#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/95/4319506.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_4319506
loop_
_publ_author_name
'Tristram Chivers'
'Chantall Fedorchuk'
'Mark Krahn'
'Masood Parvez'
'Gabriele Schatte'
_publ_contact_author_address
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
_publ_contact_author_email       chivers@ucalgary.ca
_publ_contact_author_fax         '001 403 289 9488'
_publ_contact_author_name        'Dr Tristram Chivers'
_publ_contact_author_phone       '001 403 220 5741'
_publ_section_title
;
 Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S)
 Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a
 Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1936
_journal_page_last               1942
_journal_paper_doi               10.1021/ic001173s
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C28 H66 N4 P1 Pt S2,(C6H6)'
_chemical_formula_sum            'C34 H72 N4 P Pt S2'
_chemical_formula_weight         920.05
_chemical_name_systematic
;
 ?
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.30(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.479(6)
_cell_length_b                   21.782(7)
_cell_length_c                   17.048(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      17.46
_cell_measurement_theta_min      14.71
_cell_volume                     4559(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1995)'
_computing_molecular_graphics    'teXsan (MSC, 1995)'
_computing_publication_material  'teXsan (MSC, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       ω-2θ
_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  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8028
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.335
_exptl_absorpt_correction_T_max  0.5551
_exptl_absorpt_correction_T_min  0.2974
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
 North, Phillips & Matthews, 1968
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.005
_refine_diff_density_min         -2.107
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         8028
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+183.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                4838
_reflns_number_total             8028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001173s_1.cif
_cod_data_source_block           9(C6H6)
_cod_original_formula_sum        'C34 H72 N4 P1 Pt S2'
_cod_database_code               4319506
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 0.37172(5) 0.20101(3) 0.47703(3) 0.02768(17) Uani 1 1 d . . .
S1 S 0.2206(4) 0.2639(2) 0.4890(3) 0.0448(11) Uani 1 1 d . . .
S2 S 0.3581(3) 0.12768(19) 0.5776(2) 0.0366(10) Uani 1 1 d . . .
P4 P 0.3758(3) 0.2711(2) 0.3760(2) 0.0330(9) Uani 1 1 d . . .
P3 P 0.5255(3) 0.14912(19) 0.4622(2) 0.0300(9) Uani 1 1 d . . .
P2 P 0.1457(3) 0.24147(17) 0.5836(2) 0.0249(8) Uani 1 1 d . . .
P1 P 0.2344(3) 0.1452(2) 0.6406(2) 0.0293(9) Uani 1 1 d . . .
N1 N 0.0557(10) 0.2845(6) 0.5983(7) 0.032(3) Uani 1 1 d . . .
N2 N 0.1211(9) 0.1656(5) 0.5778(7) 0.026(3) Uani 1 1 d . . .
N3 N 0.2400(9) 0.2219(5) 0.6631(6) 0.027(3) Uani 1 1 d . . .
N4 N 0.2197(10) 0.0991(6) 0.7051(8) 0.038(3) Uani 1 1 d . . .
C1 C 0.2457(13) 0.2744(10) 0.3057(10) 0.055(5) Uani 1 1 d . . .
H1A H 0.1888 0.2915 0.3332 0.066 Uiso 1 1 calc R . .
H1B H 0.2532 0.3023 0.2611 0.066 Uiso 1 1 calc R . .
C2 C 0.2100(15) 0.2112(8) 0.2724(11) 0.055(5) Uani 1 1 d . . .
H2A H 0.2717 0.1905 0.2555 0.083 Uiso 1 1 calc R . .
H2B H 0.1507 0.2158 0.2266 0.083 Uiso 1 1 calc R . .
H2C H 0.1846 0.1868 0.3138 0.083 Uiso 1 1 calc R . .
C3 C 0.4727(15) 0.2647(10) 0.3071(11) 0.061(6) Uani 1 1 d . . .
H3A H 0.5466 0.2585 0.3386 0.073 Uiso 1 1 calc R . .
H3B H 0.4542 0.2278 0.2735 0.073 Uiso 1 1 calc R . .
C4 C 0.4750(17) 0.3216(10) 0.2516(12) 0.071(7) Uani 1 1 d . . .
H4A H 0.4256 0.3145 0.2009 0.106 Uiso 1 1 calc R . .
H4B H 0.5492 0.3278 0.2417 0.106 Uiso 1 1 calc R . .
H4C H 0.4515 0.3582 0.2774 0.106 Uiso 1 1 calc R . .
C5 C 0.3937(14) 0.3493(7) 0.4147(10) 0.044(4) Uani 1 1 d . . .
H5A H 0.3853 0.3783 0.3693 0.053 Uiso 1 1 calc R . .
H5B H 0.3355 0.3583 0.4456 0.053 Uiso 1 1 calc R . .
C6 C 0.5034(19) 0.3601(12) 0.4675(14) 0.090(8) Uani 1 1 d . . .
H6A H 0.5077 0.4027 0.4865 0.135 Uiso 1 1 calc R . .
H6B H 0.5615 0.3525 0.4370 0.135 Uiso 1 1 calc R . .
H6C H 0.5118 0.3322 0.5133 0.135 Uiso 1 1 calc R . .
C7 C 0.5246(12) 0.1156(6) 0.3633(9) 0.031(3) Uani 1 1 d . . .
H7A H 0.5180 0.1490 0.3234 0.037 Uiso 1 1 calc R . .
H7B H 0.5950 0.0946 0.3633 0.037 Uiso 1 1 calc R . .
C8 C 0.4346(16) 0.0708(9) 0.3386(11) 0.056(5) Uani 1 1 d . . .
H8A H 0.4517 0.0322 0.3677 0.084 Uiso 1 1 calc R . .
H8B H 0.4263 0.0631 0.2812 0.084 Uiso 1 1 calc R . .
H8C H 0.3665 0.0876 0.3507 0.084 Uiso 1 1 calc R . .
C9 C 0.6472(11) 0.1973(9) 0.4843(9) 0.039(4) Uani 1 1 d . . .
H9A H 0.7094 0.1751 0.4689 0.047 Uiso 1 1 calc R . .
H9B H 0.6352 0.2352 0.4518 0.047 Uiso 1 1 calc R . .
C10 C 0.6758(16) 0.2149(10) 0.5720(11) 0.070(6) Uani 1 1 d . . .
H10A H 0.6118 0.2328 0.5892 0.105 Uiso 1 1 calc R . .
H10B H 0.7352 0.2449 0.5793 0.105 Uiso 1 1 calc R . .
H10C H 0.6988 0.1782 0.6038 0.105 Uiso 1 1 calc R . .
C11 C 0.5645(12) 0.0820(7) 0.5265(9) 0.033(4) Uani 1 1 d . . .
H11A H 0.5744 0.0956 0.5828 0.040 Uiso 1 1 calc R . .
H11B H 0.5034 0.0523 0.5178 0.040 Uiso 1 1 calc R . .
C12 C 0.6685(14) 0.0483(9) 0.5141(11) 0.057(5) Uani 1 1 d . . .
H12A H 0.6497 0.0166 0.4731 0.086 Uiso 1 1 calc R . .
H12B H 0.7031 0.0291 0.5642 0.086 Uiso 1 1 calc R . .
H12C H 0.7191 0.0777 0.4969 0.086 Uiso 1 1 calc R . .
C13 C 0.0066(13) 0.3423(7) 0.5691(9) 0.035(4) Uani 1 1 d . . .
C14 C -0.0732(19) 0.3593(11) 0.6224(13) 0.084(8) Uani 1 1 d . . .
H14A H -0.1287 0.3271 0.6197 0.126 Uiso 1 1 calc R . .
H14B H -0.1084 0.3983 0.6046 0.126 Uiso 1 1 calc R . .
H14C H -0.0345 0.3634 0.6774 0.126 Uiso 1 1 calc R . .
C15 C -0.049(2) 0.3368(11) 0.4839(11) 0.090(9) Uani 1 1 d . . .
H15A H 0.0020 0.3197 0.4521 0.135 Uiso 1 1 calc R . .
H15B H -0.0730 0.3775 0.4634 0.135 Uiso 1 1 calc R . .
H15C H -0.1122 0.3096 0.4806 0.135 Uiso 1 1 calc R . .
C16 C 0.0936(19) 0.3942(9) 0.5768(18) 0.096(9) Uani 1 1 d . . .
H16A H 0.1360 0.3944 0.6311 0.145 Uiso 1 1 calc R . .
H16B H 0.0572 0.4339 0.5655 0.145 Uiso 1 1 calc R . .
H16C H 0.1424 0.3869 0.5386 0.145 Uiso 1 1 calc R . .
C17 C 0.0460(12) 0.1279(8) 0.5199(10) 0.039(4) Uani 1 1 d . . .
C18 C -0.0160(17) 0.0831(9) 0.5659(12) 0.066(6) Uani 1 1 d . . .
H18A H 0.0363 0.0593 0.6039 0.099 Uiso 1 1 calc R . .
H18B H -0.0600 0.0551 0.5283 0.099 Uiso 1 1 calc R . .
H18C H -0.0636 0.1064 0.5949 0.099 Uiso 1 1 calc R . .
C19 C -0.038(2) 0.1682(13) 0.4722(17) 0.126(13) Uani 1 1 d . . .
H19A H -0.0655 0.1974 0.5077 0.189 Uiso 1 1 calc R . .
H19B H -0.0989 0.1429 0.4453 0.189 Uiso 1 1 calc R . .
H19C H -0.0061 0.1906 0.4324 0.189 Uiso 1 1 calc R . .
C20 C 0.1053(19) 0.0898(13) 0.4676(14) 0.106(11) Uani 1 1 d . . .
H20A H 0.1126 0.1134 0.4198 0.159 Uiso 1 1 calc R . .
H20B H 0.0641 0.0521 0.4519 0.159 Uiso 1 1 calc R . .
H20C H 0.1778 0.0792 0.4970 0.159 Uiso 1 1 calc R . .
C21 C 0.3149(12) 0.2582(8) 0.7191(9) 0.036(4) Uani 1 1 d . . .
C22 C 0.2522(16) 0.2862(13) 0.7769(13) 0.100(10) Uani 1 1 d . . .
H22A H 0.1959 0.3135 0.7484 0.150 Uiso 1 1 calc R . .
H22B H 0.3018 0.3099 0.8169 0.150 Uiso 1 1 calc R . .
H22C H 0.2179 0.2537 0.8035 0.150 Uiso 1 1 calc R . .
C23 C 0.3698(18) 0.3056(12) 0.6749(13) 0.084(7) Uani 1 1 d . . .
H23A H 0.4089 0.2849 0.6374 0.126 Uiso 1 1 calc R . .
H23B H 0.4213 0.3295 0.7131 0.126 Uiso 1 1 calc R . .
H23C H 0.3146 0.3331 0.6454 0.126 Uiso 1 1 calc R . .
C24 C 0.4033(17) 0.2172(11) 0.7645(13) 0.085(8) Uani 1 1 d . . .
H24A H 0.3796 0.1742 0.7591 0.128 Uiso 1 1 calc R . .
H24B H 0.4170 0.2286 0.8210 0.128 Uiso 1 1 calc R . .
H24C H 0.4704 0.2222 0.7428 0.128 Uiso 1 1 calc R . .
C25 C 0.2647(14) 0.0440(9) 0.7444(10) 0.043(4) Uani 1 1 d . . .
C26 C 0.221(2) -0.0114(11) 0.6969(14) 0.091(8) Uani 1 1 d . . .
H26A H 0.1414 -0.0110 0.6882 0.137 Uiso 1 1 calc R . .
H26B H 0.2482 -0.0487 0.7262 0.137 Uiso 1 1 calc R . .
H26C H 0.2456 -0.0109 0.6454 0.137 Uiso 1 1 calc R . .
C27 C 0.2254(18) 0.0432(11) 0.8247(12) 0.082(8) Uani 1 1 d . . .
H27A H 0.2650 0.0743 0.8601 0.123 Uiso 1 1 calc R . .
H27B H 0.2390 0.0025 0.8492 0.123 Uiso 1 1 calc R . .
H27C H 0.1472 0.0521 0.8162 0.123 Uiso 1 1 calc R . .
C28 C 0.3892(16) 0.0421(11) 0.7588(15) 0.089(9) Uani 1 1 d . . .
H28A H 0.4146 0.0497 0.7084 0.134 Uiso 1 1 calc R . .
H28B H 0.4145 0.0017 0.7796 0.134 Uiso 1 1 calc R . .
H28C H 0.4184 0.0739 0.7975 0.134 Uiso 1 1 calc R . .
C29 C 0.680(3) 0.0387(17) 0.865(2) 0.143(13) Uiso 1 1 d D . .
H29 H 0.6219 0.0496 0.8918 0.171 Uiso 1 1 calc R . .
C30 C 0.689(3) 0.0556(18) 0.787(2) 0.156(14) Uiso 1 1 d D . .
H30 H 0.6367 0.0834 0.7597 0.187 Uiso 1 1 calc R . .
C31 C 0.769(3) 0.0340(17) 0.748(2) 0.146(13) Uiso 1 1 d D . .
H31 H 0.7600 0.0496 0.6954 0.176 Uiso 1 1 calc R . .
C32 C 0.861(3) -0.004(2) 0.764(3) 0.21(2) Uiso 1 1 d D . .
H32 H 0.9160 -0.0178 0.7363 0.253 Uiso 1 1 calc R . .
C33 C 0.835(3) -0.014(2) 0.841(2) 0.171(16) Uiso 1 1 d D . .
H33 H 0.8812 -0.0463 0.8657 0.205 Uiso 1 1 calc R . .
C34 C 0.770(3) 0.003(2) 0.896(3) 0.191(18) Uiso 1 1 d D . .
H34 H 0.7862 -0.0079 0.9509 0.229 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
P3 Pt1 P4 96.53(14) . . ?
P3 Pt1 S1 174.27(16) . . ?
P4 Pt1 S1 78.79(14) . . ?
P3 Pt1 S2 85.24(14) . . ?
P4 Pt1 S2 177.01(15) . . ?
S1 Pt1 S2 99.57(13) . . ?
P2 S1 Pt1 114.2(2) . . ?
P1 S2 Pt1 114.1(2) . . ?
C5 P4 C1 103.6(9) . . ?
C5 P4 C3 104.5(9) . . ?
C1 P4 C3 101.1(8) . . ?
C5 P4 Pt1 111.4(6) . . ?
C1 P4 Pt1 112.2(6) . . ?
C3 P4 Pt1 122.1(6) . . ?
C9 P3 C7 106.7(7) . . ?
C9 P3 C11 102.2(8) . . ?
C7 P3 C11 100.9(7) . . ?
C9 P3 Pt1 112.1(6) . . ?
C7 P3 Pt1 115.6(5) . . ?
C11 P3 Pt1 117.8(5) . . ?
N1 P2 N2 118.9(7) . . ?
N1 P2 N3 117.0(6) . . ?
N2 P2 N3 83.8(6) . . ?
N1 P2 S1 115.8(5) . . ?
N2 P2 S1 107.0(5) . . ?
N3 P2 S1 109.9(4) . . ?
N1 P2 P1 138.3(5) . . ?
N2 P2 P1 42.0(4) . . ?
N3 P2 P1 43.4(4) . . ?
S1 P2 P1 105.9(2) . . ?
N4 P1 N2 116.1(7) . . ?
N4 P1 N3 119.1(7) . . ?
N2 P1 N3 83.1(6) . . ?
N4 P1 S2 116.8(5) . . ?
N2 P1 S2 109.9(4) . . ?
N3 P1 S2 106.9(4) . . ?
N4 P1 P2 137.3(5) . . ?
N2 P1 P2 42.3(4) . . ?
N3 P1 P2 42.5(4) . . ?
S2 P1 P2 105.9(2) . . ?
C13 N1 P2 139.5(10) . . ?
C17 N2 P1 129.8(10) . . ?
C17 N2 P2 132.2(11) . . ?
P1 N2 P2 95.7(6) . . ?
C21 N3 P2 132.1(10) . . ?
C21 N3 P1 132.6(10) . . ?
P2 N3 P1 94.1(6) . . ?
C25 N4 P1 143.0(10) . . ?
C2 C1 P4 111.8(13) . . ?
C4 C3 P4 114.3(13) . . ?
C6 C5 P4 113.5(14) . . ?
C8 C7 P3 113.6(11) . . ?
C10 C9 P3 112.8(12) . . ?
C12 C11 P3 115.9(11) . . ?
N1 C13 C14 106.9(13) . . ?
N1 C13 C15 110.9(14) . . ?
C14 C13 C15 111.2(17) . . ?
N1 C13 C16 110.9(14) . . ?
C14 C13 C16 107.3(17) . . ?
C15 C13 C16 109.6(18) . . ?
N2 C17 C20 112.4(14) . . ?
N2 C17 C19 109.7(15) . . ?
C20 C17 C19 112.0(19) . . ?
N2 C17 C18 109.0(14) . . ?
C20 C17 C18 107.3(17) . . ?
C19 C17 C18 106.2(18) . . ?
N3 C21 C22 107.8(13) . . ?
N3 C21 C24 109.8(14) . . ?
C22 C21 C24 108.8(17) . . ?
N3 C21 C23 109.9(14) . . ?
C22 C21 C23 112.8(19) . . ?
C24 C21 C23 107.6(16) . . ?
N4 C25 C26 110.3(16) . . ?
N4 C25 C28 113.4(15) . . ?
C26 C25 C28 108.9(18) . . ?
N4 C25 C27 105.4(14) . . ?
C26 C25 C27 109.2(18) . . ?
C28 C25 C27 109.5(17) . . ?
C34 C29 C30 108(4) . . ?
C31 C30 C29 124(4) . . ?
C30 C31 C32 138(4) . . ?
C31 C32 C33 88(3) . . ?
C34 C33 C32 146(4) . . ?
C29 C34 C33 115(4) . . ?
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 P3 2.280(4) . ?
Pt1 P4 2.310(4) . ?
Pt1 S1 2.370(4) . ?
Pt1 S2 2.372(4) . ?
S1 P2 2.061(5) . ?
S2 P1 2.068(5) . ?
P4 C5 1.825(16) . ?
P4 C1 1.839(17) . ?
P4 C3 1.836(16) . ?
P3 C9 1.829(15) . ?
P3 C7 1.836(15) . ?
P3 C11 1.841(15) . ?
P2 N1 1.518(12) . ?
P2 N2 1.681(11) . ?
P2 N3 1.683(12) . ?
P2 P1 2.487(6) . ?
P1 N4 1.523(13) . ?
P1 N2 1.674(12) . ?
P1 N3 1.713(13) . ?
N1 C13 1.448(18) . ?
N2 C17 1.482(19) . ?
N3 C21 1.446(18) . ?
N4 C25 1.44(2) . ?
C1 C2 1.52(3) . ?
C3 C4 1.56(3) . ?
C5 C6 1.52(3) . ?
C7 C8 1.49(2) . ?
C9 C10 1.52(2) . ?
C11 C12 1.54(2) . ?
C13 C14 1.51(2) . ?
C13 C15 1.50(2) . ?
C13 C16 1.56(3) . ?
C17 C20 1.51(2) . ?
C17 C19 1.49(3) . ?
C17 C18 1.54(2) . ?
C21 C22 1.49(2) . ?
C21 C24 1.52(3) . ?
C21 C23 1.51(3) . ?
C25 C26 1.50(3) . ?
C25 C28 1.53(2) . ?
C25 C27 1.53(2) . ?
C29 C34 1.39(2) . ?
C29 C30 1.40(2) . ?
C30 C31 1.38(2) . ?
C31 C32 1.40(2) . ?
C32 C33 1.43(2) . ?
C33 C34 1.40(2) . ?
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
P4 Pt1 S1 P2 -176.2(3) . . . . ?
S2 Pt1 S1 P2 6.3(3) . . . . ?
P3 Pt1 S2 P1 173.8(2) . . . . ?
S1 Pt1 S2 P1 -3.1(3) . . . . ?
P3 Pt1 P4 C5 -116.3(6) . . . . ?
S1 Pt1 P4 C5 60.3(6) . . . . ?
P3 Pt1 P4 C1 128.0(7) . . . . ?
S1 Pt1 P4 C1 -55.3(7) . . . . ?
P3 Pt1 P4 C3 8.0(9) . . . . ?
S1 Pt1 P4 C3 -175.4(9) . . . . ?
P4 Pt1 P3 C9 64.5(6) . . . . ?
S2 Pt1 P3 C9 -117.9(6) . . . . ?
P4 Pt1 P3 C7 -58.1(5) . . . . ?
S2 Pt1 P3 C7 119.5(5) . . . . ?
P4 Pt1 P3 C11 -177.4(6) . . . . ?
S2 Pt1 P3 C11 0.2(6) . . . . ?
Pt1 S1 P2 N1 174.2(6) . . . . ?
Pt1 S1 P2 N2 -50.7(5) . . . . ?
Pt1 S1 P2 N3 38.8(5) . . . . ?
Pt1 S1 P2 P1 -6.8(3) . . . . ?
Pt1 S2 P1 N4 178.8(6) . . . . ?
Pt1 S2 P1 N2 43.9(5) . . . . ?
Pt1 S2 P1 N3 -44.8(5) . . . . ?
Pt1 S2 P1 P2 -0.4(3) . . . . ?
N1 P2 P1 N4 4.1(12) . . . . ?
N2 P2 P1 N4 -76.7(10) . . . . ?
N3 P2 P1 N4 83.0(10) . . . . ?
S1 P2 P1 N4 -174.6(9) . . . . ?
N1 P2 P1 N2 80.9(10) . . . . ?
N3 P2 P1 N2 159.8(8) . . . . ?
S1 P2 P1 N2 -97.9(6) . . . . ?
N1 P2 P1 N3 -78.9(10) . . . . ?
N2 P2 P1 N3 -159.8(8) . . . . ?
S1 P2 P1 N3 102.3(6) . . . . ?
N1 P2 P1 S2 -176.8(8) . . . . ?
N2 P2 P1 S2 102.3(6) . . . . ?
N3 P2 P1 S2 -97.9(6) . . . . ?
S1 P2 P1 S2 4.4(3) . . . . ?
N2 P2 N1 C13 -135.4(16) . . . . ?
N3 P2 N1 C13 126.3(16) . . . . ?
S1 P2 N1 C13 -5.8(19) . . . . ?
P1 P2 N1 C13 175.5(13) . . . . ?
N4 P1 N2 C17 -63.4(14) . . . . ?
N3 P1 N2 C17 177.5(13) . . . . ?
S2 P1 N2 C17 71.9(13) . . . . ?
P2 P1 N2 C17 163.9(16) . . . . ?
N4 P1 N2 P2 132.7(7) . . . . ?
N3 P1 N2 P2 13.6(6) . . . . ?
S2 P1 N2 P2 -92.0(5) . . . . ?
N1 P2 N2 C17 65.3(15) . . . . ?
N3 P2 N2 C17 -177.1(13) . . . . ?
S1 P2 N2 C17 -68.1(13) . . . . ?
P1 P2 N2 C17 -163.3(16) . . . . ?
N1 P2 N2 P1 -131.4(7) . . . . ?
N3 P2 N2 P1 -13.8(6) . . . . ?
S1 P2 N2 P1 95.1(5) . . . . ?
N1 P2 N3 C21 -58.9(15) . . . . ?
N2 P2 N3 C21 -178.3(13) . . . . ?
S1 P2 N3 C21 75.8(13) . . . . ?
P1 P2 N3 C21 168.2(16) . . . . ?
N1 P2 N3 P1 132.9(7) . . . . ?
N2 P2 N3 P1 13.5(6) . . . . ?
S1 P2 N3 P1 -92.4(5) . . . . ?
N4 P1 N3 C21 62.3(15) . . . . ?
N2 P1 N3 C21 178.4(14) . . . . ?
S2 P1 N3 C21 -72.9(13) . . . . ?
P2 P1 N3 C21 -168.1(16) . . . . ?
N4 P1 N3 P2 -129.6(7) . . . . ?
N2 P1 N3 P2 -13.6(6) . . . . ?
S2 P1 N3 P2 95.2(5) . . . . ?
N2 P1 N4 C25 135(2) . . . . ?
N3 P1 N4 C25 -128(2) . . . . ?
S2 P1 N4 C25 3(2) . . . . ?
P2 P1 N4 C25 -178.1(18) . . . . ?
C5 P4 C1 C2 -174.4(12) . . . . ?
C3 P4 C1 C2 77.5(14) . . . . ?
Pt1 P4 C1 C2 -54.1(13) . . . . ?
C5 P4 C3 C4 -43.6(17) . . . . ?
C1 P4 C3 C4 63.8(18) . . . . ?
Pt1 P4 C3 C4 -171.0(12) . . . . ?
C1 P4 C5 C6 -173.2(14) . . . . ?
C3 P4 C5 C6 -67.7(16) . . . . ?
Pt1 P4 C5 C6 65.9(15) . . . . ?
C9 P3 C7 C8 175.5(13) . . . . ?
C11 P3 C7 C8 69.1(13) . . . . ?
Pt1 P3 C7 C8 -59.1(13) . . . . ?
C7 P3 C9 C10 -164.9(14) . . . . ?
C11 P3 C9 C10 -59.4(15) . . . . ?
Pt1 P3 C9 C10 67.6(15) . . . . ?
C9 P3 C11 C12 -57.0(14) . . . . ?
C7 P3 C11 C12 53.0(14) . . . . ?
Pt1 P3 C11 C12 179.7(11) . . . . ?
P2 N1 C13 C14 -173.2(17) . . . . ?
P2 N1 C13 C15 65(2) . . . . ?
P2 N1 C13 C16 -57(2) . . . . ?
P1 N2 C17 C20 -50(2) . . . . ?
P2 N2 C17 C20 108.4(19) . . . . ?
P1 N2 C17 C19 -174.9(17) . . . . ?
P2 N2 C17 C19 -17(2) . . . . ?
P1 N2 C17 C18 69.1(17) . . . . ?
P2 N2 C17 C18 -132.8(14) . . . . ?
P2 N3 C21 C22 77.7(19) . . . . ?
P1 N3 C21 C22 -118.3(17) . . . . ?
P2 N3 C21 C24 -163.9(13) . . . . ?
P1 N3 C21 C24 0(2) . . . . ?
P2 N3 C21 C23 -46(2) . . . . ?
P1 N3 C21 C23 118.3(16) . . . . ?
P1 N4 C25 C26 -84(2) . . . . ?
P1 N4 C25 C28 38(3) . . . . ?
P1 N4 C25 C27 158.0(19) . . . . ?
C34 C29 C30 C31 6(6) . . . . ?
C29 C30 C31 C32 -2(9) . . . . ?
C30 C31 C32 C33 1(7) . . . . ?
C31 C32 C33 C34 -9(9) . . . . ?
C30 C29 C34 C33 -10(6) . . . . ?
C32 C33 C34 C29 15(10) . . . . ?
