 109.2 . . ?
H1S1 C1S H1S2 107.9 . . ?
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
Pt N4 1.985(2) . ?
Pt O6 2.050(2) . ?
Pt P1 2.2332(8) . ?
Pt P2 2.2609(8) . ?
P1 C2 1.777(3) . ?
P1 C111 1.818(3) . ?
P1 C121 1.819(3) . ?
C111 C112 1.391(4) . ?
C111 C116 1.398(5) . ?
C112 C113 1.399(5) . ?
C112 H112 0.9500 . ?
C113 C114 1.379(6) . ?
C113 H113 0.9500 . ?
C114 C115 1.378(6) . ?
C114 H114 0.9500 . ?
C115 C116 1.393(5) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C122 1.393(4) . ?
C121 C126 1.399(4) . ?
C122 C123 1.391(4) . ?
C122 H122 0.9500 . ?
C123 C124 1.388(5) . ?
C123 H123 0.9500 . ?
C124 C125 1.381(5) . ?
C124 H124 0.9500 . ?
C125 C126 1.386(5) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C2 C3 1.374(4) . ?
C2 H2 0.9500 . ?
C3 N4 1.365(4) . ?
C3 C31 1.489(4) . ?
C31 C36 1.389(5) . ?
C31 C32 1.395(5) . ?
C32 C33 1.385(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.378(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.395(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
N4 N5 1.389(4) . ?
N5 C6 1.299(4) . ?
C6 O6 1.346(4) . ?
C6 C61 1.472(4) . ?
C61 C62 1.395(4) . ?
C61 C66 1.399(4) . ?
C62 C63 1.383(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.379(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.384(5) . ?
C64 H64 0.9500 . ?
C65 C66 1.383(5) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
P2 C221 1.814(3) . ?
P2 C211 1.820(3) . ?
P2 C7 1.872(3) . ?
C211 C216 1.391(4) . ?
C211 C212 1.394(4) . ?
C212 C213 1.392(5) . ?
C212 H212 0.9500 . ?
C213 C214 1.380(5) . ?
C213 H213 0.9500 . ?
C214 C215 1.375(5) . ?
C214 H214 0.9500 . ?
C215 C216 1.388(5) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C222 1.394(4) . ?
C221 C226 1.397(4) . ?
C222 C223 1.389(5) . ?
C222 H222 0.9500 . ?
C223 C224 1.377(5) . ?
C223 H223 0.9500 . ?
C224 C225 1.380(5) . ?
C224 H224 0.9500 . ?
C225 C226 1.386(5) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
C7 C8 1.509(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N9 1.287(4) . ?
C8 C81 1.492(4) . ?
C81 C82 1.390(5) . ?
C81 C86 1.399(5) . ?
C82 C83 1.397(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.376(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.381(6) . ?
C84 H84 0.9500 . ?
C85 C86 1.382(5) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
N9 N10 1.371(4) . ?
N10 C11 1.381(4) . ?
N10 H10 0.85(4) . ?
C11 O11 1.218(4) . ?
C11 C12 1.489(5) . ?
C12 C17 1.393(5) . ?
C12 C13 1.393(5) . ?
C13 C14 1.386(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.371(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C1S Cl2 1.749(6) . ?
C1S Cl1 1.755(5) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
