#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:59:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179946 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/41/7024197.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_7024197
loop_
_publ_author_name
'Fernández-Anca, Damián'
'García-Seijo, M Inés'
'García-Fernández, M Esther'
_publ_section_title
;
 Tripodal polyphosphine ligands as inductors of chelate ring-opening
 processes in mononuclear palladium(II) and platinum(II) compounds. The
 X-ray crystal structure of two derivatives containing dangling
 phosphorus.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2327
_journal_page_last               2336
_journal_paper_doi               10.1039/b912678c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C86 H84 Cl6 N2 O6 P8 Pt'
_chemical_formula_weight         1897.10
_chemical_name_systematic
;
[Pt(PP3)2](NO3)2.2CHCl3
;
_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                103.192(2)
_cell_angle_beta                 105.354(2)
_cell_angle_gamma                112.810(2)
_cell_formula_units_Z            1
_cell_length_a                   12.9530(18)
_cell_length_b                   13.2829(18)
_cell_length_c                   15.424(2)
_cell_measurement_reflns_used    2372
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.21
_cell_measurement_theta_min      2.81
_cell_volume                     2189.4(5)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_data_reduction        'BRUKER Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0944
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15829
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.983
_exptl_absorpt_correction_T_max  0.8903
_exptl_absorpt_correction_T_min  0.5970
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         8696
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.878
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0391
_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)+(0.0264P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                6896
_reflns_number_total             8696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912678c.txt
_cod_data_source_block           PtNO3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2189.5(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024197
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
Pt1 Pt 0.5000 0.0000 0.0000 0.02696(8) Uani 1 2 d S
P1 P 0.66465(9) 0.11699(8) -0.02856(8) 0.0300(3) Uani 1 1 d .
P2 P 0.39232(9) 0.05534(9) -0.10743(8) 0.0309(3) Uani 1 1 d .
P3 P 0.70561(10) -0.09543(10) -0.26548(9) 0.0421(3) Uani 1 1 d .
P4 P 1.02370(10) 0.44274(9) 0.15269(9) 0.0413(3) Uani 1 1 d .
Cl2 Cl 0.2779(2) 0.2557(2) 0.62690(17) 0.1442(8) Uani 1 1 d .
Cl3 Cl 0.2076(3) 0.2426(2) 0.78362(16) 0.1674(11) Uani 1 1 d .
C7 C 0.2714(3) 0.0797(3) -0.0862(3) 0.0328(10) Uani 1 1 d .
Cl1 Cl 0.0484(2) 0.2295(4) 0.6139(2) 0.264(2) Uani 1 1 d .
C3 C 0.7295(3) 0.0410(3) -0.0900(3) 0.0344(10) Uani 1 1 d .
H3A H 0.7842 0.0943 -0.1107 0.041 Uiso 1 1 calc R
H3B H 0.7776 0.0208 -0.0442 0.041 Uiso 1 1 calc R
C29 C 0.8192(8) 0.2201(6) -0.2970(6) 0.106(3) Uani 1 1 d .
H29 H 0.8936 0.2869 -0.2768 0.128 Uiso 1 1 calc R
C13 C 0.3280(3) -0.0438(3) -0.2317(3) 0.0362(10) Uani 1 1 d .
C18 C 0.3151(3) -0.1560(4) -0.2541(3) 0.0429(11) Uani 1 1 d .
H18 H 0.3390 -0.1814 -0.2047 0.051 Uiso 1 1 calc R
C5 C 0.7948(3) 0.2411(3) 0.0764(3) 0.0353(10) Uani 1 1 d .
H5A H 0.7707 0.2990 0.0998 0.042 Uiso 1 1 calc R
H5B H 0.8167 0.2132 0.1277 0.042 Uiso 1 1 calc R
C1 C 0.6125(3) 0.1832(4) -0.1108(3) 0.0401(11) Uani 1 1 d .
H1A H 0.6782 0.2604 -0.0960 0.048 Uiso 1 1 calc R
H1B H 0.5902 0.1347 -0.1770 0.048 Uiso 1 1 calc R
C2 C 0.5033(3) 0.1949(3) -0.1012(3) 0.0373(10) Uani 1 1 d .
H2A H 0.4674 0.2160 -0.1531 0.045 Uiso 1 1 calc R
H2B H 0.5290 0.2563 -0.0399 0.045 Uiso 1 1 calc R
C31 C 1.1524(4) 0.4654(3) 0.1165(4) 0.0419(11) Uani 1 1 d .
C25 C 0.7051(4) 0.0232(4) -0.3072(3) 0.0473(12) Uani 1 1 d .
C4 C 0.6358(3) -0.0715(3) -0.1784(3) 0.0379(10) Uani 1 1 d .
H4A H 0.5647 -0.0639 -0.2085 0.045 Uiso 1 1 calc R
H4B H 0.6100 -0.1382 -0.1583 0.045 Uiso 1 1 calc R
C37 C 1.0577(4) 0.3939(4) 0.2528(3) 0.0409(11) Uani 1 1 d .
C12 C 0.1499(4) -0.0037(4) -0.1426(3) 0.0422(11) Uani 1 1 d .
H12 H 0.1301 -0.0697 -0.1940 0.051 Uiso 1 1 calc R
C26 C 0.5995(5) 0.0232(4) -0.3571(3) 0.0615(14) Uani 1 1 d .
H26 H 0.5245 -0.0430 -0.3778 0.074 Uiso 1 1 calc R
C11 C 0.0593(4) 0.0129(4) -0.1212(4) 0.0577(14) Uani 1 1 d .
H11 H -0.0218 -0.0430 -0.1580 0.069 Uiso 1 1 calc R
C10 C 0.0874(4) 0.1101(4) -0.0470(4) 0.0612(15) Uani 1 1 d .
H10 H 0.0254 0.1203 -0.0336 0.073 Uiso 1 1 calc R
C34 C 1.3472(5) 0.5088(4) 0.0593(5) 0.0708(18) Uani 1 1 d .
H34 H 1.4121 0.5217 0.0403 0.085 Uiso 1 1 calc R
C9 C 0.2073(4) 0.1938(4) 0.0085(4) 0.0529(13) Uani 1 1 d .
H9 H 0.2260 0.2606 0.0586 0.063 Uiso 1 1 calc R
C8 C 0.2988(4) 0.1782(4) -0.0105(3) 0.0412(11) Uani 1 1 d .
H8 H 0.3796 0.2340 0.0276 0.049 Uiso 1 1 calc R
C32 C 1.1369(4) 0.4544(4) 0.0226(4) 0.0538(13) Uani 1 1 d .
H32 H 1.0601 0.4315 -0.0222 0.065 Uiso 1 1 calc R
C42 C 1.0985(4) 0.3121(4) 0.2526(4) 0.0567(14) Uani 1 1 d .
H42 H 1.1136 0.2811 0.1998 0.068 Uiso 1 1 calc R
C6 C 0.9065(3) 0.3003(3) 0.0544(3) 0.0389(11) Uani 1 1 d .
H6A H 0.8815 0.3133 -0.0053 0.047 Uiso 1 1 calc R
H6B H 0.9417 0.2483 0.0448 0.047 Uiso 1 1 calc R
C36 C 1.2682(4) 0.5010(4) 0.1819(4) 0.0577(14) Uani 1 1 d .
H36 H 1.2820 0.5113 0.2464 0.069 Uiso 1 1 calc R
C24 C 0.5740(5) -0.2445(4) -0.4587(4) 0.0650(15) Uani 1 1 d .
H24 H 0.6304 -0.1858 -0.4703 0.078 Uiso 1 1 calc R
C30 C 0.8155(5) 0.1224(4) -0.2783(4) 0.0705(16) Uani 1 1 d .
H30 H 0.8877 0.1232 -0.2460 0.085 Uiso 1 1 calc R
C19 C 0.5809(4) -0.2269(4) -0.3657(3) 0.0441(11) Uani 1 1 d .
C38 C 1.0367(4) 0.4389(5) 0.3321(4) 0.0684(15) Uani 1 1 d .
H38 H 1.0091 0.4941 0.3336 0.082 Uiso 1 1 calc R
C17 C 0.2671(4) -0.2305(4) -0.3496(4) 0.0624(14) Uani 1 1 d .
H17 H 0.2573 -0.3064 -0.3643 0.075 Uiso 1 1 calc R
C20 C 0.4987(5) -0.3175(4) -0.3516(4) 0.0708(16) Uani 1 1 d .
H20 H 0.5027 -0.3103 -0.2893 0.085 Uiso 1 1 calc R
C40 C 1.0961(5) 0.3209(7) 0.4065(5) 0.092(2) Uani 1 1 d .
H40 H 1.1087 0.2961 0.4583 0.110 Uiso 1 1 calc R
C23 C 0.4857(5) -0.3466(5) -0.5354(4) 0.0812(18) Uani 1 1 d .
H23 H 0.4826 -0.3556 -0.5977 0.097 Uiso 1 1 calc R
C22 C 0.4041(5) -0.4332(5) -0.5203(5) 0.0823(19) Uani 1 1 d .
H22 H 0.3441 -0.5019 -0.5722 0.099 Uiso 1 1 calc R
C33 C 1.2335(5) 0.4769(4) -0.0071(4) 0.0689(16) Uani 1 1 d .
H33 H 1.2217 0.4704 -0.0707 0.083 Uiso 1 1 calc R
C27 C 0.6048(7) 0.1208(6) -0.3762(4) 0.090(2) Uani 1 1 d .
H27 H 0.5336 0.1201 -0.4107 0.108 Uiso 1 1 calc R
C100 C 0.1958(5) 0.2897(6) 0.6897(4) 0.0881(19) Uani 1 1 d .
C14 C 0.2918(4) -0.0086(4) -0.3064(3) 0.0587(14) Uani 1 1 d .
H14 H 0.2986 0.0662 -0.2923 0.070 Uiso 1 1 calc R
C35 C 1.3629(5) 0.5211(4) 0.1517(5) 0.0735(17) Uani 1 1 d .
H35 H 1.4397 0.5438 0.1963 0.088 Uiso 1 1 calc R
C28 C 0.7144(9) 0.2186(6) -0.3449(5) 0.109(3) Uani 1 1 d .
H28 H 0.7172 0.2851 -0.3565 0.131 Uiso 1 1 calc R
C15 C 0.2459(5) -0.0819(6) -0.4014(4) 0.0801(18) Uani 1 1 d .
H15 H 0.2230 -0.0566 -0.4512 0.096 Uiso 1 1 calc R
C39 C 1.0562(6) 0.4028(7) 0.4094(5) 0.101(2) Uani 1 1 d .
H39 H 1.0425 0.4339 0.4630 0.122 Uiso 1 1 calc R
C21 C 0.4094(5) -0.4201(5) -0.4296(5) 0.0848(19) Uani 1 1 d .
H21 H 0.3529 -0.4801 -0.4191 0.102 Uiso 1 1 calc R
C16 C 0.2341(5) -0.1932(5) -0.4220(4) 0.0770(17) Uani 1 1 d .
H16 H 0.2032 -0.2433 -0.4862 0.092 Uiso 1 1 calc R
C41 C 1.1173(5) 0.2755(5) 0.3291(5) 0.0739(17) Uani 1 1 d .
H41 H 1.1444 0.2199 0.3278 0.089 Uiso 1 1 calc R
N01 N 0.3628(5) 0.6046(5) 0.8230(4) 0.0661(13) Uani 1 1 d .
O1 O 0.4117(4) 0.7037(4) 0.8663(3) 0.0912(13) Uani 1 1 d .
O2 O 0.2572(5) 0.5542(4) 0.7600(4) 0.144(2) Uani 1 1 d .
O3 O 0.4067(5) 0.5437(5) 0.8320(5) 0.185(3) 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'
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'
Cl Cl 0.1484 0.1585 '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
P2 Pt1 P2 180.00(5) . 2_655
P2 Pt1 P1 83.97(4) . .
P2 Pt1 P1 96.03(4) 2_655 .
P2 Pt1 P1 96.03(4) . 2_655
P2 Pt1 P1 83.97(4) 2_655 2_655
P1 Pt1 P1 180.00(5) . 2_655
C3 P1 C5 105.15(17) . .
C3 P1 C1 103.90(19) . .
C5 P1 C1 105.16(18) . .
C3 P1 Pt1 115.93(13) . .
C5 P1 Pt1 117.09(13) . .
C1 P1 Pt1 108.34(13) . .
C13 P2 C7 106.49(18) . .
C13 P2 C2 105.9(2) . .
C7 P2 C2 106.03(17) . .
C13 P2 Pt1 113.21(13) . .
C7 P2 Pt1 118.49(13) . .
C2 P2 Pt1 105.79(13) . .
C19 P3 C25 102.9(2) . .
C19 P3 C4 102.63(19) . .
C25 P3 C4 96.67(19) . .
C37 P4 C31 103.2(2) . .
C37 P4 C6 100.28(19) . .
C31 P4 C6 99.24(19) . .
C8 C7 C12 119.4(4) . .
C8 C7 P2 120.3(3) . .
C12 C7 P2 120.2(3) . .
C4 C3 P1 114.6(3) . .
C4 C3 H3A 108.6 . .
P1 C3 H3A 108.6 . .
C4 C3 H3B 108.6 . .
P1 C3 H3B 108.6 . .
H3A C3 H3B 107.6 . .
C28 C29 C30 119.9(7) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C14 C13 C18 118.5(4) . .
C14 C13 P2 120.5(3) . .
C18 C13 P2 120.9(3) . .
C13 C18 C17 120.4(4) . .
C13 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C6 C5 P1 113.5(3) . .
C6 C5 H5A 108.9 . .
P1 C5 H5A 108.9 . .
C6 C5 H5B 108.9 . .
P1 C5 H5B 108.9 . .
H5A C5 H5B 107.7 . .
C2 C1 P1 110.9(3) . .
C2 C1 H1A 109.5 . .
P1 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
P1 C1 H1B 109.5 . .
H1A C1 H1B 108.0 . .
C1 C2 P2 108.7(3) . .
C1 C2 H2A 109.9 . .
P2 C2 H2A 109.9 . .
C1 C2 H2B 109.9 . .
P2 C2 H2B 109.9 . .
H2A C2 H2B 108.3 . .
C32 C31 C36 117.9(4) . .
C32 C31 P4 119.5(4) . .
C36 C31 P4 122.5(4) . .
C26 C25 C30 118.7(5) . .
C26 C25 P3 123.1(4) . .
C30 C25 P3 117.9(4) . .
C3 C4 P3 109.0(3) . .
C3 C4 H4A 109.9 . .
P3 C4 H4A 109.9 . .
C3 C4 H4B 109.9 . .
P3 C4 H4B 109.9 . .
H4A C4 H4B 108.3 . .
C38 C37 C42 118.4(5) . .
C38 C37 P4 117.3(4) . .
C42 C37 P4 124.3(4) . .
C11 C12 C7 119.3(4) . .
C11 C12 H12 120.4 . .
C7 C12 H12 120.4 . .
C27 C26 C25 120.2(6) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C10 C11 C12 120.8(4) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C11 C10 C9 120.4(4) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C35 C34 C33 119.4(5) . .
C35 C34 H34 120.3 . .
C33 C34 H34 120.3 . .
C8 C9 C10 119.9(4) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C9 C8 C7 120.3(4) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C31 C32 C33 121.6(5) . .
C31 C32 H32 119.2 . .
C33 C32 H32 119.2 . .
C41 C42 C37 121.2(5) . .
C41 C42 H42 119.4 . .
C37 C42 H42 119.4 . .
C5 C6 P4 112.4(3) . .
C5 C6 H6A 109.1 . .
P4 C6 H6A 109.1 . .
C5 C6 H6B 109.1 . .
P4 C6 H6B 109.1 . .
H6A C6 H6B 107.9 . .
C35 C36 C31 120.2(5) . .
C35 C36 H36 119.9 . .
C31 C36 H36 119.9 . .
C23 C24 C19 121.8(5) . .
C23 C24 H24 119.1 . .
C19 C24 H24 119.1 . .
C29 C30 C25 120.4(6) . .
C29 C30 H30 119.8 . .
C25 C30 H30 119.8 . .
C20 C19 C24 117.0(5) . .
C20 C19 P3 122.3(4) . .
C24 C19 P3 120.3(4) . .
C37 C38 C39 120.6(6) . .
C37 C38 H38 119.7 . .
C39 C38 H38 119.7 . .
C16 C17 C18 120.1(5) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C20 C21 120.7(5) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C41 C40 C39 120.9(6) . .
C41 C40 H40 119.6 . .
C39 C40 H40 119.6 . .
C22 C23 C24 120.2(6) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C22 C21 119.8(6) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C34 C33 C32 119.1(6) . .
C34 C33 H33 120.5 . .
C32 C33 H33 120.5 . .
C26 C27 C28 120.0(7) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
Cl3 C100 Cl1 110.9(4) . .
Cl3 C100 Cl2 110.6(3) . .
Cl1 C100 Cl2 110.0(4) . .
C13 C14 C15 121.2(5) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C34 C35 C36 121.8(5) . .
C34 C35 H35 119.1 . .
C36 C35 H35 119.1 . .
C29 C28 C27 120.8(7) . .
C29 C28 H28 119.6 . .
C27 C28 H28 119.6 . .
C14 C15 C16 119.3(5) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C40 C39 C38 119.5(6) . .
C40 C39 H39 120.3 . .
C38 C39 H39 120.3 . .
C22 C21 C20 120.4(6) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C17 C16 C15 120.5(5) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C40 C41 C42 119.5(6) . .
C40 C41 H41 120.2 . .
C42 C41 H41 120.2 . .
O1 N01 O3 124.0(6) . .
O1 N01 O2 121.1(5) . .
O3 N01 O2 114.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P2 2.3149(10) .
Pt1 P2 2.3149(10) 2_655
Pt1 P1 2.3234(10) .
Pt1 P1 2.3234(10) 2_655
P1 C3 1.807(4) .
P1 C5 1.834(4) .
P1 C1 1.832(4) .
P2 C13 1.803(4) .
P2 C7 1.812(4) .
P2 C2 1.815(4) .
P3 C19 1.818(4) .
P3 C25 1.835(5) .
P3 C4 1.843(4) .
P4 C37 1.822(4) .
P4 C31 1.834(4) .
P4 C6 1.851(4) .
Cl2 C100 1.729(6) .
Cl3 C100 1.697(6) .
C7 C8 1.387(5) .
C7 C12 1.394(5) .
Cl1 C100 1.692(6) .
C3 C4 1.533(5) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C29 C28 1.353(9) .
C29 C30 1.378(8) .
C29 H29 0.9300 .
C13 C14 1.377(6) .
C13 C18 1.382(5) .
C18 C17 1.381(6) .
C18 H18 0.9300 .
C5 C6 1.525(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C1 C2 1.521(5) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C31 C32 1.373(6) .
C31 C36 1.387(6) .
C25 C26 1.381(6) .
C25 C30 1.383(6) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C37 C38 1.377(6) .
C37 C42 1.380(6) .
C12 C11 1.380(6) .
C12 H12 0.9300 .
C26 C27 1.374(7) .
C26 H26 0.9300 .
C11 C10 1.361(6) .
C11 H11 0.9300 .
C10 C9 1.379(6) .
C10 H10 0.9300 .
C34 C35 1.346(7) .
C34 C33 1.384(7) .
C34 H34 0.9300 .
C9 C8 1.371(5) .
C9 H9 0.9300 .
C8 H8 0.9300 .
C32 C33 1.393(6) .
C32 H32 0.9300 .
C42 C41 1.375(7) .
C42 H42 0.9300 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C36 C35 1.377(7) .
C36 H36 0.9300 .
C24 C23 1.376(7) .
C24 C19 1.372(6) .
C24 H24 0.9300 .
C30 H30 0.9300 .
C19 C20 1.370(6) .
C38 C39 1.383(8) .
C38 H38 0.9300 .
C17 C16 1.356(7) .
C17 H17 0.9300 .
C20 C21 1.391(7) .
C20 H20 0.9300 .
C40 C41 1.355(8) .
C40 C39 1.371(8) .
C40 H40 0.9300 .
C23 C22 1.343(7) .
C23 H23 0.9300 .
C22 C21 1.350(7) .
C22 H22 0.9300 .
C33 H33 0.9300 .
C27 C28 1.362(9) .
C27 H27 0.9300 .
C14 C15 1.373(7) .
C14 H14 0.9300 .
C35 H35 0.9300 .
C28 H28 0.9300 .
C15 C16 1.377(7) .
C15 H15 0.9300 .
C39 H39 0.9300 .
C21 H21 0.9300 .
C16 H16 0.9300 .
C41 H41 0.9300 .
N01 O1 1.143(5) .
N01 O3 1.168(5) .
N01 O2 1.247(6) .
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
P2 Pt1 P1 C3 -114.05(15) .
P2 Pt1 P1 C3 65.95(15) 2_655
P1 Pt1 P1 C3 163(100) 2_655
P2 Pt1 P1 C5 120.84(15) .
P2 Pt1 P1 C5 -59.16(15) 2_655
P1 Pt1 P1 C5 37(100) 2_655
P2 Pt1 P1 C1 2.22(15) .
P2 Pt1 P1 C1 -177.78(15) 2_655
P1 Pt1 P1 C1 -81(100) 2_655
P2 Pt1 P2 C13 -122(85) 2_655
P1 Pt1 P2 C13 90.43(15) .
P1 Pt1 P2 C13 -89.57(15) 2_655
P2 Pt1 P2 C7 4(85) 2_655
P1 Pt1 P2 C7 -143.83(15) .
P1 Pt1 P2 C7 36.17(15) 2_655
P2 Pt1 P2 C2 123(85) 2_655
P1 Pt1 P2 C2 -25.15(15) .
P1 Pt1 P2 C2 154.85(15) 2_655
C13 P2 C7 C8 -159.0(3) .
C2 P2 C7 C8 -46.4(4) .
Pt1 P2 C7 C8 72.1(3) .
C13 P2 C7 C12 24.4(4) .
C2 P2 C7 C12 136.9(3) .
Pt1 P2 C7 C12 -104.5(3) .
C5 P1 C3 C4 176.8(3) .
C1 P1 C3 C4 -72.9(3) .
Pt1 P1 C3 C4 45.8(3) .
C7 P2 C13 C14 66.5(4) .
C2 P2 C13 C14 -46.1(4) .
Pt1 P2 C13 C14 -161.6(3) .
C7 P2 C13 C18 -114.2(3) .
C2 P2 C13 C18 133.2(3) .
Pt1 P2 C13 C18 17.7(4) .
C14 C13 C18 C17 0.1(6) .
P2 C13 C18 C17 -179.2(3) .
C3 P1 C5 C6 40.0(3) .
C1 P1 C5 C6 -69.4(3) .
Pt1 P1 C5 C6 170.3(2) .
C3 P1 C1 C2 150.6(3) .
C5 P1 C1 C2 -99.2(3) .
Pt1 P1 C1 C2 26.8(3) .
P1 C1 C2 P2 -48.9(3) .
C13 P2 C2 C1 -71.4(3) .
C7 P2 C2 C1 175.7(3) .
Pt1 P2 C2 C1 49.0(3) .
C37 P4 C31 C32 152.9(3) .
C6 P4 C31 C32 50.0(4) .
C37 P4 C31 C36 -31.4(4) .
C6 P4 C31 C36 -134.4(4) .
C19 P3 C25 C26 39.5(4) .
C4 P3 C25 C26 -65.1(4) .
C19 P3 C25 C30 -147.4(4) .
C4 P3 C25 C30 108.0(4) .
P1 C3 C4 P3 151.1(2) .
C19 P3 C4 C3 -177.7(3) .
C25 P3 C4 C3 -72.9(3) .
C31 P4 C37 C38 138.5(4) .
C6 P4 C37 C38 -119.4(4) .
C31 P4 C37 C42 -44.0(4) .
C6 P4 C37 C42 58.1(4) .
C8 C7 C12 C11 -0.7(6) .
P2 C7 C12 C11 175.9(3) .
C30 C25 C26 C27 -0.8(8) .
P3 C25 C26 C27 172.2(4) .
C7 C12 C11 C10 1.0(7) .
C12 C11 C10 C9 -0.2(8) .
C11 C10 C9 C8 -0.8(7) .
C10 C9 C8 C7 1.0(7) .
C12 C7 C8 C9 -0.3(6) .
P2 C7 C8 C9 -176.9(3) .
C36 C31 C32 C33 0.7(6) .
P4 C31 C32 C33 176.6(3) .
C38 C37 C42 C41 0.4(7) .
P4 C37 C42 C41 -177.1(4) .
P1 C5 C6 P4 167.8(2) .
C37 P4 C6 C5 60.7(3) .
C31 P4 C6 C5 166.0(3) .
C32 C31 C36 C35 -1.8(7) .
P4 C31 C36 C35 -177.5(4) .
C28 C29 C30 C25 -0.8(10) .
C26 C25 C30 C29 1.6(8) .
P3 C25 C30 C29 -171.8(5) .
C23 C24 C19 C20 2.4(8) .
C23 C24 C19 P3 175.4(4) .
C25 P3 C19 C20 -137.1(4) .
C4 P3 C19 C20 -37.2(4) .
C25 P3 C19 C24 50.2(4) .
C4 P3 C19 C24 150.1(4) .
C42 C37 C38 C39 0.0(7) .
P4 C37 C38 C39 177.7(4) .
C13 C18 C17 C16 1.1(7) .
C24 C19 C20 C21 -2.7(7) .
P3 C19 C20 C21 -175.7(4) .
C19 C24 C23 C22 -0.8(9) .
C24 C23 C22 C21 -0.5(9) .
C35 C34 C33 C32 -2.0(8) .
C31 C32 C33 C34 1.2(7) .
C25 C26 C27 C28 -0.9(9) .
C18 C13 C14 C15 -1.2(7) .
P2 C13 C14 C15 178.2(4) .
C33 C34 C35 C36 1.0(8) .
C31 C36 C35 C34 1.0(8) .
C30 C29 C28 C27 -1.0(11) .
C26 C27 C28 C29 1.8(11) .
C13 C14 C15 C16 1.1(9) .
C41 C40 C39 C38 0.5(10) .
C37 C38 C39 C40 -0.5(9) .
C23 C22 C21 C20 0.1(10) .
C19 C20 C21 C22 1.6(9) .
C18 C17 C16 C15 -1.3(9) .
C14 C15 C16 C17 0.2(9) .
C39 C40 C41 C42 0.0(9) .
C37 C42 C41 C40 -0.4(8) .
