#------------------------------------------------------------------------------
#$Date: 2022-02-23 12:09:43 +0200 (Wed, 23 Feb 2022) $
#$Revision: 273129 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/92/4069222.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_4069222
loop_
_publ_author_name
'Steinke, Tobias'
'Shaw, Bryan K.'
'Jong, Howard'
'Patrick, Brian O.'
'Fryzuk, Michael D.'
_publ_section_title
;
 Synthesis and Coordination Chemistry of a Tridentateo-Phenylene-Bridged
 Diphosphine−NHC System
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2830
_journal_paper_doi               10.1021/om9000764
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C29 H41 N2 P2 Pt2, P F6, 0.5(H2 O)'
_chemical_formula_sum            'C29 H41 F6 N2 O0.5 P3 Pt'
_chemical_formula_weight         827.64
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 96.411(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   13.144(5)
_cell_length_b                   17.286(5)
_cell_length_c                   28.256(5)
_cell_measurement_reflns_used    7341
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.5645
_cell_measurement_theta_min      2.3565
_cell_volume                     6380(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker X8 Apex 2'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            32621
_diffrn_reflns_theta_full        27.85
_diffrn_reflns_theta_max         27.85
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    4.609
_exptl_absorpt_correction_T_max  0.69162
_exptl_absorpt_correction_T_min  0.49986
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3280
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.904
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.644
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         7575
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.644
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0636P)²+88.0165P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0808
_reflns_number_gt                6123
_reflns_number_total             7575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9000764_si_005.cif
_cod_data_source_block           mf682
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

2022-02-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C58 H82 F12 N4 O P6 Pt2'
_cod_original_formula_weight         1655.28
_cod_original_formula_moiety         'C58 H82 F12 N4 O P6 Pt2'
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4069222
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C01 C 0.4982(3) 0.1962(2) 0.59827(15) 0.0214(8) Uani 1 1 d .
C02 C 0.4979(4) 0.3309(3) 0.6003(2) 0.0374(11) Uani 1 1 d .
H01A H 0.4421 0.3696 0.5965 0.045 Uiso 1 1 calc R
H01B H 0.5574 0.3530 0.6205 0.045 Uiso 1 1 calc R
C03 C 0.5265(4) 0.3053(3) 0.55380(19) 0.0361(11) Uani 1 1 d .
H03A H 0.4708 0.3153 0.5280 0.043 Uiso 1 1 calc R
H03B H 0.5897 0.3313 0.5461 0.043 Uiso 1 1 calc R
C04 C 0.4111(3) 0.2603(2) 0.66081(15) 0.0236(8) Uani 1 1 d .
C05 C 0.4214(4) 0.3277(3) 0.68778(17) 0.0313(10) Uani 1 1 d .
H09 H 0.4648 0.3677 0.6787 0.038 Uiso 1 1 calc R
C06 C 0.3713(4) 0.3379(3) 0.72662(18) 0.0355(11) Uani 1 1 d .
H08 H 0.3798 0.3844 0.7445 0.043 Uiso 1 1 calc R
C07 C 0.3086(4) 0.2810(3) 0.73992(18) 0.0378(11) Uani 1 1 d .
H07 H 0.2740 0.2872 0.7675 0.045 Uiso 1 1 calc R
C08 C 0.2957(4) 0.2147(3) 0.71319(17) 0.0330(10) Uani 1 1 d .
H06 H 0.2502 0.1761 0.7223 0.040 Uiso 1 1 calc R
C09 C 0.3460(3) 0.2019(3) 0.67391(15) 0.0259(9) Uani 1 1 d .
C10 C 0.2805(3) 0.0442(3) 0.68237(15) 0.0275(9) Uani 1 1 d .
H19 H 0.2193 0.0680 0.6946 0.033 Uiso 1 1 calc R
C11 C 0.3601(4) 0.0287(3) 0.72428(17) 0.0387(11) Uani 1 1 d .
H20A H 0.3305 -0.0044 0.7474 0.058 Uiso 1 1 calc R
H20B H 0.3820 0.0778 0.7395 0.058 Uiso 1 1 calc R
H20C H 0.4192 0.0027 0.7131 0.058 Uiso 1 1 calc R
C12 C 0.2474(4) -0.0304(3) 0.65699(18) 0.0343(10) Uani 1 1 d .
H21A H 0.3051 -0.0522 0.6423 0.051 Uiso 1 1 calc R
H21B H 0.1907 -0.0197 0.6323 0.051 Uiso 1 1 calc R
H21C H 0.2249 -0.0674 0.6800 0.051 Uiso 1 1 calc R
C13 C 0.2244(3) 0.1278(3) 0.59454(15) 0.0246(9) Uani 1 1 d .
H16 H 0.2097 0.0768 0.5786 0.030 Uiso 1 1 calc R
C14 C 0.1270(4) 0.1536(3) 0.61308(19) 0.0425(12) Uani 1 1 d .
H17A H 0.1381 0.2036 0.6291 0.064 Uiso 1 1 calc R
H17B H 0.1066 0.1152 0.6358 0.064 Uiso 1 1 calc R
H17C H 0.0728 0.1586 0.5865 0.064 Uiso 1 1 calc R
C15 C 0.2537(4) 0.1831(3) 0.55663(17) 0.0366(11) Uani 1 1 d .
H18A H 0.1984 0.1853 0.5304 0.055 Uiso 1 1 calc R
H18B H 0.3166 0.1649 0.5446 0.055 Uiso 1 1 calc R
H18C H 0.2651 0.2348 0.5704 0.055 Uiso 1 1 calc R
C16 C 0.5963(3) 0.1819(3) 0.52831(15) 0.0261(9) Uani 1 1 d .
C17 C 0.6029(4) 0.2165(3) 0.48507(17) 0.0353(11) Uani 1 1 d .
H15 H 0.5686 0.2642 0.4780 0.042 Uiso 1 1 calc R
C18 C 0.6575(4) 0.1841(4) 0.45210(18) 0.0429(13) Uani 1 1 d .
H14 H 0.6603 0.2088 0.4222 0.052 Uiso 1 1 calc R
C19 C 0.7082(4) 0.1164(4) 0.46180(18) 0.0405(12) Uani 1 1 d .
H13 H 0.7468 0.0938 0.4389 0.049 Uiso 1 1 calc R
C20 C 0.7029(3) 0.0815(3) 0.50461(16) 0.0330(10) Uani 1 1 d .
H12 H 0.7394 0.0346 0.5113 0.040 Uiso 1 1 calc R
C21 C 0.6468(3) 0.1114(3) 0.53863(15) 0.0244(8) Uani 1 1 d .
C22 C 0.7462(3) 0.0934(3) 0.63459(16) 0.0316(10) Uani 1 1 d .
H22 H 0.7497 0.0591 0.6632 0.038 Uiso 1 1 calc R
C23 C 0.8470(4) 0.0854(4) 0.6144(2) 0.0543(17) Uani 1 1 d .
H23A H 0.8463 0.1175 0.5858 0.081 Uiso 1 1 calc R
H23B H 0.8576 0.0312 0.6061 0.081 Uiso 1 1 calc R
H23C H 0.9026 0.1023 0.6381 0.081 Uiso 1 1 calc R
C24 C 0.7298(4) 0.1739(3) 0.65140(19) 0.0442(13) Uani 1 1 d .
H24A H 0.7878 0.1893 0.6743 0.066 Uiso 1 1 calc R
H24B H 0.6666 0.1758 0.6668 0.066 Uiso 1 1 calc R
H24C H 0.7242 0.2093 0.6242 0.066 Uiso 1 1 calc R
C25 C 0.6673(3) -0.0409(3) 0.58045(18) 0.0351(11) Uani 1 1 d .
H25 H 0.7349 -0.0421 0.5674 0.042 Uiso 1 1 calc R
C26 C 0.6763(5) -0.0874(3) 0.6253(2) 0.0571(17) Uani 1 1 d .
H26A H 0.6124 -0.0836 0.6400 0.086 Uiso 1 1 calc R
H26B H 0.7330 -0.0675 0.6474 0.086 Uiso 1 1 calc R
H26C H 0.6894 -0.1416 0.6179 0.086 Uiso 1 1 calc R
C27 C 0.5873(4) -0.0749(3) 0.5434(2) 0.0449(13) Uani 1 1 d .
H27A H 0.6024 -0.1297 0.5387 0.067 Uiso 1 1 calc R
H27B H 0.5884 -0.0471 0.5132 0.067 Uiso 1 1 calc R
H27C H 0.5194 -0.0699 0.5543 0.067 Uiso 1 1 calc R
N01 N 0.4635(3) 0.2578(2) 0.62030(13) 0.0248(7) Uani 1 1 d .
N02 N 0.5431(3) 0.2223(2) 0.56105(13) 0.0252(7) Uani 1 1 d .
P01 P 0.32999(7) 0.11218(6) 0.64119(4) 0.0192(2) Uani 1 1 d .
P02 P 0.63759(8) 0.06004(7) 0.59336(4) 0.0226(2) Uani 1 1 d .
P03 P 0.5000 0.56041(10) 0.7500 0.0280(3) Uani 1 2 d S
P04 P 0.0000 0.0000 0.5000 0.0228(3) Uani 1 2 d S
Pt1 Pt 0.482507(11) 0.084812(9) 0.616239(6) 0.02048(6) Uani 1 1 d .
F01 F 0.5181(3) 0.62369(19) 0.71222(12) 0.0613(10) Uani 1 1 d .
F02 F 0.4819(3) 0.49652(19) 0.78781(12) 0.0608(10) Uani 1 1 d .
F03 F 0.3829(2) 0.5598(3) 0.73241(13) 0.0779(13) Uani 1 1 d .
F04 F 0.0388(2) -0.07661(15) 0.47756(10) 0.0354(6) Uani 1 1 d .
F05 F 0.0962(2) 0.04533(16) 0.48483(11) 0.0388(7) Uani 1 1 d .
F06 F 0.0629(2) -0.02190(16) 0.54931(10) 0.0398(7) Uani 1 1 d .
H100 H 0.473(4) -0.001(3) 0.6290(19) 0.044(15) Uiso 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'
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'
F F 0.0171 0.0103 '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'
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
N01 C01 N02 107.4(4) . .
N01 C01 Pt1 126.5(3) . .
N02 C01 Pt1 126.0(3) . .
C03 C02 N01 101.7(4) . .
C03 C02 H01A 111.4 . .
N01 C02 H01A 111.4 . .
C03 C02 H01B 111.4 . .
N01 C02 H01B 111.4 . .
H01A C02 H01B 109.3 . .
N02 C03 C02 102.7(4) . .
N02 C03 H03A 111.2 . .
C02 C03 H03A 111.2 . .
N02 C03 H03B 111.2 . .
C02 C03 H03B 111.2 . .
H03A C03 H03B 109.1 . .
C09 C04 C05 119.0(4) . .
C09 C04 N01 124.4(4) . .
C05 C04 N01 116.5(4) . .
C06 C05 C04 121.8(5) . .
C06 C05 H09 119.1 . .
C04 C05 H09 119.1 . .
C07 C06 C05 119.6(4) . .
C07 C06 H08 120.2 . .
C05 C06 H08 120.2 . .
C06 C07 C08 119.5(5) . .
C06 C07 H07 120.3 . .
C08 C07 H07 120.3 . .
C09 C08 C07 122.6(5) . .
C09 C08 H06 118.7 . .
C07 C08 H06 118.7 . .
C08 C09 C04 117.5(4) . .
C08 C09 P01 120.9(4) . .
C04 C09 P01 121.6(3) . .
C11 C10 C12 110.9(4) . .
C11 C10 P01 110.4(3) . .
C12 C10 P01 110.5(3) . .
C11 C10 H19 108.3 . .
C12 C10 H19 108.3 . .
P01 C10 H19 108.3 . .
C10 C11 H20A 109.5 . .
C10 C11 H20B 109.5 . .
H20A C11 H20B 109.5 . .
C10 C11 H20C 109.5 . .
H20A C11 H20C 109.5 . .
H20B C11 H20C 109.5 . .
C10 C12 H21A 109.5 . .
C10 C12 H21B 109.5 . .
H21A C12 H21B 109.5 . .
C10 C12 H21C 109.5 . .
H21A C12 H21C 109.5 . .
H21B C12 H21C 109.5 . .
C14 C13 C15 110.7(4) . .
C14 C13 P01 113.6(3) . .
C15 C13 P01 111.8(3) . .
C14 C13 H16 106.8 . .
C15 C13 H16 106.8 . .
P01 C13 H16 106.8 . .
C13 C14 H17A 109.5 . .
C13 C14 H17B 109.5 . .
H17A C14 H17B 109.5 . .
C13 C14 H17C 109.5 . .
H17A C14 H17C 109.5 . .
H17B C14 H17C 109.5 . .
C13 C15 H18A 109.5 . .
C13 C15 H18B 109.5 . .
H18A C15 H18B 109.5 . .
C13 C15 H18C 109.5 . .
H18A C15 H18C 109.5 . .
H18B C15 H18C 109.5 . .
C17 C16 N02 117.1(4) . .
C17 C16 C21 119.2(4) . .
N02 C16 C21 123.6(4) . .
C18 C17 C16 121.5(5) . .
C18 C17 H15 119.2 . .
C16 C17 H15 119.2 . .
C19 C18 C17 120.0(5) . .
C19 C18 H14 120.0 . .
C17 C18 H14 120.0 . .
C20 C19 C18 119.3(5) . .
C20 C19 H13 120.4 . .
C18 C19 H13 120.4 . .
C19 C20 C21 122.6(5) . .
C19 C20 H12 118.7 . .
C21 C20 H12 118.7 . .
C20 C21 C16 117.4(4) . .
C20 C21 P02 120.5(4) . .
C16 C21 P02 122.1(3) . .
C24 C22 C23 111.7(4) . .
C24 C22 P02 111.4(3) . .
C23 C22 P02 112.7(3) . .
C24 C22 H22 106.9 . .
C23 C22 H22 106.9 . .
P02 C22 H22 106.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C27 111.1(5) . .
C26 C25 P02 110.0(4) . .
C27 C25 P02 111.1(3) . .
C26 C25 H25 108.2 . .
C27 C25 H25 108.2 . .
P02 C25 H25 108.2 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C01 N01 C04 128.9(4) . .
C01 N01 C02 111.6(4) . .
C04 N01 C02 119.1(4) . .
C01 N02 C16 130.1(4) . .
C01 N02 C03 111.6(4) . .
C16 N02 C03 118.2(4) . .
C09 P01 C10 104.9(2) . .
C09 P01 C13 106.16(19) . .
C10 P01 C13 105.0(2) . .
C09 P01 Pt1 106.52(14) . .
C10 P01 Pt1 117.28(15) . .
C13 P01 Pt1 115.94(14) . .
C21 P02 C25 105.2(2) . .
C21 P02 C22 105.6(2) . .
C25 P02 C22 104.9(2) . .
C21 P02 Pt1 107.67(14) . .
C25 P02 Pt1 117.30(16) . .
C22 P02 Pt1 115.13(15) . .
F01 P03 F01 91.3(3) 2_656 .
F01 P03 F03 90.4(2) 2_656 2_656
F01 P03 F03 90.1(2) . 2_656
F01 P03 F03 90.1(2) 2_656 .
F01 P03 F03 90.4(2) . .
F03 P03 F03 179.2(4) 2_656 .
F01 P03 F02 179.7(2) 2_656 2_656
F01 P03 F02 88.93(18) . 2_656
F03 P03 F02 89.6(2) 2_656 2_656
F03 P03 F02 89.9(2) . 2_656
F01 P03 F02 88.93(18) 2_656 .
F01 P03 F02 179.7(2) . .
F03 P03 F02 89.9(2) 2_656 .
F03 P03 F02 89.6(2) . .
F02 P03 F02 90.8(3) 2_656 .
F04 P04 F04 180.00(18) 5_556 .
F04 P04 F06 90.41(15) 5_556 .
F04 P04 F06 89.59(15) . .
F04 P04 F06 89.59(15) 5_556 5_556
F04 P04 F06 90.41(15) . 5_556
F06 P04 F06 180.00(11) . 5_556
F04 P04 F05 89.82(15) 5_556 .
F04 P04 F05 90.18(15) . .
F06 P04 F05 90.14(16) . .
F06 P04 F05 89.86(15) 5_556 .
F04 P04 F05 90.18(15) 5_556 5_556
F04 P04 F05 89.82(15) . 5_556
F06 P04 F05 89.86(15) . 5_556
F06 P04 F05 90.14(15) 5_556 5_556
F05 P04 F05 180.0(2) . 5_556
C01 Pt1 P01 89.86(12) . .
C01 Pt1 P02 89.32(12) . .
P01 Pt1 P02 178.00(4) . .
C01 Pt1 H100 179(2) . .
P01 Pt1 H100 92(2) . .
P02 Pt1 H100 89(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C01 N01 1.339(6) .
C01 N02 1.341(5) .
C01 Pt1 2.008(4) .
C02 C03 1.475(7) .
C02 N01 1.476(6) .
C02 H01A 0.9900 .
C02 H01B 0.9900 .
C03 N02 1.461(6) .
C03 H03A 0.9900 .
C03 H03B 0.9900 .
C04 C09 1.399(6) .
C04 C05 1.392(6) .
C04 N01 1.401(5) .
C05 C06 1.353(7) .
C05 H09 0.9500 .
C06 C07 1.363(7) .
C06 H08 0.9500 .
C07 C08 1.373(7) .
C07 H07 0.9500 .
C08 C09 1.371(6) .
C08 H06 0.9500 .
C09 P01 1.806(5) .
C10 C11 1.513(6) .
C10 C12 1.514(6) .
C10 P01 1.824(4) .
C10 H19 1.0000 .
C11 H20A 0.9800 .
C11 H20B 0.9800 .
C11 H20C 0.9800 .
C12 H21A 0.9800 .
C12 H21B 0.9800 .
C12 H21C 0.9800 .
C13 C14 1.504(6) .
C13 C15 1.517(6) .
C13 P01 1.824(4) .
C13 H16 1.0000 .
C14 H17A 0.9800 .
C14 H17B 0.9800 .
C14 H17C 0.9800 .
C15 H18A 0.9800 .
C15 H18B 0.9800 .
C15 H18C 0.9800 .
C16 C17 1.371(6) .
C16 N02 1.405(6) .
C16 C21 1.404(6) .
C17 C18 1.358(7) .
C17 H15 0.9500 .
C18 C19 1.359(8) .
C18 H14 0.9500 .
C19 C20 1.361(7) .
C19 H13 0.9500 .
C20 C21 1.376(6) .
C20 H12 0.9500 .
C21 P02 1.799(4) .
C22 C24 1.494(7) .
C22 C23 1.506(7) .
C22 P02 1.832(4) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.494(8) .
C25 C27 1.518(7) .
C25 P02 1.833(5) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
P01 Pt1 2.2484(12) .
P02 Pt1 2.2474(13) .
P03 F01 1.565(3) 2_656
P03 F01 1.565(3) .
P03 F03 1.564(3) 2_656
P03 F03 1.564(3) .
P03 F02 1.573(3) 2_656
P03 F02 1.573(3) .
P04 F04 1.577(3) 5_556
P04 F04 1.577(3) .
P04 F06 1.584(3) .
P04 F06 1.584(3) 5_556
P04 F05 1.587(3) .
P04 F05 1.587(3) 5_556
Pt1 H100 1.53(5) .
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
N01 C02 C03 N02 -21.1(5)
C09 C04 C05 C06 0.9(6)
N01 C04 C05 C06 177.5(4)
C04 C05 C06 C07 -0.2(7)
C05 C06 C07 C08 -1.2(7)
C06 C07 C08 C09 1.9(8)
C07 C08 C09 C04 -1.2(7)
C07 C08 C09 P01 177.7(4)
C05 C04 C09 C08 -0.2(6)
N01 C04 C09 C08 -176.5(4)
C05 C04 C09 P01 -179.1(3)
N01 C04 C09 P01 4.6(6)
N02 C16 C17 C18 176.3(4)
C21 C16 C17 C18 -0.2(7)
C16 C17 C18 C19 -0.8(8)
C17 C18 C19 C20 0.4(7)
C18 C19 C20 C21 1.0(7)
C19 C20 C21 C16 -1.9(7)
C19 C20 C21 P02 176.9(4)
C17 C16 C21 C20 1.5(6)
N02 C16 C21 C20 -174.7(4)
C17 C16 C21 P02 -177.2(3)
N02 C16 C21 P02 6.5(6)
N02 C01 N01 C04 179.8(4)
Pt1 C01 N01 C04 1.4(6)
N02 C01 N01 C02 -7.3(5)
Pt1 C01 N01 C02 174.3(3)
C09 C04 N01 C01 -30.0(6)
C05 C04 N01 C01 153.6(4)
C09 C04 N01 C02 157.6(4)
C05 C04 N01 C02 -18.8(5)
C03 C02 N01 C01 18.7(5)
C03 C02 N01 C04 -167.7(4)
N01 C01 N02 C16 176.0(4)
Pt1 C01 N02 C16 -5.6(6)
N01 C01 N02 C03 -7.8(5)
Pt1 C01 N02 C03 170.6(3)
C17 C16 N02 C01 157.6(4)
C21 C16 N02 C01 -26.2(7)
C17 C16 N02 C03 -18.4(6)
C21 C16 N02 C03 157.8(4)
C02 C03 N02 C01 19.2(5)
C02 C03 N02 C16 -164.1(4)
C08 C09 P01 C10 -19.4(4)
C04 C09 P01 C10 159.5(3)
C08 C09 P01 C13 91.5(4)
C04 C09 P01 C13 -89.6(4)
C08 C09 P01 Pt1 -144.4(3)
C04 C09 P01 Pt1 34.5(4)
C11 C10 P01 C09 -66.0(4)
C12 C10 P01 C09 170.9(3)
C11 C10 P01 C13 -177.6(3)
C12 C10 P01 C13 59.2(4)
C11 C10 P01 Pt1 51.9(4)
C12 C10 P01 Pt1 -71.2(3)
C14 C13 P01 C09 -56.2(4)
C15 C13 P01 C09 69.9(4)
C14 C13 P01 C10 54.5(4)
C15 C13 P01 C10 -179.4(3)
C14 C13 P01 Pt1 -174.3(3)
C15 C13 P01 Pt1 -48.2(4)
C20 C21 P02 C25 -21.7(4)
C16 C21 P02 C25 157.0(3)
C20 C21 P02 C22 89.0(4)
C16 C21 P02 C22 -92.3(4)
C20 C21 P02 Pt1 -147.5(3)
C16 C21 P02 Pt1 31.2(4)
C26 C25 P02 C21 172.1(4)
C27 C25 P02 C21 -64.5(4)
C26 C25 P02 C22 61.0(4)
C27 C25 P02 C22 -175.6(4)
C26 C25 P02 Pt1 -68.2(4)
C27 C25 P02 Pt1 55.2(4)
C24 C22 P02 C21 73.2(4)
C23 C22 P02 C21 -53.3(5)
C24 C22 P02 C25 -175.9(4)
C23 C22 P02 C25 57.6(5)
C24 C22 P02 Pt1 -45.4(4)
C23 C22 P02 Pt1 -171.9(4)
N01 C01 Pt1 P01 33.1(3)
N02 C01 Pt1 P01 -145.0(3)
N01 C01 Pt1 P02 -145.1(3)
N02 C01 Pt1 P02 36.8(3)
C09 P01 Pt1 C01 -42.84(19)
C10 P01 Pt1 C01 -159.8(2)
C13 P01 Pt1 C01 75.0(2)
C09 P01 Pt1 P02 23.2(12)
C10 P01 Pt1 P02 -93.8(12)
C13 P01 Pt1 P02 141.0(11)
C21 P02 Pt1 C01 -42.21(19)
C25 P02 Pt1 C01 -160.5(2)
C22 P02 Pt1 C01 75.3(2)
C21 P02 Pt1 P01 -108.2(11)
C25 P02 Pt1 P01 133.5(11)
C22 P02 Pt1 P01 9.2(12)
