#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:56:43 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179085 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/47/4304713.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_4304713
loop_
_publ_author_name
'Tülay A. Ateşin'
'Abdurrahman Ç. Ateşin'
'Karlyn Skugrud'
'William D. Jones'
_publ_contact_author_address
'Department of Chemistry, University of Rochester, Rochester, New York 14627'
_publ_contact_author_email       jones@chem.rochester.edu
_publ_contact_author_name        'William D. Jones'
_publ_section_title
;
Understanding Selectivity in the Oxidative Addition of the Carbon-Sulfur
Bonds of 2-Cyanothiophene to Pt(0)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4596
_journal_page_last               4604
_journal_paper_doi               10.1021/ic702273a
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C19 H35 N P2 Pt S'
_chemical_formula_weight         566.57
_chemical_name_systematic
; 
 compound 3
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.325(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.7568(17)
_cell_length_b                   13.6590(13)
_cell_length_c                   19.8091(18)
_cell_measurement_temperature    193(2)
_cell_volume                     4548.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29357
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    6.404
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.619692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            salmon
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.759
_refine_diff_density_min         -2.341
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         10945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0348P)²+18.2459P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                8106
_reflns_number_total             10945
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702273a-file002.cif
_cod_data_source_block           sad
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304713
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.648480(16) 0.222069(19) 0.715247(16) 0.02520(8) Uani 1 1 d . . .
P1 P 0.68398(12) 0.30713(14) 0.63711(11) 0.0314(4) Uani 1 1 d . . .
P2 P 0.71884(11) 0.33784(14) 0.80540(11) 0.0293(4) Uani 1 1 d . . .
S1 S 0.62954(13) 0.13577(15) 0.80451(12) 0.0391(5) Uani 1 1 d . . .
N1 N 0.5558(6) -0.0759(7) 0.8660(5) 0.080(3) Uani 1 1 d . . .
C1 C 0.5762(4) 0.1290(5) 0.6303(4) 0.0263(16) Uani 1 1 d . . .
H1A H 0.5712 0.1468 0.5820 0.032 Uiso 1 1 calc R . .
C2 C 0.5374(5) 0.0533(6) 0.6295(5) 0.044(2) Uani 1 1 d . . .
H2A H 0.5055 0.0258 0.5814 0.052 Uiso 1 1 calc R . .
C3 C 0.5355(5) 0.0043(6) 0.6916(5) 0.039(2) Uani 1 1 d . . .
H3A H 0.5059 -0.0549 0.6807 0.047 Uiso 1 1 calc R . .
C4 C 0.5713(5) 0.0324(6) 0.7655(5) 0.042(2) Uani 1 1 d . . .
C5 C 0.5630(6) -0.0273(7) 0.8196(6) 0.054(2) Uani 1 1 d . . .
C6 C 0.7570(5) 0.2465(6) 0.6129(5) 0.047(2) Uani 1 1 d . . .
H6A H 0.7730 0.2944 0.5839 0.056 Uiso 1 1 calc R . .
C7 C 0.8320(6) 0.2187(8) 0.6837(6) 0.069(3) Uani 1 1 d . . .
H7A H 0.8699 0.1867 0.6693 0.104 Uiso 1 1 calc R . .
H7B H 0.8179 0.1738 0.7145 0.104 Uiso 1 1 calc R . .
H7C H 0.8562 0.2779 0.7128 0.104 Uiso 1 1 calc R . .
C8 C 0.7223(6) 0.1579(7) 0.5630(6) 0.061(3) Uani 1 1 d . . .
H8A H 0.7628 0.1280 0.5511 0.091 Uiso 1 1 calc R . .
H8B H 0.6768 0.1781 0.5163 0.091 Uiso 1 1 calc R . .
H8C H 0.7046 0.1102 0.5894 0.091 Uiso 1 1 calc R . .
C9 C 0.6050(5) 0.3463(6) 0.5457(4) 0.041(2) Uani 1 1 d . . .
H9A H 0.5846 0.2860 0.5143 0.049 Uiso 1 1 calc R . .
C10 C 0.5358(5) 0.3894(7) 0.5568(5) 0.051(2) Uani 1 1 d . . .
H10A H 0.4936 0.4097 0.5079 0.077 Uiso 1 1 calc R . .
H10B H 0.5544 0.4463 0.5903 0.077 Uiso 1 1 calc R . .
H10C H 0.5150 0.3399 0.5792 0.077 Uiso 1 1 calc R . .
C11 C 0.6342(6) 0.4154(7) 0.5025(5) 0.066(3) Uani 1 1 d . . .
H11A H 0.5895 0.4331 0.4544 0.099 Uiso 1 1 calc R . .
H11B H 0.6754 0.3827 0.4931 0.099 Uiso 1 1 calc R . .
H11C H 0.6563 0.4747 0.5323 0.099 Uiso 1 1 calc R . .
C12 C 0.6571(5) 0.4232(6) 0.8293(5) 0.0392(19) Uani 1 1 d . . .
H12A H 0.6919 0.4791 0.8579 0.047 Uiso 1 1 calc R . .
C13 C 0.5900(5) 0.4652(7) 0.7572(5) 0.057(3) Uani 1 1 d . . .
H13A H 0.5577 0.5103 0.7706 0.086 Uiso 1 1 calc R . .
H13B H 0.5565 0.4116 0.7266 0.086 Uiso 1 1 calc R . .
H13C H 0.6130 0.5004 0.7284 0.086 Uiso 1 1 calc R . .
C14 C 0.6230(6) 0.3777(7) 0.8789(6) 0.063(3) Uani 1 1 d . . .
H14A H 0.5912 0.4266 0.8897 0.095 Uiso 1 1 calc R . .
H14B H 0.6665 0.3552 0.9262 0.095 Uiso 1 1 calc R . .
H14C H 0.5892 0.3219 0.8526 0.095 Uiso 1 1 calc R . .
C15 C 0.7952(5) 0.2948(6) 0.8960(4) 0.040(2) Uani 1 1 d . . .
H15A H 0.7672 0.2590 0.9214 0.048 Uiso 1 1 calc R . .
C16 C 0.8506(5) 0.2218(7) 0.8852(5) 0.058(3) Uani 1 1 d . . .
H16A H 0.8908 0.1995 0.9344 0.087 Uiso 1 1 calc R . .
H16B H 0.8770 0.2533 0.8578 0.087 Uiso 1 1 calc R . .
H16C H 0.8198 0.1655 0.8562 0.087 Uiso 1 1 calc R . .
C17 C 0.8426(6) 0.3775(7) 0.9487(5) 0.056(3) Uani 1 1 d . . .
H17A H 0.8822 0.3497 0.9962 0.084 Uiso 1 1 calc R . .
H17B H 0.8065 0.4202 0.9588 0.084 Uiso 1 1 calc R . .
H17C H 0.8697 0.4156 0.9250 0.084 Uiso 1 1 calc R . .
C18 C 0.7728(5) 0.4159(6) 0.7678(4) 0.0378(19) Uani 1 1 d . . .
H18A H 0.7780 0.4825 0.7892 0.045 Uiso 1 1 calc R . .
H18B H 0.8270 0.3893 0.7840 0.045 Uiso 1 1 calc R . .
C19 C 0.7314(5) 0.4225(6) 0.6823(4) 0.0391(19) Uani 1 1 d . . .
H19A H 0.7708 0.4415 0.6641 0.047 Uiso 1 1 calc R . .
H19B H 0.6904 0.4745 0.6672 0.047 Uiso 1 1 calc R . .
Pt2 Pt 0.343900(17) 0.46446(2) 0.765771(17) 0.03013(9) Uani 1 1 d . . .
P1B P 0.30487(13) 0.36744(15) 0.83566(12) 0.0359(5) Uani 1 1 d . . .
P2B P 0.27091(13) 0.36174(16) 0.66639(12) 0.0390(5) Uani 1 1 d . . .
S1B S 0.36766(13) 0.56090(15) 0.68478(12) 0.0386(5) Uani 1 1 d . . .
N1B N 0.4529(6) 0.7727(6) 0.6387(5) 0.076(3) Uani 1 1 d . . .
C1B C 0.4160(4) 0.5466(6) 0.8569(5) 0.042(2) Uani 1 1 d . . .
H1BA H 0.4197 0.5228 0.9034 0.050 Uiso 1 1 calc R . .
C2B C 0.4566(5) 0.6227(6) 0.8633(5) 0.047(2) Uani 1 1 d . . .
H2BA H 0.4873 0.6452 0.9133 0.056 Uiso 1 1 calc R . .
C3B C 0.4627(4) 0.6797(5) 0.8058(5) 0.0362(19) Uani 1 1 d . . .
H3BA H 0.4935 0.7378 0.8215 0.043 Uiso 1 1 calc R . .
C4B C 0.4296(5) 0.6598(6) 0.7323(5) 0.0374(19) Uani 1 1 d . . .
C5B C 0.4412(5) 0.7224(7) 0.6804(6) 0.056(2) Uani 1 1 d . . .
C6B C 0.3813(5) 0.3189(7) 0.9248(5) 0.054(2) Uani 1 1 d . . .
H6BA H 0.4052 0.3757 0.9594 0.064 Uiso 1 1 calc R . .
C7B C 0.3472(7) 0.2479(7) 0.9643(6) 0.068(3) Uani 1 1 d . . .
H7BA H 0.3903 0.2253 1.0119 0.101 Uiso 1 1 calc R . .
H7BB H 0.3228 0.1915 0.9316 0.101 Uiso 1 1 calc R . .
H7BC H 0.3070 0.2820 0.9745 0.101 Uiso 1 1 calc R . .
C8B C 0.4473(6) 0.2706(9) 0.9123(7) 0.083(4) Uani 1 1 d . . .
H8BA H 0.4883 0.2461 0.9603 0.124 Uiso 1 1 calc R . .
H8BB H 0.4710 0.3187 0.8914 0.124 Uiso 1 1 calc R . .
H8BC H 0.4254 0.2160 0.8769 0.124 Uiso 1 1 calc R . .
C9B C 0.2308(6) 0.4231(7) 0.8613(5) 0.051(2) Uani 1 1 d . . .
H9BA H 0.2119 0.3708 0.8849 0.061 Uiso 1 1 calc R . .
C10B C 0.1593(5) 0.4581(8) 0.7908(6) 0.065(3) Uani 1 1 d . . .
H10D H 0.1202 0.4877 0.8049 0.098 Uiso 1 1 calc R . .
H10E H 0.1350 0.4024 0.7572 0.098 Uiso 1 1 calc R . .
H10F H 0.1766 0.5069 0.7648 0.098 Uiso 1 1 calc R . .
C11B C 0.2648(7) 0.5045(8) 0.9177(6) 0.071(3) Uani 1 1 d . . .
H11D H 0.2232 0.5311 0.9297 0.107 Uiso 1 1 calc R . .
H11E H 0.2849 0.5564 0.8965 0.107 Uiso 1 1 calc R . .
H11F H 0.3085 0.4791 0.9638 0.107 Uiso 1 1 calc R . .
C12B C 0.1969(6) 0.4154(8) 0.5783(5) 0.067(3) Uani 1 1 d . . .
H12B H 0.2262 0.4588 0.5584 0.080 Uiso 1 1 calc R . .
C13B C 0.1382(6) 0.4805(9) 0.5927(6) 0.079(4) Uani 1 1 d . . .
H13D H 0.0994 0.5086 0.5449 0.119 Uiso 1 1 calc R . .
H13E H 0.1673 0.5334 0.6274 0.119 Uiso 1 1 calc R . .
H13F H 0.1103 0.4411 0.6148 0.119 Uiso 1 1 calc R . .
C14B C 0.1524(7) 0.3391(10) 0.5173(6) 0.103(5) Uani 1 1 d . . .
H14D H 0.1143 0.3722 0.4716 0.154 Uiso 1 1 calc R . .
H14E H 0.1238 0.2942 0.5354 0.154 Uiso 1 1 calc R . .
H14F H 0.1905 0.3021 0.5060 0.154 Uiso 1 1 calc R . .
C15B C 0.3298(7) 0.2822(7) 0.6356(6) 0.064(3) Uani 1 1 d . . .
H15B H 0.2936 0.2302 0.6025 0.076 Uiso 1 1 calc R . .
C16B C 0.3966(7) 0.2315(8) 0.7030(8) 0.087(4) Uani 1 1 d . . .
H16D H 0.4270 0.1894 0.6851 0.131 Uiso 1 1 calc R . .
H16E H 0.3736 0.1917 0.7296 0.131 Uiso 1 1 calc R . .
H16F H 0.4320 0.2810 0.7374 0.131 Uiso 1 1 calc R . .
C17B C 0.3654(7) 0.3358(8) 0.5907(7) 0.086(4) Uani 1 1 d . . .
H17D H 0.3956 0.2896 0.5755 0.129 Uiso 1 1 calc R . .
H17E H 0.4009 0.3876 0.6218 0.129 Uiso 1 1 calc R . .
H17F H 0.3226 0.3649 0.5457 0.129 Uiso 1 1 calc R . .
C18B C 0.2141(5) 0.2784(6) 0.6962(5) 0.044(2) Uani 1 1 d . . .
H18C H 0.1610 0.3071 0.6829 0.053 Uiso 1 1 calc R . .
H18D H 0.2061 0.2156 0.6687 0.053 Uiso 1 1 calc R . .
C19B C 0.2563(5) 0.2587(6) 0.7810(5) 0.045(2) Uani 1 1 d . . .
H19C H 0.2966 0.2068 0.7912 0.054 Uiso 1 1 calc R . .
H19D H 0.2169 0.2343 0.7977 0.054 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C1 Pt1 P1 92.6(2) . . ?
C1 Pt1 S1 92.4(2) . . ?
P1 Pt1 S1 172.67(8) . . ?
C1 Pt1 P2 174.10(19) . . ?
P1 Pt1 P2 86.38(7) . . ?
S1 Pt1 P2 89.22(7) . . ?
C19 P1 C9 103.6(4) . . ?
C19 P1 C6 105.0(4) . . ?
C9 P1 C6 104.0(4) . . ?
C19 P1 Pt1 109.4(3) . . ?
C9 P1 Pt1 118.1(3) . . ?
C6 P1 Pt1 115.3(3) . . ?
C15 P2 C18 104.6(4) . . ?
C15 P2 C12 105.0(4) . . ?
C18 P2 C12 104.9(4) . . ?
C15 P2 Pt1 118.0(3) . . ?
C18 P2 Pt1 108.2(3) . . ?
C12 P2 Pt1 115.0(3) . . ?
C4 S1 Pt1 110.9(3) . . ?
C2 C1 Pt1 133.0(6) . . ?
C1 C2 C3 127.9(8) . . ?
C4 C3 C2 127.5(8) . . ?
C3 C4 C5 119.0(8) . . ?
C3 C4 S1 128.0(6) . . ?
C5 C4 S1 112.9(7) . . ?
N1 C5 C4 178.6(11) . . ?
C8 C6 C7 110.8(8) . . ?
C8 C6 P1 112.0(6) . . ?
C7 C6 P1 111.1(6) . . ?
C10 C9 C11 112.3(7) . . ?
C10 C9 P1 109.6(5) . . ?
C11 C9 P1 113.5(6) . . ?
C14 C12 C13 110.3(7) . . ?
C14 C12 P2 113.4(6) . . ?
C13 C12 P2 110.2(6) . . ?
C16 C15 C17 110.7(7) . . ?
C16 C15 P2 111.0(6) . . ?
C17 C15 P2 113.5(6) . . ?
C19 C18 P2 112.5(5) . . ?
C18 C19 P1 113.0(5) . . ?
C1B Pt2 P1B 92.8(3) . . ?
C1B Pt2 S1B 92.6(3) . . ?
P1B Pt2 S1B 173.09(8) . . ?
C1B Pt2 P2B 175.1(2) . . ?
P1B Pt2 P2B 86.29(8) . . ?
S1B Pt2 P2B 88.74(7) . . ?
C19B P1B C6B 104.4(4) . . ?
C19B P1B C9B 105.1(4) . . ?
C6B P1B C9B 104.3(4) . . ?
C19B P1B Pt2 109.0(3) . . ?
C6B P1B Pt2 118.3(3) . . ?
C9B P1B Pt2 114.6(3) . . ?
C18B P2B C15B 105.2(4) . . ?
C18B P2B C12B 104.6(4) . . ?
C15B P2B C12B 103.5(5) . . ?
C18B P2B Pt2 108.3(3) . . ?
C15B P2B Pt2 115.3(3) . . ?
C12B P2B Pt2 118.7(4) . . ?
C4B S1B Pt2 111.0(3) . . ?
C2B C1B Pt2 132.5(8) . . ?
C1B C2B C3B 128.9(9) . . ?
C4B C3B C2B 126.8(7) . . ?
C3B C4B C5B 121.3(8) . . ?
C3B C4B S1B 128.1(6) . . ?
C5B C4B S1B 110.6(7) . . ?
N1B C5B C4B 178.1(11) . . ?
C8B C6B C7B 111.1(8) . . ?
C8B C6B P1B 110.2(7) . . ?
C7B C6B P1B 113.0(7) . . ?
C11B C9B C10B 111.1(8) . . ?
C11B C9B P1B 112.8(7) . . ?
C10B C9B P1B 110.0(6) . . ?
C14B C12B C13B 110.8(9) . . ?
C14B C12B P2B 113.3(9) . . ?
C13B C12B P2B 110.9(7) . . ?
C17B C15B C16B 109.0(9) . . ?
C17B C15B P2B 113.3(8) . . ?
C16B C15B P2B 111.0(7) . . ?
C19B C18B P2B 111.8(6) . . ?
C18B C19B P1B 112.8(6) . . ?
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 C1 2.064(7) . ?
Pt1 P1 2.2590(19) . ?
Pt1 S1 2.280(2) . ?
Pt1 P2 2.3111(19) . ?
P1 C19 1.835(8) . ?
P1 C9 1.838(8) . ?
P1 C6 1.838(8) . ?
P2 C15 1.827(7) . ?
P2 C18 1.839(8) . ?
P2 C12 1.847(8) . ?
S1 C4 1.743(9) . ?
N1 C5 1.189(12) . ?
C1 C2 1.261(11) . ?
C2 C3 1.414(12) . ?
C3 C4 1.366(12) . ?
C4 C5 1.409(12) . ?
C6 C8 1.514(12) . ?
C6 C7 1.530(13) . ?
C9 C10 1.528(11) . ?
C9 C11 1.530(11) . ?
C12 C14 1.523(11) . ?
C12 C13 1.535(12) . ?
C15 C16 1.523(12) . ?
C15 C17 1.528(11) . ?
C18 C19 1.521(10) . ?
Pt2 C1B 2.044(7) . ?
Pt2 P1B 2.260(2) . ?
Pt2 S1B 2.268(2) . ?
Pt2 P2B 2.308(2) . ?
P1B C19B 1.826(8) . ?
P1B C6B 1.836(8) . ?
P1B C9B 1.842(9) . ?
P2B C18B 1.827(8) . ?
P2B C15B 1.835(10) . ?
P2B C12B 1.834(10) . ?
S1B C4B 1.758(8) . ?
N1B C5B 1.168(12) . ?
C1B C2B 1.261(11) . ?
C2B C3B 1.425(11) . ?
C3B C4B 1.334(11) . ?
C4B C5B 1.425(13) . ?
C6B C8B 1.517(13) . ?
C6B C7B 1.551(13) . ?
C9B C11B 1.504(13) . ?
C9B C10B 1.523(13) . ?
C12B C14B 1.533(14) . ?
C12B C13B 1.537(15) . ?
C15B C17B 1.517(13) . ?
C15B C16B 1.533(15) . ?
C18B C19B 1.531(11) . ?
