#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:22:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179107 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/69/4306916.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_4306916
loop_
_publ_author_name
'Sean E. Durran'
'Mark R. J. Elsegood'
'Shelly R. Hammond'
'Martin B. Smith'
_publ_section_title
;
Coordination Studies of a New Unsymmetrical
κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and
Structural Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2755
_journal_page_last               2766
_journal_paper_doi               10.1021/ic061196s
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C35 H30 Cl2 N3 O3 P Pt'
_chemical_formula_weight         837.58
_chemical_name_systematic
;
 ?
;
_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 except H2 & H3 coords freely refined'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.757(2)
_cell_angle_beta                 107.033(2)
_cell_angle_gamma                90.723(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2631(4)
_cell_length_b                   12.6371(5)
_cell_length_c                   13.9101(5)
_cell_measurement_reflns_used    11031
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.01
_cell_measurement_theta_min      2.54
_cell_volume                     1621.93(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14573
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.01
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.580
_exptl_absorpt_correction_T_max  0.657
_exptl_absorpt_correction_T_min  0.406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03, Sheldrick, G.M., (2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         7543
_refine_ls_number_restraints     265
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0173
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0153P)²+1.0648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0377
_refine_ls_wR_factor_ref         0.0390
_reflns_number_gt                6999
_reflns_number_total             7543
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic061196ssi20060703_115123_3.cif
_cod_data_source_block           4a
_cod_database_code               4306916
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
Pt1 Pt 0.195890(8) 0.757025(7) 0.200479(6) 0.01743(3) Uani 1 1 d . . .
Cl1 Cl 0.09823(6) 0.81088(5) 0.33452(5) 0.02911(12) Uani 1 1 d . . .
Cl2 Cl -0.00363(5) 0.79712(5) 0.08289(4) 0.02650(12) Uani 1 1 d . . .
P1 P 0.37960(5) 0.71397(4) 0.30286(4) 0.01717(11) Uani 1 1 d . . .
N1 N 0.28636(18) 0.70964(14) 0.08319(13) 0.0172(3) Uani 1 1 d . . .
C1 C 0.5290(2) 0.78318(17) 0.29377(17) 0.0197(4) Uani 1 1 d . . .
C2 C 0.6481(2) 0.82676(19) 0.38039(19) 0.0261(5) Uani 1 1 d . . .
H2A H 0.6494 0.8284 0.4494 0.031 Uiso 1 1 calc R . .
C3 C 0.7655(2) 0.8681(2) 0.3663(2) 0.0326(6) Uani 1 1 d . . .
H3A H 0.8456 0.8993 0.4260 0.039 Uiso 1 1 calc R . .
C4 C 0.7654(2) 0.8635(2) 0.2657(2) 0.0315(5) Uani 1 1 d . . .
H4 H 0.8457 0.8909 0.2561 0.038 Uiso 1 1 calc R . .
C5 C 0.6485(2) 0.81910(19) 0.17904(19) 0.0257(5) Uani 1 1 d . . .
H5 H 0.6499 0.8144 0.1098 0.031 Uiso 1 1 calc R . .
C6 C 0.5280(2) 0.78082(18) 0.19145(17) 0.0207(4) Uani 1 1 d . . .
C7 C 0.4140(2) 0.72917(18) 0.09375(17) 0.0213(4) Uani 1 1 d . . .
H7 H 0.4370 0.7070 0.0293 0.026 Uiso 1 1 calc R . .
C8 C 0.2041(2) 0.64069(18) -0.02482(17) 0.0202(4) Uani 1 1 d . . .
C9 C 0.1853(3) 0.52518(19) -0.04918(19) 0.0282(5) Uani 1 1 d . . .
H9 H 0.2191 0.4930 0.0051 0.034 Uiso 1 1 calc R . .
C10 C 0.1165(3) 0.4568(2) -0.1533(2) 0.0315(5) Uani 1 1 d . . .
H10 H 0.1033 0.3775 -0.1709 0.038 Uiso 1 1 calc R . .
C11 C 0.0674(3) 0.5046(2) -0.23141(19) 0.0312(5) Uani 1 1 d . . .
H11 H 0.0210 0.4577 -0.3029 0.037 Uiso 1 1 calc R . .
C12 C 0.0849(2) 0.6200(2) -0.20671(18) 0.0267(5) Uani 1 1 d . . .
H12 H 0.0496 0.6520 -0.2609 0.032 Uiso 1 1 calc R . .
C13 C 0.1540(2) 0.68924(18) -0.10267(17) 0.0201(4) Uani 1 1 d . . .
N2 N 0.1707(2) 0.80866(16) -0.07627(15) 0.0217(4) Uani 1 1 d . . .
H2 H 0.121(3) 0.839(2) -0.053(2) 0.026 Uiso 1 1 d . . .
C14 C 0.2829(2) 0.86730(19) -0.07298(18) 0.0246(5) Uani 1 1 d . . .
O1 O 0.37989(19) 0.82417(15) -0.09702(16) 0.0392(5) Uani 1 1 d . . .
C15 C 0.2823(3) 0.9941(2) -0.0395(2) 0.0301(5) Uani 1 1 d . . .
H15A H 0.3772 1.0304 0.0015 0.036 Uiso 1 1 calc R . .
H15B H 0.2529 1.0152 -0.1047 0.036 Uiso 1 1 calc R . .
N3 N 0.1945(2) 1.03788(17) 0.02412(17) 0.0271(4) Uani 1 1 d . A .
H3 H 0.137(3) 1.069(2) 0.005(2) 0.033 Uiso 1 1 d . . .
C16 C 0.2288(3) 1.0374(2) 0.1250(2) 0.0363(6) Uani 1 1 d DU . .
O2 O 0.3252(2) 0.99420(16) 0.16450(15) 0.0490(5) Uani 1 1 d DU A .
O3 O 0.1269(5) 1.0830(3) 0.1692(3) 0.0343(9) Uani 0.698(6) 1 d PDU A 1
C17 C 0.1276(6) 1.0693(3) 0.2697(3) 0.0464(13) Uani 0.698(6) 1 d PDU A 1
H17A H 0.2101 1.0349 0.2972 0.056 Uiso 0.698(6) 1 calc PR A 1
H17B H 0.0455 1.0186 0.2574 0.056 Uiso 0.698(6) 1 calc PR A 1
C18 C 0.1274(3) 1.1818(2) 0.35050(19) 0.0299(5) Uani 1 1 d DU . .
C19 C 0.2217(5) 1.2699(4) 0.3795(4) 0.0337(10) Uani 0.698(6) 1 d PDU A 1
H19 H 0.2923 1.2626 0.3471 0.040 Uiso 0.698(6) 1 calc PR A 1
C20 C 0.2185(6) 1.3707(4) 0.4554(3) 0.0482(13) Uani 0.698(6) 1 d PDU A 1
H20 H 0.2887 1.4310 0.4768 0.058 Uiso 0.698(6) 1 calc PR A 1
C21 C 0.1142(8) 1.3848(5) 0.5004(5) 0.0501(16) Uani 0.698(6) 1 d PDU A 1
H21 H 0.1115 1.4550 0.5517 0.060 Uiso 0.698(6) 1 calc PR A 1
C22 C 0.0135(8) 1.2964(6) 0.4707(9) 0.048(2) Uani 0.698(6) 1 d PDU A 1
H22 H -0.0571 1.3050 0.5031 0.057 Uiso 0.698(6) 1 calc PR A 1
C23 C 0.0159(5) 1.1959(4) 0.3940(4) 0.0354(10) Uani 0.698(6) 1 d PDU A 1
H23 H -0.0560 1.1364 0.3700 0.042 Uiso 0.698(6) 1 calc PR A 1
O3X O 0.1777(10) 1.1112(7) 0.1875(7) 0.0292(19) Uani 0.302(6) 1 d PDU A 2
C17X C 0.2265(11) 1.1098(9) 0.2970(6) 0.038(2) Uani 0.302(6) 1 d PDU A 2
H17C H 0.3231 1.1443 0.3331 0.046 Uiso 0.302(6) 1 calc PR A 2
H17D H 0.2189 1.0321 0.2983 0.046 Uiso 0.302(6) 1 calc PR A 2
C19X C 0.1860(11) 1.2941(8) 0.4121(9) 0.035(2) Uani 0.302(6) 1 d PDU A 2
H19X H 0.2735 1.3231 0.4152 0.042 Uiso 0.302(6) 1 calc PR A 2
C20X C 0.1062(18) 1.3579(14) 0.4672(11) 0.057(4) Uani 0.302(6) 1 d PDU A 2
H20X H 0.1379 1.4348 0.5081 0.068 Uiso 0.302(6) 1 calc PR A 2
C21X C -0.0167(18) 1.3136(15) 0.465(2) 0.053(4) Uani 0.302(6) 1 d PDU A 2
H21X H -0.0719 1.3604 0.5005 0.064 Uiso 0.302(6) 1 calc PR A 2
C22X C -0.0616(12) 1.1996(11) 0.4097(9) 0.057(3) Uani 0.302(6) 1 d PDU A 2
H22X H -0.1448 1.1669 0.4107 0.069 Uiso 0.302(6) 1 calc PR A 2
C23X C 0.0161(9) 1.1359(10) 0.3544(10) 0.045(3) Uani 0.302(6) 1 d PDU A 2
H23X H -0.0114 1.0576 0.3185 0.054 Uiso 0.302(6) 1 calc PR A 2
C24 C 0.3942(2) 0.56493(17) 0.24824(16) 0.0187(4) Uani 1 1 d . . .
C25 C 0.5162(2) 0.52515(19) 0.23434(18) 0.0236(5) Uani 1 1 d . . .
H25 H 0.5970 0.5762 0.2576 0.028 Uiso 1 1 calc R . .
C26 C 0.5189(3) 0.4108(2) 0.18638(19) 0.0288(5) Uani 1 1 d . . .
H26 H 0.6015 0.3836 0.1764 0.035 Uiso 1 1 calc R . .
C27 C 0.4014(3) 0.3359(2) 0.15300(19) 0.0291(5) Uani 1 1 d . . .
H27 H 0.4038 0.2578 0.1198 0.035 Uiso 1 1 calc R . .
C28 C 0.2808(3) 0.37437(19) 0.16787(19) 0.0286(5) Uani 1 1 d . . .
H28 H 0.2011 0.3227 0.1462 0.034 Uiso 1 1 calc R . .
C29 C 0.2768(2) 0.48910(19) 0.21469(19) 0.0252(5) Uani 1 1 d . . .
H29 H 0.1936 0.5158 0.2238 0.030 Uiso 1 1 calc R . .
C30 C 0.3997(2) 0.74494(19) 0.44201(17) 0.0222(4) Uani 1 1 d . . .
C31 C 0.4106(3) 0.8561(2) 0.50886(19) 0.0326(6) Uani 1 1 d . . .
H31 H 0.4100 0.9154 0.4808 0.039 Uiso 1 1 calc R . .
C32 C 0.4223(3) 0.8809(2) 0.6158(2) 0.0426(7) Uani 1 1 d . . .
H32 H 0.4329 0.9570 0.6613 0.051 Uiso 1 1 calc R . .
C33 C 0.4184(3) 0.7945(3) 0.6565(2) 0.0407(7) Uani 1 1 d . . .
H33 H 0.4241 0.8112 0.7294 0.049 Uiso 1 1 calc R . .
C34 C 0.4064(3) 0.6843(2) 0.5908(2) 0.0405(7) Uani 1 1 d . . .
H34 H 0.4037 0.6252 0.6187 0.049 Uiso 1 1 calc R . .
C35 C 0.3983(3) 0.6591(2) 0.48429(19) 0.0301(5) Uani 1 1 d . . .
H35 H 0.3917 0.5829 0.4401 0.036 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'
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'
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
_geom_angle_publ_flag
N1 Pt1 P1 86.47(5) . . ?
N1 Pt1 Cl1 178.94(5) . . ?
P1 Pt1 Cl1 92.56(2) . . ?
N1 Pt1 Cl2 91.65(5) . . ?
P1 Pt1 Cl2 177.58(2) . . ?
Cl1 Pt1 Cl2 89.33(2) . . ?
C30 P1 C1 107.66(10) . . ?
C30 P1 C24 106.83(10) . . ?
C1 P1 C24 104.10(10) . . ?
C30 P1 Pt1 119.28(7) . . ?
C1 P1 Pt1 108.03(7) . . ?
C24 P1 Pt1 109.89(7) . . ?
C7 N1 C8 113.60(18) . . ?
C7 N1 Pt1 127.05(15) . . ?
C8 N1 Pt1 119.26(13) . . ?
C2 C1 C6 119.5(2) . . ?
C2 C1 P1 122.76(17) . . ?
C6 C1 P1 117.40(16) . . ?
C1 C2 C3 120.4(2) . . ?
C4 C3 C2 120.2(2) . . ?
C5 C4 C3 119.9(2) . . ?
C4 C5 C6 121.2(2) . . ?
C5 C6 C1 118.9(2) . . ?
C5 C6 C7 116.3(2) . . ?
C1 C6 C7 124.43(19) . . ?
N1 C7 C6 128.6(2) . . ?
C9 C8 C13 121.1(2) . . ?
C9 C8 N1 118.30(19) . . ?
C13 C8 N1 120.51(19) . . ?
C8 C9 C10 119.5(2) . . ?
C11 C10 C9 119.7(2) . . ?
C10 C11 C12 120.7(2) . . ?
C11 C12 C13 120.1(2) . . ?
C8 C13 C12 118.9(2) . . ?
C8 C13 N2 120.70(19) . . ?
C12 C13 N2 120.4(2) . . ?
C14 N2 C13 123.98(19) . . ?
O1 C14 N2 123.8(2) . . ?
O1 C14 C15 120.4(2) . . ?
N2 C14 C15 115.8(2) . . ?
N3 C15 C14 114.6(2) . . ?
C16 N3 C15 119.5(2) . . ?
O2 C16 O3X 118.5(5) . . ?
O2 C16 N3 123.9(3) . . ?
O3X C16 N3 115.1(5) . . ?
O2 C16 O3 127.3(3) . . ?
N3 C16 O3 108.4(3) . . ?
C16 O3 C17 117.7(4) . . ?
O3 C17 C18 109.9(3) . . ?
C23X C18 C19 151.7(6) . . ?
C23X C18 C19X 123.9(7) . . ?
C19 C18 C23 118.9(3) . . ?
C19X C18 C23 91.2(5) . . ?
C23X C18 C17 84.7(6) . . ?
C19 C18 C17 123.6(3) . . ?
C19X C18 C17 151.3(5) . . ?
C23 C18 C17 117.5(3) . . ?
C23X C18 C17X 121.8(7) . . ?
C19 C18 C17X 86.1(5) . . ?
C19X C18 C17X 112.9(6) . . ?
C23 C18 C17X 153.4(5) . . ?
C18 C19 C20 121.4(4) . . ?
C19 C20 C21 120.4(5) . . ?
C20 C21 C22 119.8(5) . . ?
C23 C22 C21 119.7(6) . . ?
C22 C23 C18 119.6(5) . . ?
C16 O3X C17X 111.6(8) . . ?
O3X C17X C18 102.7(6) . . ?
C20X C19X C18 114.7(10) . . ?
C21X C20X C19X 121.7(14) . . ?
C20X C21X C22X 119.9(14) . . ?
C23X C22X C21X 118.8(12) . . ?
C18 C23X C22X 120.3(10) . . ?
C29 C24 C25 119.6(2) . . ?
C29 C24 P1 117.94(16) . . ?
C25 C24 P1 122.39(17) . . ?
C26 C25 C24 119.7(2) . . ?
C25 C26 C27 120.3(2) . . ?
C28 C27 C26 120.3(2) . . ?
C27 C28 C29 119.7(2) . . ?
C28 C29 C24 120.3(2) . . ?
C35 C30 C31 118.7(2) . . ?
C35 C30 P1 121.03(18) . . ?
C31 C30 P1 120.17(17) . . ?
C32 C31 C30 120.7(2) . . ?
C33 C32 C31 119.9(3) . . ?
C34 C33 C32 119.7(2) . . ?
C33 C34 C35 120.6(2) . . ?
C34 C35 C30 120.2(2) . . ?
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 N1 2.0385(17) . ?
Pt1 P1 2.1977(5) . ?
Pt1 Cl1 2.2891(5) . ?
Pt1 Cl2 2.3921(5) . ?
P1 C30 1.794(2) . ?
P1 C1 1.812(2) . ?
P1 C24 1.817(2) . ?
N1 C7 1.286(3) . ?
N1 C8 1.458(3) . ?
C1 C2 1.393(3) . ?
C1 C6 1.411(3) . ?
C2 C3 1.397(3) . ?
C3 C4 1.382(4) . ?
C4 C5 1.381(3) . ?
C5 C6 1.399(3) . ?
C6 C7 1.456(3) . ?
C8 C9 1.385(3) . ?
C8 C13 1.387(3) . ?
C9 C10 1.387(3) . ?
C10 C11 1.382(4) . ?
C11 C12 1.382(3) . ?
C12 C13 1.390(3) . ?
C13 N2 1.429(3) . ?
N2 C14 1.343(3) . ?
C14 O1 1.221(3) . ?
C14 C15 1.519(3) . ?
C15 N3 1.437(3) . ?
N3 C16 1.345(3) . ?
C16 O2 1.212(3) . ?
C16 O3X 1.287(9) . ?
C16 O3 1.402(5) . ?
O3 C17 1.462(5) . ?
C17 C18 1.502(4) . ?
C18 C23X 1.298(9) . ?
C18 C19 1.340(5) . ?
C18 C19X 1.416(10) . ?
C18 C23 1.431(5) . ?
C18 C17X 1.564(8) . ?
C19 C20 1.377(6) . ?
C20 C21 1.377(9) . ?
C21 C22 1.382(11) . ?
C22 C23 1.378(9) . ?
O3X C17X 1.464(11) . ?
C19X C20X 1.377(15) . ?
C20X C21X 1.36(2) . ?
C21X C22X 1.394(19) . ?
C22X C23X 1.360(13) . ?
C24 C29 1.394(3) . ?
C24 C25 1.397(3) . ?
C25 C26 1.388(3) . ?
C26 C27 1.388(3) . ?
C27 C28 1.382(3) . ?
C28 C29 1.392(3) . ?
C30 C35 1.392(3) . ?
C30 C31 1.395(3) . ?
C31 C32 1.386(3) . ?
C32 C33 1.386(4) . ?
C33 C34 1.379(4) . ?
C34 C35 1.388(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 N3 0.73(3) 2.40(3) 2.753(3) 111(2) .
N2 H2 Cl2 0.73(3) 2.75(3) 3.263(2) 130(3) .
N3 H3 Cl2 0.75(3) 2.58(3) 3.285(2) 159(3) 2_575
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pt1 P1 C30 173.57(10) . . . . ?
Cl1 Pt1 P1 C30 -6.00(9) . . . . ?
N1 Pt1 P1 C1 50.31(9) . . . . ?
Cl1 Pt1 P1 C1 -129.26(8) . . . . ?
N1 Pt1 P1 C24 -62.66(9) . . . . ?
Cl1 Pt1 P1 C24 117.77(7) . . . . ?
P1 Pt1 N1 C7 -39.88(17) . . . . ?
Cl2 Pt1 N1 C7 141.64(17) . . . . ?
P1 Pt1 N1 C8 136.39(14) . . . . ?
Cl2 Pt1 N1 C8 -42.09(14) . . . . ?
C30 P1 C1 C2 14.1(2) . . . . ?
C24 P1 C1 C2 -99.04(19) . . . . ?
Pt1 P1 C1 C2 144.18(17) . . . . ?
C30 P1 C1 C6 -173.00(16) . . . . ?
C24 P1 C1 C6 73.84(18) . . . . ?
Pt1 P1 C1 C6 -42.94(17) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
P1 C1 C2 C3 172.88(18) . . . . ?
C1 C2 C3 C4 -1.5(4) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C3 C4 C5 C6 1.6(4) . . . . ?
C4 C5 C6 C1 -3.0(3) . . . . ?
C4 C5 C6 C7 -176.2(2) . . . . ?
C2 C1 C6 C5 2.1(3) . . . . ?
P1 C1 C6 C5 -171.05(16) . . . . ?
C2 C1 C6 C7 174.7(2) . . . . ?
P1 C1 C6 C7 1.6(3) . . . . ?
C8 N1 C7 C6 -170.8(2) . . . . ?
Pt1 N1 C7 C6 5.7(3) . . . . ?
C5 C6 C7 N1 -163.5(2) . . . . ?
C1 C6 C7 N1 23.7(4) . . . . ?
C7 N1 C8 C9 92.7(2) . . . . ?
Pt1 N1 C8 C9 -84.1(2) . . . . ?
C7 N1 C8 C13 -83.2(2) . . . . ?
Pt1 N1 C8 C13 100.1(2) . . . . ?
C13 C8 C9 C10 0.8(4) . . . . ?
N1 C8 C9 C10 -175.1(2) . . . . ?
C8 C9 C10 C11 -0.2(4) . . . . ?
C9 C10 C11 C12 -0.6(4) . . . . ?
C10 C11 C12 C13 0.8(4) . . . . ?
C9 C8 C13 C12 -0.5(3) . . . . ?
N1 C8 C13 C12 175.18(19) . . . . ?
C9 C8 C13 N2 178.3(2) . . . . ?
N1 C8 C13 N2 -6.0(3) . . . . ?
C11 C12 C13 C8 -0.2(3) . . . . ?
C11 C12 C13 N2 -179.1(2) . . . . ?
C8 C13 N2 C14 85.6(3) . . . . ?
C12 C13 N2 C14 -95.6(3) . . . . ?
C13 N2 C14 O1 3.5(4) . . . . ?
C13 N2 C14 C15 -178.0(2) . . . . ?
O1 C14 C15 N3 -157.2(2) . . . . ?
N2 C14 C15 N3 24.3(3) . . . . ?
C14 C15 N3 C16 70.1(3) . . . . ?
C15 N3 C16 O2 -5.8(4) . . . . ?
C15 N3 C16 O3X 155.8(5) . . . . ?
C15 N3 C16 O3 -179.4(3) . . . . ?
O2 C16 O3 C17 -5.9(5) . . . . ?
O3X C16 O3 C17 -82.1(14) . . . . ?
N3 C16 O3 C17 167.4(3) . . . . ?
C16 O3 C17 C18 126.9(4) . . . . ?
O3 C17 C18 C23X 122.6(6) . . . . ?
O3 C17 C18 C19 -55.7(6) . . . . ?
O3 C17 C18 C19X -57.7(12) . . . . ?
O3 C17 C18 C23 120.9(4) . . . . ?
O3 C17 C18 C17X -76.4(6) . . . . ?
C23X C18 C19 C20 4.6(14) . . . . ?
C19X C18 C19 C20 -0.9(10) . . . . ?
C23 C18 C19 C20 4.5(6) . . . . ?
C17 C18 C19 C20 -178.9(4) . . . . ?
C17X C18 C19 C20 -165.9(5) . . . . ?
C18 C19 C20 C21 -2.6(8) . . . . ?
C19 C20 C21 C22 1.2(10) . . . . ?
C20 C21 C22 C23 -1.9(12) . . . . ?
C21 C22 C23 C18 3.8(11) . . . . ?
C23X C18 C23 C22 174.9(13) . . . . ?
C19 C18 C23 C22 -5.1(7) . . . . ?
C19X C18 C23 C22 -2.6(8) . . . . ?
C17 C18 C23 C22 178.0(6) . . . . ?
C17X C18 C23 C22 153.0(9) . . . . ?
O2 C16 O3X C17X -13.8(9) . . . . ?
N3 C16 O3X C17X -176.5(6) . . . . ?
O3 C16 O3X C17X 104.7(16) . . . . ?
C16 O3X C17X C18 -166.8(7) . . . . ?
C23X C18 C17X O3X 93.3(9) . . . . ?
C19 C18 C17X O3X -92.1(7) . . . . ?
C19X C18 C17X O3X -99.6(8) . . . . ?
C23 C18 C17X O3X 107.0(9) . . . . ?
C17 C18 C17X O3X 70.8(6) . . . . ?
C23X C18 C19X C20X -8.4(15) . . . . ?
C19 C18 C19X C20X 169(2) . . . . ?
C23 C18 C19X C20X -6.8(12) . . . . ?
C17 C18 C19X C20X 172.0(10) . . . . ?
C17X C18 C19X C20X -175.2(11) . . . . ?
C18 C19X C20X C21X 2(2) . . . . ?
C19X C20X C21X C22X 3(3) . . . . ?
C20X C21X C22X C23X -4(3) . . . . ?
C19 C18 C23X C22X 5.4(19) . . . . ?
C19X C18 C23X C22X 8.4(14) . . . . ?
C23 C18 C23X C22X 5.5(6) . . . . ?
C17 C18 C23X C22X -171.8(11) . . . . ?
C17X C18 C23X C22X 174.1(8) . . . . ?
C21X C22X C23X C18 -2.2(19) . . . . ?
C30 P1 C24 C29 84.90(19) . . . . ?
C1 P1 C24 C29 -161.35(17) . . . . ?
Pt1 P1 C24 C29 -45.86(18) . . . . ?
C30 P1 C24 C25 -98.23(19) . . . . ?
C1 P1 C24 C25 15.5(2) . . . . ?
Pt1 P1 C24 C25 131.01(17) . . . . ?
C29 C24 C25 C26 0.6(3) . . . . ?
P1 C24 C25 C26 -176.20(17) . . . . ?
C24 C25 C26 C27 -0.5(3) . . . . ?
C25 C26 C27 C28 -0.5(4) . . . . ?
C26 C27 C28 C29 1.3(4) . . . . ?
C27 C28 C29 C24 -1.1(4) . . . . ?
C25 C24 C29 C28 0.2(3) . . . . ?
P1 C24 C29 C28 177.14(18) . . . . ?
C1 P1 C30 C35 -122.4(2) . . . . ?
C24 P1 C30 C35 -11.1(2) . . . . ?
Pt1 P1 C30 C35 114.15(18) . . . . ?
C1 P1 C30 C31 60.6(2) . . . . ?
C24 P1 C30 C31 171.93(19) . . . . ?
Pt1 P1 C30 C31 -62.8(2) . . . . ?
C35 C30 C31 C32 1.1(4) . . . . ?
P1 C30 C31 C32 178.2(2) . . . . ?
C30 C31 C32 C33 -2.2(4) . . . . ?
C31 C32 C33 C34 1.6(5) . . . . ?
C32 C33 C34 C35 0.1(5) . . . . ?
C33 C34 C35 C30 -1.1(4) . . . . ?
C31 C30 C35 C34 0.5(4) . . . . ?
P1 C30 C35 C34 -176.5(2) . . . . ?
