#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:53:12 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179082 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/44/4304432.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_4304432
loop_
_publ_author_name
'Daniela Belli Dell'Amico'
'Fausto Calderazzo'
'Fabio Marchetti'
'Stefano Ramello'
'Simona Samaritani'
_publ_contact_author
;
      Belli Dell''Amico, Daniela 
      Dipartimento di Chimica e Chimica Industriale
      Università di Pisa
      Via Risorgimento,  35
      56126  Pisa
      Italy
;
_publ_contact_author_email       belli@dcci.unipi.it
_publ_contact_author_fax         39()0502219246
_publ_contact_author_phone       39()0502219206
_publ_section_title
;
Simple Preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n= 1, 2 (Q =
TBA+, PPN+) and Structural Characterization of [TBA][Pt2Cl9] and
[PPN]2[Pt2Cl10].C7H8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1237
_journal_page_last               1242
_journal_paper_doi               10.1021/ic701932u
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         '2(C36 H30 N P2),  Cl10 Pt2, C7 H8'
_chemical_formula_sum            'C79 H68 Cl10 N2 P4 Pt2'
_chemical_formula_weight         1913.91
_chemical_name_systematic
;
di-bis(Triphenylphosphino)iminium bis(μ₂-chloro)-
bis(tetrachloro-platinum(iv)) toluene solvate
;
_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                102.209(9)
_cell_angle_beta                 94.790(7)
_cell_angle_gamma                112.662(8)
_cell_formula_units_Z            1
_cell_length_a                   12.1239(10)
_cell_length_b                   13.2526(17)
_cell_length_c                   13.6779(14)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      5.16
_cell_volume                     1948.7(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WINGX-1.64 (Farrugia, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (A. Altomare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2θ/ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9098
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.55
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.055
_exptl_absorpt_correction_T_max  0.4878
_exptl_absorpt_correction_T_min  0.4417
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.657
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0357
_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)+(0.0610P)²+3.0451P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1072
_reflns_number_gt                6712
_reflns_number_total             7923
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701932u-file001_1.cif
_cod_data_source_block           placppn
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304432
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 0.11804(2) 0.554983(19) 0.433722(16) 0.03635(8) Uani 1 1 d . . .
Cl1 Cl 0.22654(18) 0.47334(16) 0.34566(14) 0.0590(4) Uani 1 1 d . . .
Cl2 Cl -0.01934(17) 0.50382(15) 0.28531(12) 0.0571(4) Uani 1 1 d . . .
Cl3 Cl 0.22055(16) 0.72506(14) 0.40055(13) 0.0522(4) Uani 1 1 d . . .
Cl4 Cl 0.26270(15) 0.61631(15) 0.57992(13) 0.0537(4) Uani 1 1 d . . .
Cl5 Cl -0.00886(14) 0.61966(12) 0.52773(11) 0.0435(3) Uani 1 1 d . . .
C1 C 0.7326(5) 0.8052(5) -0.0766(4) 0.0399(12) Uani 1 1 d . . .
C2 C 0.7955(6) 0.8863(6) -0.1247(5) 0.0490(14) Uani 1 1 d . . .
H2 H 0.8500 0.9580 -0.0861 0.059 Uiso 1 1 calc R . .
C3 C 0.7780(8) 0.8613(7) -0.2291(5) 0.0630(19) Uani 1 1 d . . .
H3 H 0.8202 0.9157 -0.2614 0.076 Uiso 1 1 calc R . .
C4 C 0.6978(9) 0.7559(9) -0.2845(6) 0.074(2) Uani 1 1 d . . .
H4 H 0.6852 0.7389 -0.3551 0.089 Uiso 1 1 calc R . .
C5 C 0.6361(8) 0.6751(8) -0.2391(7) 0.080(3) Uani 1 1 d . . .
H5 H 0.5820 0.6038 -0.2788 0.096 Uiso 1 1 calc R . .
C6 C 0.6529(7) 0.6978(6) -0.1338(6) 0.0582(18) Uani 1 1 d . . .
H6 H 0.6116 0.6421 -0.1024 0.070 Uiso 1 1 calc R . .
C7 C 0.7848(6) 0.9849(5) 0.1046(4) 0.0425(13) Uani 1 1 d . . .
C8 C 0.6966(7) 1.0184(6) 0.0700(6) 0.0567(17) Uani 1 1 d . . .
H8 H 0.6287 0.9672 0.0217 0.068 Uiso 1 1 calc R . .
C9 C 0.7114(9) 1.1292(7) 0.1086(7) 0.073(2) Uani 1 1 d . . .
H9 H 0.6525 1.1521 0.0863 0.088 Uiso 1 1 calc R . .
C10 C 0.8099(11) 1.2040(7) 0.1779(8) 0.085(3) Uani 1 1 d . . .
H10 H 0.8175 1.2775 0.2043 0.102 Uiso 1 1 calc R . .
C11 C 0.8995(9) 1.1727(7) 0.2099(7) 0.079(3) Uani 1 1 d . . .
H11 H 0.9686 1.2256 0.2563 0.095 Uiso 1 1 calc R . .
C12 C 0.8867(7) 1.0620(6) 0.1729(5) 0.0580(17) Uani 1 1 d . . .
H12 H 0.9470 1.0403 0.1944 0.070 Uiso 1 1 calc R . .
C13 C 0.8885(5) 0.8178(5) 0.1021(5) 0.0408(12) Uani 1 1 d . . .
C14 C 0.9619(6) 0.7979(6) 0.0360(5) 0.0517(15) Uani 1 1 d . . .
H14 H 0.9459 0.7980 -0.0317 0.062 Uiso 1 1 calc R . .
C15 C 1.0612(7) 0.7774(7) 0.0719(7) 0.0625(19) Uani 1 1 d . . .
H15 H 1.1121 0.7653 0.0280 0.075 Uiso 1 1 calc R . .
C16 C 1.0833(7) 0.7751(7) 0.1697(7) 0.065(2) Uani 1 1 d . . .
H16 H 1.1485 0.7603 0.1924 0.079 Uiso 1 1 calc R . .
C17 C 1.0109(7) 0.7944(7) 0.2351(6) 0.068(2) Uani 1 1 d . . .
H17 H 1.0271 0.7925 0.3022 0.081 Uiso 1 1 calc R . .
C18 C 0.9131(6) 0.8168(6) 0.2034(5) 0.0543(16) Uani 1 1 d . . .
H18 H 0.8645 0.8309 0.2488 0.065 Uiso 1 1 calc R . .
P1 P 0.75493(13) 0.83689(12) 0.05977(11) 0.0360(3) Uani 1 1 d . . .
N1 N 0.6402(5) 0.7548(4) 0.0924(4) 0.0440(11) Uani 1 1 d . . .
P2 P 0.54087(13) 0.74277(12) 0.16149(11) 0.0361(3) Uani 1 1 d . . .
C19 C 0.3947(6) 0.6471(5) 0.0846(5) 0.0414(12) Uani 1 1 d . . .
C20 C 0.3749(6) 0.6387(6) -0.0186(5) 0.0524(16) Uani 1 1 d . . .
H20 H 0.4381 0.6783 -0.0486 0.063 Uiso 1 1 calc R . .
C21 C 0.2605(7) 0.5710(7) -0.0772(5) 0.0599(18) Uani 1 1 d . . .
H21 H 0.2471 0.5652 -0.1465 0.072 Uiso 1 1 calc R . .
C22 C 0.1672(8) 0.5125(7) -0.0334(6) 0.068(2) Uani 1 1 d . . .
H22 H 0.0906 0.4675 -0.0730 0.081 Uiso 1 1 calc R . .
C23 C 0.1864(7) 0.5203(7) 0.0689(7) 0.070(2) Uani 1 1 d . . .
H23 H 0.1230 0.4801 0.0984 0.084 Uiso 1 1 calc R . .
C24 C 0.3010(6) 0.5884(6) 0.1284(5) 0.0555(17) Uani 1 1 d . . .
H24 H 0.3140 0.5940 0.1977 0.067 Uiso 1 1 calc R . .
C25 C 0.5284(6) 0.8718(5) 0.2178(5) 0.0420(13) Uani 1 1 d . . .
C26 C 0.6212(7) 0.9557(6) 0.2939(5) 0.0542(16) Uani 1 1 d . . .
H26 H 0.6879 0.9431 0.3170 0.065 Uiso 1 1 calc R . .
C27 C 0.6153(9) 1.0566(7) 0.3351(7) 0.073(2) Uani 1 1 d . . .
H27 H 0.6778 1.1120 0.3859 0.087 Uiso 1 1 calc R . .
C28 C 0.5171(10) 1.0764(8) 0.3014(8) 0.089(3) Uani 1 1 d . . .
H28 H 0.5129 1.1447 0.3302 0.106 Uiso 1 1 calc R . .
C29 C 0.4260(9) 0.9956(8) 0.2258(9) 0.092(3) Uani 1 1 d . . .
H29 H 0.3604 1.0098 0.2028 0.111 Uiso 1 1 calc R . .
C30 C 0.4302(7) 0.8934(7) 0.1831(7) 0.066(2) Uani 1 1 d . . .
H30 H 0.3679 0.8390 0.1315 0.079 Uiso 1 1 calc R . .
C31 C 0.5714(6) 0.6862(5) 0.2642(4) 0.0427(13) Uani 1 1 d . . .
C32 C 0.5196(6) 0.6963(6) 0.3496(5) 0.0509(15) Uani 1 1 d . . .
H32 H 0.4683 0.7335 0.3557 0.061 Uiso 1 1 calc R . .
C33 C 0.5447(7) 0.6502(7) 0.4269(5) 0.0588(18) Uani 1 1 d . . .
H33 H 0.5067 0.6533 0.4830 0.071 Uiso 1 1 calc R . .
C34 C 0.6253(8) 0.6002(7) 0.4205(6) 0.0633(19) Uani 1 1 d . . .
H34 H 0.6453 0.5735 0.4739 0.076 Uiso 1 1 calc R . .
C35 C 0.6761(8) 0.5901(7) 0.3347(6) 0.068(2) Uani 1 1 d . . .
H35 H 0.7287 0.5542 0.3295 0.081 Uiso 1 1 calc R . .
C36 C 0.6498(6) 0.6327(6) 0.2562(5) 0.0519(15) Uani 1 1 d . . .
H36 H 0.6844 0.6254 0.1984 0.062 Uiso 1 1 calc R . .
C37 C 0.0685(17) 0.0988(14) 0.4750(10) 0.129(5) Uani 1 1 d . . .
H37 H 0.1153 0.1653 0.4589 0.155 Uiso 1 1 calc R . .
C38 C 0.1167(16) 0.0193(16) 0.4855(9) 0.121(5) Uani 1 1 d . . .
H38 H 0.1952 0.0321 0.4750 0.145 Uiso 0.50 1 calc PR A 1
C39 C 0.0465(17) -0.0765(12) 0.5113(9) 0.117(4) Uani 1 1 d . . .
H39 H 0.0791 -0.1279 0.5196 0.140 Uiso 1 1 calc R . .
C40 C 0.230(3) 0.035(2) 0.4632(19) 0.121(9) Uani 0.50 1 d P B 2
H40A H 0.2676 0.1068 0.4482 0.181 Uiso 0.50 1 calc PR B 2
H40B H 0.2223 -0.0247 0.4053 0.181 Uiso 0.50 1 calc PR B 2
H40C H 0.2803 0.0331 0.5206 0.181 Uiso 0.50 1 calc PR B 2
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'
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
Cl1 Pt1 Cl3 92.62(7) . . ?
Cl1 Pt1 Cl2 89.40(7) . . ?
Cl3 Pt1 Cl2 88.43(6) . . ?
Cl1 Pt1 Cl4 90.44(7) . . ?
Cl3 Pt1 Cl4 88.09(6) . . ?
Cl2 Pt1 Cl4 176.51(6) . . ?
Cl1 Pt1 Cl5 173.53(6) . . ?
Cl3 Pt1 Cl5 93.82(6) . . ?
Cl2 Pt1 Cl5 90.11(6) . . ?
Cl4 Pt1 Cl5 90.44(6) . . ?
Cl1 Pt1 Cl5 89.06(6) . 2_566 ?
Cl3 Pt1 Cl5 178.27(6) . 2_566 ?
Cl2 Pt1 Cl5 92.05(6) . 2_566 ?
Cl4 Pt1 Cl5 91.44(6) . 2_566 ?
Cl5 Pt1 Cl5 84.52(5) . 2_566 ?
Pt1 Cl5 Pt1 95.48(5) . 2_566 ?
C6 C1 C2 120.0(6) . . ?
C6 C1 P1 119.2(5) . . ?
C2 C1 P1 120.8(5) . . ?
C3 C2 C1 120.4(7) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C4 C3 C2 119.0(8) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 121.5(7) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 120.6(8) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 118.4(8) . . ?
C1 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
C12 C7 C8 120.1(6) . . ?
C12 C7 P1 122.7(5) . . ?
C8 C7 P1 117.2(5) . . ?
C9 C8 C7 119.1(8) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C10 C9 C8 120.8(9) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.6(8) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 119.8(8) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 119.6(8) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C18 119.8(6) . . ?
C14 C13 P1 121.6(5) . . ?
C18 C13 P1 118.5(5) . . ?
C13 C14 C15 119.2(7) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C16 C15 C14 120.5(7) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 120.4(7) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 121.0(7) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C17 C18 C13 119.0(7) . . ?
C17 C18 H18 120.5 . . ?
C13 C18 H18 120.5 . . ?
N1 P1 C1 109.4(3) . . ?
N1 P1 C13 111.0(3) . . ?
C1 P1 C13 107.2(3) . . ?
N1 P1 C7 113.9(3) . . ?
C1 P1 C7 106.2(3) . . ?
C13 P1 C7 108.9(3) . . ?
P1 N1 P2 146.9(4) . . ?
N1 P2 C25 115.1(3) . . ?
N1 P2 C31 110.4(3) . . ?
C25 P2 C31 106.8(3) . . ?
N1 P2 C19 108.4(3) . . ?
C25 P2 C19 106.7(3) . . ?
C31 P2 C19 109.1(3) . . ?
C24 C19 C20 119.8(6) . . ?
C24 C19 P2 120.6(5) . . ?
C20 C19 P2 119.4(5) . . ?
C19 C20 C21 119.8(7) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 120.3(7) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.2(7) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 119.9(7) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C19 C24 C23 119.9(6) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C30 118.7(6) . . ?
C26 C25 P2 119.9(5) . . ?
C30 C25 P2 121.4(5) . . ?
C27 C26 C25 120.6(7) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C28 120.3(8) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 119.9(8) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.7(8) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C29 C30 C25 119.8(8) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
C32 C31 C36 120.1(6) . . ?
C32 C31 P2 121.4(5) . . ?
C36 C31 P2 118.5(5) . . ?
C31 C32 C33 119.5(7) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C34 C33 C32 120.4(7) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 119.6(7) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C34 C35 C36 120.7(7) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 119.6(7) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.2 . . ?
C39 C37 C38 118.9(17) 2_556 . ?
C39 C37 H37 120.6 2_556 . ?
C38 C37 H37 120.6 . . ?
C39 C38 C40 120.4(19) . . ?
C39 C38 C37 119.2(15) . . ?
C40 C38 C37 120(2) . . ?
C39 C38 H38 120.4 . . ?
C40 C38 H38 3.8 . . ?
C37 C38 H38 120.4 . . ?
C37 C39 C38 121.9(15) 2_556 . ?
C37 C39 H39 119.0 2_556 . ?
C38 C39 H39 119.0 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
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 Cl1 2.2721(16) . ?
Pt1 Cl3 2.2801(16) . ?
Pt1 Cl2 2.3103(16) . ?
Pt1 Cl4 2.3159(16) . ?
Pt1 Cl5 2.3739(15) . ?
Pt1 Cl5 2.3788(15) 2_566 ?
Cl5 Pt1 2.3788(15) 2_566 ?
C1 C6 1.384(9) . ?
C1 C2 1.385(9) . ?
C1 P1 1.797(6) . ?
C2 C3 1.374(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.353(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.369(9) . ?
C7 C8 1.390(10) . ?
C7 P1 1.806(6) . ?
C8 C9 1.386(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.344(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.374(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(11) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.375(9) . ?
C13 C18 1.397(9) . ?
C13 P1 1.801(6) . ?
C14 C15 1.405(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.351(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.386(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
P1 N1 1.568(5) . ?
N1 P2 1.574(5) . ?
P2 C25 1.789(6) . ?
P2 C31 1.801(6) . ?
P2 C19 1.802(6) . ?
C19 C24 1.373(9) . ?
C19 C20 1.386(8) . ?
C20 C21 1.386(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.368(11) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.394(10) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.392(9) . ?
C25 C30 1.396(9) . ?
C26 C27 1.368(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.377(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.366(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.378(9) . ?
C31 C36 1.387(9) . ?
C32 C33 1.394(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.374(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.376(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.383(9) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C39 1.348(19) 2_556 ?
C37 C38 1.413(19) . ?
C37 H37 0.9300 . ?
C38 C39 1.37(2) . ?
C38 C40 1.38(3) . ?
C38 H38 0.9300 . ?
C39 C37 1.348(19) 2_556 ?
C39 H39 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
