#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:24:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179842 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/38/7013812.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_7013812
loop_
_publ_author_name
'Burchell, Colin J.'
'Aucott, Stephen M.'
'Milton, Heather L.'
'Slawin, Alexandra M. Z.'
'Derek Woollins, J.'
_publ_section_title
;
 Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2-
 complexes.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              369
_journal_page_last               374
_journal_paper_doi               10.1039/b314949h
_journal_year                    2004
_chemical_formula_moiety         '[C34 H28 Fe P2].Pt.[C2 N2 S2]'
_chemical_formula_sum            'C36 H28 Fe N2 P2 Pt S2'
_chemical_formula_weight         865.60
_chemical_name_systematic
;
?
;
_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                99.062(2)
_cell_angle_beta                 95.808(2)
_cell_angle_gamma                101.906(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3113(13)
_cell_length_b                   9.5996(13)
_cell_length_c                   18.070(2)
_cell_measurement_reflns_used    88
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      12
_cell_volume                     1545.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      125(2)
_diffrn_detector_area_resol_mean 0.9
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7914
_diffrn_reflns_theta_full        23.32
_diffrn_reflns_theta_max         23.32
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    5.259
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.805340
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.780
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0316
_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)+(0.0355P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                3639
_reflns_number_total             4411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b314949h.txt
_cod_data_source_block           8
_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_original_cell_volume        1545.7(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013812
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 0.66584(3) 0.64428(3) 0.734441(15) 0.01669(9) Uani 1 1 d . . .
S1 S 0.57879(19) 0.45442(17) 0.79668(9) 0.0220(4) Uani 1 1 d . . .
S2 S 0.4913(2) 0.47327(19) 0.64380(10) 0.0279(4) Uani 1 1 d . . .
C1 C 0.4680(7) 0.3655(7) 0.7118(4) 0.0201(15) Uani 1 1 d . . .
N1 N 0.3792(6) 0.2377(6) 0.6986(3) 0.0260(14) Uani 1 1 d . . .
C2 C 0.3676(8) 0.1663(8) 0.7553(4) 0.0306(18) Uani 1 1 d . . .
N2 N 0.3473(7) 0.0901(6) 0.7998(4) 0.0410(17) Uani 1 1 d . . .
P1 P 0.82385(19) 0.77185(18) 0.83826(9) 0.0168(4) Uani 1 1 d . . .
C3 C 0.8245(7) 0.9611(7) 0.8627(3) 0.0187(15) Uani 1 1 d . . .
C4 C 0.6953(8) 1.0175(7) 0.8560(3) 0.0206(16) Uani 1 1 d . . .
H4A H 0.5970 0.9631 0.8386 0.025 Uiso 1 1 calc R . .
C5 C 0.7402(8) 1.1718(7) 0.8804(3) 0.0239(17) Uani 1 1 d . . .
H5A H 0.6768 1.2378 0.8827 0.029 Uiso 1 1 calc R . .
C6 C 0.8938(8) 1.2067(7) 0.9000(3) 0.0235(16) Uani 1 1 d . . .
H6A H 0.9524 1.3021 0.9171 0.028 Uiso 1 1 calc R . .
C7 C 0.9486(7) 1.0818(7) 0.8908(3) 0.0212(16) Uani 1 1 d . . .
H7A H 1.0494 1.0768 0.9012 0.025 Uiso 1 1 calc R . .
Fe1 Fe 0.84220(10) 1.10050(9) 0.79050(5) 0.0185(2) Uani 1 1 d . . .
C8 C 0.8025(7) 0.9900(6) 0.6834(3) 0.0174(15) Uani 1 1 d . . .
C9 C 0.9570(7) 1.0377(7) 0.7081(4) 0.0210(16) Uani 1 1 d . . .
H9A H 1.0263 0.9782 0.7119 0.025 Uiso 1 1 calc R . .
C10 C 0.9885(8) 1.1915(7) 0.7262(4) 0.0240(17) Uani 1 1 d . . .
H10A H 1.0837 1.2530 0.7439 0.029 Uiso 1 1 calc R . .
C11 C 0.8566(8) 1.2375(7) 0.7135(4) 0.0250(17) Uani 1 1 d . . .
H11A H 0.8470 1.3352 0.7211 0.030 Uiso 1 1 calc R . .
C12 C 0.7396(7) 1.1135(7) 0.6874(3) 0.0223(16) Uani 1 1 d . . .
H12A H 0.6379 1.1131 0.6749 0.027 Uiso 1 1 calc R . .
C13 C 1.0136(7) 0.7563(7) 0.8367(4) 0.0186(15) Uani 1 1 d . . .
C14 C 1.0543(7) 0.6820(7) 0.7740(4) 0.0199(16) Uani 1 1 d . . .
H14A H 0.9835 0.6451 0.7300 0.024 Uiso 1 1 calc R . .
C15 C 1.1987(8) 0.6590(7) 0.7735(5) 0.036(2) Uani 1 1 d . . .
H15A H 1.2237 0.6062 0.7295 0.043 Uiso 1 1 calc R . .
C16 C 1.3026(8) 0.7115(8) 0.8355(4) 0.0307(18) Uani 1 1 d . . .
H16A H 1.4000 0.6956 0.8353 0.037 Uiso 1 1 calc R . .
C17 C 1.2630(8) 0.7905(8) 0.9004(4) 0.0321(19) Uani 1 1 d . . .
H17A H 1.3350 0.8303 0.9437 0.039 Uiso 1 1 calc R . .
C18 C 1.1213(7) 0.8095(7) 0.9009(4) 0.0230(16) Uani 1 1 d . . .
H18A H 1.0952 0.8596 0.9454 0.028 Uiso 1 1 calc R . .
C19 C 0.7792(7) 0.7050(6) 0.9243(3) 0.0168(15) Uani 1 1 d . . .
C20 C 0.8210(7) 0.5808(7) 0.9402(4) 0.0213(16) Uani 1 1 d . . .
H20A H 0.8788 0.5347 0.9081 0.026 Uiso 1 1 calc R . .
C21 C 0.7789(8) 0.5239(7) 1.0024(4) 0.0269(17) Uani 1 1 d . . .
H21A H 0.8098 0.4400 1.0131 0.032 Uiso 1 1 calc R . .
C22 C 0.6949(8) 0.5855(8) 1.0479(4) 0.0309(19) Uani 1 1 d . . .
H22A H 0.6670 0.5449 1.0905 0.037 Uiso 1 1 calc R . .
C23 C 0.6487(8) 0.7084(8) 1.0330(4) 0.0330(19) Uani 1 1 d . . .
H23A H 0.5879 0.7512 1.0646 0.040 Uiso 1 1 calc R . .
C24 C 0.6928(7) 0.7674(7) 0.9715(4) 0.0233(16) Uani 1 1 d . . .
H24A H 0.6631 0.8523 0.9616 0.028 Uiso 1 1 calc R . .
P2 P 0.70255(19) 0.80137(18) 0.65192(9) 0.0178(4) Uani 1 1 d . . .
C25 C 0.5202(7) 0.8178(6) 0.6122(4) 0.0191(16) Uani 1 1 d . . .
C26 C 0.4242(8) 0.8466(8) 0.6599(4) 0.0302(18) Uani 1 1 d . . .
H26A H 0.4523 0.8590 0.7129 0.036 Uiso 1 1 calc R . .
C27 C 0.2807(8) 0.8587(8) 0.6309(5) 0.036(2) Uani 1 1 d . . .
H27A H 0.2135 0.8783 0.6653 0.044 Uiso 1 1 calc R . .
C28 C 0.2380(8) 0.8436(7) 0.5575(5) 0.0326(19) Uani 1 1 d . . .
H28A H 0.1421 0.8539 0.5393 0.039 Uiso 1 1 calc R . .
C29 C 0.3390(9) 0.8112(8) 0.5059(4) 0.038(2) Uani 1 1 d . . .
H29A H 0.3100 0.7993 0.4529 0.046 Uiso 1 1 calc R . .
C30 C 0.4776(8) 0.7976(7) 0.5331(4) 0.0298(18) Uani 1 1 d . . .
H30A H 0.5443 0.7748 0.4991 0.036 Uiso 1 1 calc R . .
C31 C 0.7890(7) 0.7457(7) 0.5700(3) 0.0199(16) Uani 1 1 d . . .
C32 C 0.8295(7) 0.8432(7) 0.5232(4) 0.0196(15) Uani 1 1 d . . .
H32A H 0.8245 0.9415 0.5376 0.024 Uiso 1 1 calc R . .
C33 C 0.8779(7) 0.7974(7) 0.4543(4) 0.0226(16) Uani 1 1 d . . .
H33A H 0.9049 0.8647 0.4220 0.027 Uiso 1 1 calc R . .
C34 C 0.8864(7) 0.6560(8) 0.4334(4) 0.0286(18) Uani 1 1 d . . .
H34A H 0.9180 0.6244 0.3866 0.034 Uiso 1 1 calc R . .
C35 C 0.8480(7) 0.5596(7) 0.4818(4) 0.0258(17) Uani 1 1 d . . .
H35A H 0.8554 0.4620 0.4676 0.031 Uiso 1 1 calc R . .
C36 C 0.7999(7) 0.6008(7) 0.5493(4) 0.0238(16) Uani 1 1 d . . .
H36A H 0.7743 0.5331 0.5815 0.029 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
P P 0.1023 0.0942 '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
P1 Pt1 P2 101.04(6) . . ?
P1 Pt1 S1 92.68(6) . . ?
P2 Pt1 S1 165.98(6) . . ?
P1 Pt1 S2 167.33(6) . . ?
P2 Pt1 S2 91.63(6) . . ?
S1 Pt1 S2 74.68(6) . . ?
C1 S1 Pt1 87.7(2) . . ?
C1 S2 Pt1 87.7(2) . . ?
N1 C1 S2 122.9(5) . . ?
N1 C1 S1 127.3(5) . . ?
S2 C1 S1 109.9(3) . . ?
C1 N1 C2 117.6(6) . . ?
N2 C2 N1 172.4(8) . . ?
C3 P1 C13 107.8(3) . . ?
C3 P1 C19 102.4(3) . . ?
C13 P1 C19 102.4(3) . . ?
C3 P1 Pt1 116.4(2) . . ?
C13 P1 Pt1 114.2(2) . . ?
C19 P1 Pt1 112.0(2) . . ?
C4 C3 C7 107.4(6) . . ?
C4 C3 P1 123.9(5) . . ?
C7 C3 P1 128.7(5) . . ?
C4 C3 Fe1 69.9(3) . . ?
C7 C3 Fe1 69.9(3) . . ?
P1 C3 Fe1 124.9(3) . . ?
C3 C4 C5 107.6(6) . . ?
C3 C4 Fe1 68.8(4) . . ?
C5 C4 Fe1 70.8(4) . . ?
C3 C4 H4A 126.2 . . ?
C5 C4 H4A 126.2 . . ?
Fe1 C4 H4A 125.8 . . ?
C6 C5 C4 107.4(6) . . ?
C6 C5 Fe1 69.3(4) . . ?
C4 C5 Fe1 67.9(4) . . ?
C6 C5 H5A 126.3 . . ?
C4 C5 H5A 126.3 . . ?
Fe1 C5 H5A 128.0 . . ?
C7 C6 C5 110.2(6) . . ?
C7 C6 Fe1 69.6(4) . . ?
C5 C6 Fe1 70.9(4) . . ?
C7 C6 H6A 124.9 . . ?
C5 C6 H6A 124.9 . . ?
Fe1 C6 H6A 126.2 . . ?
C6 C7 C3 107.4(6) . . ?
C6 C7 Fe1 70.4(4) . . ?
C3 C7 Fe1 68.2(3) . . ?
C6 C7 H7A 126.3 . . ?
C3 C7 H7A 126.3 . . ?
Fe1 C7 H7A 126.7 . . ?
C3 Fe1 C9 110.2(3) . . ?
C3 Fe1 C8 109.6(2) . . ?
C9 Fe1 C8 41.3(3) . . ?
C3 Fe1 C4 41.3(2) . . ?
C9 Fe1 C4 140.9(3) . . ?
C8 Fe1 C4 112.7(3) . . ?
C3 Fe1 C7 41.9(2) . . ?
C9 Fe1 C7 108.4(3) . . ?
C8 Fe1 C7 136.7(3) . . ?
C4 Fe1 C7 69.4(3) . . ?
C3 Fe1 C10 140.2(3) . . ?
C9 Fe1 C10 41.3(2) . . ?
C8 Fe1 C10 68.8(3) . . ?
C4 Fe1 C10 177.8(3) . . ?
C7 Fe1 C10 110.7(3) . . ?
C3 Fe1 C6 68.8(3) . . ?
C9 Fe1 C6 135.7(3) . . ?
C8 Fe1 C6 176.4(3) . . ?
C4 Fe1 C6 68.4(3) . . ?
C7 Fe1 C6 40.0(3) . . ?
C10 Fe1 C6 110.2(3) . . ?
C3 Fe1 C12 137.6(3) . . ?
C9 Fe1 C12 69.4(3) . . ?
C8 Fe1 C12 41.1(2) . . ?
C4 Fe1 C12 111.6(3) . . ?
C7 Fe1 C12 177.7(3) . . ?
C10 Fe1 C12 68.3(3) . . ?
C6 Fe1 C12 142.2(3) . . ?
C3 Fe1 C11 178.0(3) . . ?
C9 Fe1 C11 68.8(3) . . ?
C8 Fe1 C11 68.4(3) . . ?
C4 Fe1 C11 138.6(3) . . ?
C7 Fe1 C11 139.9(3) . . ?
C10 Fe1 C11 40.0(3) . . ?
C6 Fe1 C11 113.2(3) . . ?
C12 Fe1 C11 40.5(3) . . ?
C3 Fe1 C5 69.1(3) . . ?
C9 Fe1 C5 175.5(3) . . ?
C8 Fe1 C5 143.2(3) . . ?
C4 Fe1 C5 41.2(2) . . ?
C7 Fe1 C5 68.0(3) . . ?
C10 Fe1 C5 136.7(3) . . ?
C6 Fe1 C5 39.8(3) . . ?
C12 Fe1 C5 114.3(3) . . ?
C11 Fe1 C5 112.1(3) . . ?
C9 C8 C12 108.4(6) . . ?
C9 C8 P2 125.4(5) . . ?
C12 C8 P2 126.2(5) . . ?
C9 C8 Fe1 69.1(4) . . ?
C12 C8 Fe1 70.5(4) . . ?
P2 C8 Fe1 126.2(3) . . ?
C8 C9 C10 107.0(6) . . ?
C8 C9 Fe1 69.6(4) . . ?
C10 C9 Fe1 70.3(4) . . ?
C8 C9 H9A 126.5 . . ?
C10 C9 H9A 126.5 . . ?
Fe1 C9 H9A 125.2 . . ?
C11 C10 C9 108.8(6) . . ?
C11 C10 Fe1 70.9(4) . . ?
C9 C10 Fe1 68.5(4) . . ?
C11 C10 H10A 125.6 . . ?
C9 C10 H10A 125.6 . . ?
Fe1 C10 H10A 126.6 . . ?
C10 C11 C12 108.4(6) . . ?
C10 C11 Fe1 69.0(4) . . ?
C12 C11 Fe1 69.2(4) . . ?
C10 C11 H11A 125.8 . . ?
C12 C11 H11A 125.8 . . ?
Fe1 C11 H11A 127.6 . . ?
C11 C12 C8 107.4(6) . . ?
C11 C12 Fe1 70.3(4) . . ?
C8 C12 Fe1 68.5(4) . . ?
C11 C12 H12A 126.3 . . ?
C8 C12 H12A 126.3 . . ?
Fe1 C12 H12A 126.5 . . ?
C14 C13 C18 117.8(6) . . ?
C14 C13 P1 120.4(5) . . ?
C18 C13 P1 121.6(5) . . ?
C13 C14 C15 121.4(6) . . ?
C13 C14 H14A 119.3 . . ?
C15 C14 H14A 119.3 . . ?
C16 C15 C14 120.6(7) . . ?
C16 C15 H15A 119.7 . . ?
C14 C15 H15A 119.7 . . ?
C15 C16 C17 118.7(7) . . ?
C15 C16 H16A 120.6 . . ?
C17 C16 H16A 120.6 . . ?
C18 C17 C16 120.3(7) . . ?
C18 C17 H17A 119.9 . . ?
C16 C17 H17A 119.9 . . ?
C17 C18 C13 121.1(6) . . ?
C17 C18 H18A 119.4 . . ?
C13 C18 H18A 119.4 . . ?
C24 C19 C20 118.1(6) . . ?
C24 C19 P1 121.6(5) . . ?
C20 C19 P1 120.0(5) . . ?
C21 C20 C19 120.4(6) . . ?
C21 C20 H20A 119.8 . . ?
C19 C20 H20A 119.8 . . ?
C22 C21 C20 121.0(7) . . ?
C22 C21 H21A 119.5 . . ?
C20 C21 H21A 119.5 . . ?
C21 C22 C23 120.2(6) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C24 C23 C22 119.0(7) . . ?
C24 C23 H23A 120.5 . . ?
C22 C23 H23A 120.5 . . ?
C19 C24 C23 121.2(6) . . ?
C19 C24 H24A 119.4 . . ?
C23 C24 H24A 119.4 . . ?
C31 P2 C25 104.4(3) . . ?
C31 P2 C8 102.1(3) . . ?
C25 P2 C8 102.9(3) . . ?
C31 P2 Pt1 116.7(2) . . ?
C25 P2 Pt1 107.0(2) . . ?
C8 P2 Pt1 121.7(2) . . ?
C26 C25 C30 120.0(6) . . ?
C26 C25 P2 118.4(5) . . ?
C30 C25 P2 121.6(5) . . ?
C25 C26 C27 119.9(7) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 121.9(8) . . ?
C28 C27 H27A 119.1 . . ?
C26 C27 H27A 119.1 . . ?
C27 C28 C29 118.8(7) . . ?
C27 C28 H28A 120.6 . . ?
C29 C28 H28A 120.6 . . ?
C30 C29 C28 120.0(7) . . ?
C30 C29 H29A 120.0 . . ?
C28 C29 H29A 120.0 . . ?
C29 C30 C25 119.4(7) . . ?
C29 C30 H30A 120.3 . . ?
C25 C30 H30A 120.3 . . ?
C32 C31 C36 119.8(6) . . ?
C32 C31 P2 119.0(5) . . ?
C36 C31 P2 120.8(5) . . ?
C31 C32 C33 120.1(6) . . ?
C31 C32 H32A 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C34 C33 C32 120.3(6) . . ?
C34 C33 H33A 119.9 . . ?
C32 C33 H33A 119.9 . . ?
C33 C34 C35 119.1(6) . . ?
C33 C34 H34A 120.5 . . ?
C35 C34 H34A 120.5 . . ?
C36 C35 C34 122.1(6) . . ?
C36 C35 H35A 119.0 . . ?
C34 C35 H35A 119.0 . . ?
C35 C36 C31 118.7(6) . . ?
C35 C36 H36A 120.6 . . ?
C31 C36 H36A 120.6 . . ?
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 P1 2.2711(17) . ?
Pt1 P2 2.2833(17) . ?
Pt1 S1 2.3375(16) . ?
Pt1 S2 2.3519(17) . ?
S1 C1 1.747(6) . ?
S2 C1 1.729(6) . ?
C1 N1 1.302(8) . ?
N1 C2 1.320(9) . ?
C2 N2 1.173(9) . ?
P1 C3 1.799(6) . ?
P1 C13 1.806(7) . ?
P1 C19 1.828(6) . ?
C3 C4 1.419(9) . ?
C3 C7 1.442(9) . ?
C3 Fe1 2.005(6) . ?
C4 C5 1.437(9) . ?
C4 Fe1 2.020(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(9) . ?
C5 Fe1 2.059(7) . ?
C5 H5A 0.9500 . ?
C6 C7 1.391(9) . ?
C6 Fe1 2.038(6) . ?
C6 H6A 0.9500 . ?
C7 Fe1 2.028(6) . ?
C7 H7A 0.9500 . ?
Fe1 C9 2.007(7) . ?
Fe1 C8 2.013(6) . ?
Fe1 C10 2.030(6) . ?
Fe1 C12 2.040(6) . ?
Fe1 C11 2.055(6) . ?
C8 C9 1.419(9) . ?
C8 C12 1.422(9) . ?
C8 P2 1.828(6) . ?
C9 C10 1.422(9) . ?
C9 H9A 0.9500 . ?
C10 C11 1.398(9) . ?
C10 H10A 0.9500 . ?
C11 C12 1.418(9) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.370(9) . ?
C13 C18 1.407(9) . ?
C14 C15 1.407(9) . ?
C14 H14A 0.9500 . ?
C15 C16 1.358(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.417(10) . ?
C16 H16A 0.9500 . ?
C17 C18 1.370(9) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C24 1.382(9) . ?
C19 C20 1.390(9) . ?
C20 C21 1.381(9) . ?
C20 H20A 0.9500 . ?
C21 C22 1.344(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.392(10) . ?
C22 H22A 0.9500 . ?
C23 C24 1.385(9) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
P2 C31 1.815(7) . ?
P2 C25 1.823(6) . ?
C25 C26 1.341(9) . ?
C25 C30 1.417(9) . ?
C26 C27 1.419(10) . ?
C26 H26A 0.9500 . ?
C27 C28 1.321(10) . ?
C27 H27A 0.9500 . ?
C28 C29 1.435(10) . ?
C28 H28A 0.9500 . ?
C29 C30 1.373(10) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 C32 1.379(8) . ?
C31 C36 1.409(9) . ?
C32 C33 1.403(9) . ?
C32 H32A 0.9500 . ?
C33 C34 1.372(9) . ?
C33 H33A 0.9500 . ?
C34 C35 1.388(9) . ?
C34 H34A 0.9500 . ?
C35 C36 1.370(9) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
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
P1 Pt1 S1 C1 -177.9(2) . . . . ?
P2 Pt1 S1 C1 14.0(4) . . . . ?
S2 Pt1 S1 C1 1.2(2) . . . . ?
P1 Pt1 S2 C1 2.6(4) . . . . ?
P2 Pt1 S2 C1 -178.2(2) . . . . ?
S1 Pt1 S2 C1 -1.3(2) . . . . ?
Pt1 S2 C1 N1 -178.3(6) . . . . ?
Pt1 S2 C1 S1 1.7(3) . . . . ?
Pt1 S1 C1 N1 178.3(6) . . . . ?
Pt1 S1 C1 S2 -1.7(3) . . . . ?
S2 C1 N1 C2 -178.5(5) . . . . ?
S1 C1 N1 C2 1.5(10) . . . . ?
C1 N1 C2 N2 -175(6) . . . . ?
P2 Pt1 P1 C3 43.7(2) . . . . ?
S1 Pt1 P1 C3 -133.4(2) . . . . ?
S2 Pt1 P1 C3 -137.1(4) . . . . ?
P2 Pt1 P1 C13 -83.1(2) . . . . ?
S1 Pt1 P1 C13 99.8(2) . . . . ?
S2 Pt1 P1 C13 96.1(4) . . . . ?
P2 Pt1 P1 C19 161.1(2) . . . . ?
S1 Pt1 P1 C19 -16.0(2) . . . . ?
S2 Pt1 P1 C19 -19.7(4) . . . . ?
C13 P1 C3 C4 168.0(5) . . . . ?
C19 P1 C3 C4 -84.5(5) . . . . ?
Pt1 P1 C3 C4 38.1(6) . . . . ?
C13 P1 C3 C7 -11.3(6) . . . . ?
C19 P1 C3 C7 96.2(6) . . . . ?
Pt1 P1 C3 C7 -141.2(5) . . . . ?
C13 P1 C3 Fe1 80.0(4) . . . . ?
C19 P1 C3 Fe1 -172.4(4) . . . . ?
Pt1 P1 C3 Fe1 -49.8(5) . . . . ?
C7 C3 C4 C5 -0.3(7) . . . . ?
P1 C3 C4 C5 -179.8(4) . . . . ?
Fe1 C3 C4 C5 -60.5(4) . . . . ?
C7 C3 C4 Fe1 60.2(4) . . . . ?
P1 C3 C4 Fe1 -119.3(5) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
Fe1 C4 C5 C6 -58.2(4) . . . . ?
C3 C4 C5 Fe1 59.2(4) . . . . ?
C4 C5 C6 C7 -1.3(7) . . . . ?
Fe1 C5 C6 C7 -58.7(5) . . . . ?
C4 C5 C6 Fe1 57.4(4) . . . . ?
C5 C6 C7 C3 1.1(7) . . . . ?
Fe1 C6 C7 C3 -58.3(4) . . . . ?
C5 C6 C7 Fe1 59.4(5) . . . . ?
C4 C3 C7 C6 -0.4(7) . . . . ?
P1 C3 C7 C6 179.0(5) . . . . ?
Fe1 C3 C7 C6 59.7(4) . . . . ?
C4 C3 C7 Fe1 -60.2(4) . . . . ?
P1 C3 C7 Fe1 119.2(5) . . . . ?
C4 C3 Fe1 C9 -146.5(4) . . . . ?
C7 C3 Fe1 C9 95.3(4) . . . . ?
P1 C3 Fe1 C9 -28.5(5) . . . . ?
C4 C3 Fe1 C8 -102.4(4) . . . . ?
C7 C3 Fe1 C8 139.4(4) . . . . ?
P1 C3 Fe1 C8 15.6(5) . . . . ?
C7 C3 Fe1 C4 -118.2(5) . . . . ?
P1 C3 Fe1 C4 118.0(6) . . . . ?
C4 C3 Fe1 C7 118.2(5) . . . . ?
P1 C3 Fe1 C7 -123.8(6) . . . . ?
C4 C3 Fe1 C10 177.6(4) . . . . ?
C7 C3 Fe1 C10 59.4(5) . . . . ?
P1 C3 Fe1 C10 -64.5(6) . . . . ?
C4 C3 Fe1 C6 81.1(4) . . . . ?
C7 C3 Fe1 C6 -37.1(4) . . . . ?
P1 C3 Fe1 C6 -161.0(5) . . . . ?
C4 C3 Fe1 C12 -65.2(5) . . . . ?
C7 C3 Fe1 C12 176.6(4) . . . . ?
P1 C3 Fe1 C12 52.7(6) . . . . ?
C4 C3 Fe1 C11 -87(8) . . . . ?
C7 C3 Fe1 C11 155(8) . . . . ?
P1 C3 Fe1 C11 31(8) . . . . ?
C4 C3 Fe1 C5 38.3(4) . . . . ?
C7 C3 Fe1 C5 -79.9(4) . . . . ?
P1 C3 Fe1 C5 156.2(5) . . . . ?
C5 C4 Fe1 C3 118.6(5) . . . . ?
C3 C4 Fe1 C9 55.2(6) . . . . ?
C5 C4 Fe1 C9 173.8(4) . . . . ?
C3 C4 Fe1 C8 94.3(4) . . . . ?
C5 C4 Fe1 C8 -147.1(4) . . . . ?
C3 C4 Fe1 C7 -38.9(4) . . . . ?
C5 C4 Fe1 C7 79.6(4) . . . . ?
C3 C4 Fe1 C10 -134(7) . . . . ?
C5 C4 Fe1 C10 -16(7) . . . . ?
C3 C4 Fe1 C6 -81.9(4) . . . . ?
C5 C4 Fe1 C6 36.6(4) . . . . ?
C3 C4 Fe1 C12 138.8(4) . . . . ?
C5 C4 Fe1 C12 -102.6(4) . . . . ?
C3 C4 Fe1 C11 177.0(4) . . . . ?
C5 C4 Fe1 C11 -64.5(6) . . . . ?
C3 C4 Fe1 C5 -118.6(5) . . . . ?
C6 C7 Fe1 C3 -119.0(6) . . . . ?
C6 C7 Fe1 C9 140.9(4) . . . . ?
C3 C7 Fe1 C9 -100.1(4) . . . . ?
C6 C7 Fe1 C8 177.7(4) . . . . ?
C3 C7 Fe1 C8 -63.3(5) . . . . ?
C6 C7 Fe1 C4 -80.6(4) . . . . ?
C3 C7 Fe1 C4 38.4(4) . . . . ?
C6 C7 Fe1 C10 97.1(4) . . . . ?
C3 C7 Fe1 C10 -143.9(4) . . . . ?
C3 C7 Fe1 C6 119.0(6) . . . . ?
C6 C7 Fe1 C12 161(6) . . . . ?
C3 C7 Fe1 C12 -80(6) . . . . ?
C6 C7 Fe1 C11 62.3(6) . . . . ?
C3 C7 Fe1 C11 -178.7(4) . . . . ?
C6 C7 Fe1 C5 -36.2(4) . . . . ?
C3 C7 Fe1 C5 82.8(4) . . . . ?
C7 C6 Fe1 C3 38.8(4) . . . . ?
C5 C6 Fe1 C3 -82.4(4) . . . . ?
C7 C6 Fe1 C9 -58.8(5) . . . . ?
C5 C6 Fe1 C9 179.9(4) . . . . ?
C7 C6 Fe1 C8 -25(4) . . . . ?
C5 C6 Fe1 C8 -147(4) . . . . ?
C7 C6 Fe1 C4 83.3(4) . . . . ?
C5 C6 Fe1 C4 -37.9(4) . . . . ?
C5 C6 Fe1 C7 -121.2(6) . . . . ?
C7 C6 Fe1 C10 -98.5(4) . . . . ?
C5 C6 Fe1 C10 140.2(4) . . . . ?
C7 C6 Fe1 C12 -178.8(4) . . . . ?
C5 C6 Fe1 C12 60.0(6) . . . . ?
C7 C6 Fe1 C11 -141.6(4) . . . . ?
C5 C6 Fe1 C11 97.1(4) . . . . ?
C7 C6 Fe1 C5 121.2(6) . . . . ?
C6 C5 Fe1 C3 81.5(4) . . . . ?
C4 C5 Fe1 C3 -38.4(4) . . . . ?
C6 C5 Fe1 C9 -1(3) . . . . ?
C4 C5 Fe1 C9 -120(3) . . . . ?
C6 C5 Fe1 C8 176.7(4) . . . . ?
C4 C5 Fe1 C8 56.8(6) . . . . ?
C6 C5 Fe1 C4 119.9(6) . . . . ?
C6 C5 Fe1 C7 36.4(4) . . . . ?
C4 C5 Fe1 C7 -83.5(4) . . . . ?
C6 C5 Fe1 C10 -61.0(6) . . . . ?
C4 C5 Fe1 C10 179.1(4) . . . . ?
C4 C5 Fe1 C6 -119.9(6) . . . . ?
C6 C5 Fe1 C12 -144.4(4) . . . . ?
C4 C5 Fe1 C12 95.7(4) . . . . ?
C6 C5 Fe1 C11 -100.2(4) . . . . ?
C4 C5 Fe1 C11 139.9(4) . . . . ?
C3 Fe1 C8 C9 -98.7(4) . . . . ?
C4 Fe1 C8 C9 -143.0(4) . . . . ?
C7 Fe1 C8 C9 -59.4(5) . . . . ?
C10 Fe1 C8 C9 38.8(4) . . . . ?
C6 Fe1 C8 C9 -36(4) . . . . ?
C12 Fe1 C8 C9 119.6(5) . . . . ?
C11 Fe1 C8 C9 81.9(4) . . . . ?
C5 Fe1 C8 C9 -179.7(4) . . . . ?
C3 Fe1 C8 C12 141.7(4) . . . . ?
C9 Fe1 C8 C12 -119.6(5) . . . . ?
C4 Fe1 C8 C12 97.4(4) . . . . ?
C7 Fe1 C8 C12 -179.0(4) . . . . ?
C10 Fe1 C8 C12 -80.8(4) . . . . ?
C6 Fe1 C8 C12 -155(4) . . . . ?
C11 Fe1 C8 C12 -37.7(4) . . . . ?
C5 Fe1 C8 C12 60.7(5) . . . . ?
C3 Fe1 C8 P2 20.6(5) . . . . ?
C9 Fe1 C8 P2 119.3(6) . . . . ?
C4 Fe1 C8 P2 -23.7(5) . . . . ?
C7 Fe1 C8 P2 59.9(6) . . . . ?
C10 Fe1 C8 P2 158.0(5) . . . . ?
C6 Fe1 C8 P2 84(4) . . . . ?
C12 Fe1 C8 P2 -121.1(6) . . . . ?
C11 Fe1 C8 P2 -158.8(5) . . . . ?
C5 Fe1 C8 P2 -60.4(6) . . . . ?
C12 C8 C9 C10 -0.9(7) . . . . ?
P2 C8 C9 C10 179.1(4) . . . . ?
Fe1 C8 C9 C10 -60.6(4) . . . . ?
C12 C8 C9 Fe1 59.7(4) . . . . ?
P2 C8 C9 Fe1 -120.2(5) . . . . ?
C3 Fe1 C9 C8 97.1(4) . . . . ?
C4 Fe1 C9 C8 61.8(6) . . . . ?
C7 Fe1 C9 C8 141.5(4) . . . . ?
C10 Fe1 C9 C8 -117.7(5) . . . . ?
C6 Fe1 C9 C8 177.0(4) . . . . ?
C12 Fe1 C9 C8 -37.6(4) . . . . ?
C11 Fe1 C9 C8 -81.1(4) . . . . ?
C5 Fe1 C9 C8 177(3) . . . . ?
C3 Fe1 C9 C10 -145.3(4) . . . . ?
C8 Fe1 C9 C10 117.7(5) . . . . ?
C4 Fe1 C9 C10 179.4(4) . . . . ?
C7 Fe1 C9 C10 -100.8(4) . . . . ?
C6 Fe1 C9 C10 -65.3(5) . . . . ?
C12 Fe1 C9 C10 80.1(4) . . . . ?
C11 Fe1 C9 C10 36.6(4) . . . . ?
C5 Fe1 C9 C10 -65(3) . . . . ?
C8 C9 C10 C11 0.5(7) . . . . ?
Fe1 C9 C10 C11 -59.7(5) . . . . ?
C8 C9 C10 Fe1 60.2(4) . . . . ?
C3 Fe1 C10 C11 176.9(4) . . . . ?
C9 Fe1 C10 C11 120.2(6) . . . . ?
C8 Fe1 C10 C11 81.3(4) . . . . ?
C4 Fe1 C10 C11 -51(7) . . . . ?
C7 Fe1 C10 C11 -145.2(4) . . . . ?
C6 Fe1 C10 C11 -102.4(4) . . . . ?
C12 Fe1 C10 C11 37.1(4) . . . . ?
C5 Fe1 C10 C11 -65.8(5) . . . . ?
C3 Fe1 C10 C9 56.7(6) . . . . ?
C8 Fe1 C10 C9 -38.9(4) . . . . ?
C4 Fe1 C10 C9 -171(7) . . . . ?
C7 Fe1 C10 C9 94.6(4) . . . . ?
C6 Fe1 C10 C9 137.4(4) . . . . ?
C12 Fe1 C10 C9 -83.2(4) . . . . ?
C11 Fe1 C10 C9 -120.2(6) . . . . ?
C5 Fe1 C10 C9 174.0(4) . . . . ?
C9 C10 C11 C12 0.1(7) . . . . ?
Fe1 C10 C11 C12 -58.1(4) . . . . ?
C9 C10 C11 Fe1 58.2(4) . . . . ?
C3 Fe1 C11 C10 -98(8) . . . . ?
C9 Fe1 C11 C10 -37.7(4) . . . . ?
C8 Fe1 C11 C10 -82.2(4) . . . . ?
C4 Fe1 C11 C10 177.4(4) . . . . ?
C7 Fe1 C11 C10 56.0(6) . . . . ?
C6 Fe1 C11 C10 94.3(4) . . . . ?
C12 Fe1 C11 C10 -120.5(6) . . . . ?
C5 Fe1 C11 C10 137.5(4) . . . . ?
C3 Fe1 C11 C12 22(8) . . . . ?
C9 Fe1 C11 C12 82.8(4) . . . . ?
C8 Fe1 C11 C12 38.2(4) . . . . ?
C4 Fe1 C11 C12 -62.1(6) . . . . ?
C7 Fe1 C11 C12 176.4(4) . . . . ?
C10 Fe1 C11 C12 120.5(6) . . . . ?
C6 Fe1 C11 C12 -145.3(4) . . . . ?
C5 Fe1 C11 C12 -102.0(4) . . . . ?
C10 C11 C12 C8 -0.6(7) . . . . ?
Fe1 C11 C12 C8 -58.6(4) . . . . ?
C10 C11 C12 Fe1 58.0(4) . . . . ?
C9 C8 C12 C11 1.0(7) . . . . ?
P2 C8 C12 C11 -179.1(5) . . . . ?
Fe1 C8 C12 C11 59.8(4) . . . . ?
C9 C8 C12 Fe1 -58.8(4) . . . . ?
P2 C8 C12 Fe1 121.1(5) . . . . ?
C3 Fe1 C12 C11 -178.9(4) . . . . ?
C9 Fe1 C12 C11 -81.0(4) . . . . ?
C8 Fe1 C12 C11 -118.8(6) . . . . ?
C4 Fe1 C12 C11 141.0(4) . . . . ?
C7 Fe1 C12 C11 -102(6) . . . . ?
C10 Fe1 C12 C11 -36.6(4) . . . . ?
C6 Fe1 C12 C11 58.7(6) . . . . ?
C5 Fe1 C12 C11 96.1(4) . . . . ?
C3 Fe1 C12 C8 -60.0(5) . . . . ?
C9 Fe1 C12 C8 37.8(4) . . . . ?
C4 Fe1 C12 C8 -100.2(4) . . . . ?
C7 Fe1 C12 C8 17(6) . . . . ?
C10 Fe1 C12 C8 82.2(4) . . . . ?
C6 Fe1 C12 C8 177.5(4) . . . . ?
C11 Fe1 C12 C8 118.8(6) . . . . ?
C5 Fe1 C12 C8 -145.0(4) . . . . ?
C3 P1 C13 C14 -126.2(5) . . . . ?
C19 P1 C13 C14 126.2(5) . . . . ?
Pt1 P1 C13 C14 4.9(6) . . . . ?
C3 P1 C13 C18 58.8(6) . . . . ?
C19 P1 C13 C18 -48.8(6) . . . . ?
Pt1 P1 C13 C18 -170.1(4) . . . . ?
C18 C13 C14 C15 0.1(9) . . . . ?
P1 C13 C14 C15 -175.1(5) . . . . ?
C13 C14 C15 C16 -0.6(10) . . . . ?
C14 C15 C16 C17 -0.3(10) . . . . ?
C15 C16 C17 C18 1.8(10) . . . . ?
C16 C17 C18 C13 -2.3(9) . . . . ?
C14 C13 C18 C17 1.4(9) . . . . ?
P1 C13 C18 C17 176.5(5) . . . . ?
C3 P1 C19 C24 30.0(6) . . . . ?
C13 P1 C19 C24 141.7(5) . . . . ?
Pt1 P1 C19 C24 -95.5(5) . . . . ?
C3 P1 C19 C20 -155.8(5) . . . . ?
C13 P1 C19 C20 -44.1(6) . . . . ?
Pt1 P1 C19 C20 78.6(5) . . . . ?
C24 C19 C20 C21 -1.2(9) . . . . ?
P1 C19 C20 C21 -175.5(5) . . . . ?
C19 C20 C21 C22 1.2(10) . . . . ?
C20 C21 C22 C23 0.0(10) . . . . ?
C21 C22 C23 C24 -1.1(10) . . . . ?
C20 C19 C24 C23 0.0(9) . . . . ?
P1 C19 C24 C23 174.3(5) . . . . ?
C22 C23 C24 C19 1.1(10) . . . . ?
C9 C8 P2 C31 -61.8(6) . . . . ?
C12 C8 P2 C31 118.3(6) . . . . ?
Fe1 C8 P2 C31 -150.5(4) . . . . ?
C9 C8 P2 C25 -169.8(5) . . . . ?
C12 C8 P2 C25 10.2(6) . . . . ?
Fe1 C8 P2 C25 101.5(4) . . . . ?
C9 C8 P2 Pt1 70.5(6) . . . . ?
C12 C8 P2 Pt1 -109.4(5) . . . . ?
Fe1 C8 P2 Pt1 -18.2(5) . . . . ?
P1 Pt1 P2 C31 113.2(2) . . . . ?
S1 Pt1 P2 C31 -78.9(4) . . . . ?
S2 Pt1 P2 C31 -66.6(2) . . . . ?
P1 Pt1 P2 C25 -130.4(2) . . . . ?
S1 Pt1 P2 C25 37.5(4) . . . . ?
S2 Pt1 P2 C25 49.8(2) . . . . ?
P1 Pt1 P2 C8 -12.8(3) . . . . ?
S1 Pt1 P2 C8 155.2(3) . . . . ?
S2 Pt1 P2 C8 167.4(3) . . . . ?
C31 P2 C25 C26 174.7(5) . . . . ?
C8 P2 C25 C26 -79.0(6) . . . . ?
Pt1 P2 C25 C26 50.4(6) . . . . ?
C31 P2 C25 C30 -3.9(6) . . . . ?
C8 P2 C25 C30 102.4(6) . . . . ?
Pt1 P2 C25 C30 -128.2(5) . . . . ?
C30 C25 C26 C27 -0.8(10) . . . . ?
P2 C25 C26 C27 -179.4(5) . . . . ?
C25 C26 C27 C28 -0.6(11) . . . . ?
C26 C27 C28 C29 1.2(10) . . . . ?
C27 C28 C29 C30 -0.4(10) . . . . ?
C28 C29 C30 C25 -0.9(10) . . . . ?
C26 C25 C30 C29 1.5(10) . . . . ?
P2 C25 C30 C29 -179.9(5) . . . . ?
C25 P2 C31 C32 69.6(5) . . . . ?
C8 P2 C31 C32 -37.3(6) . . . . ?
Pt1 P2 C31 C32 -172.5(4) . . . . ?
C25 P2 C31 C36 -103.3(6) . . . . ?
C8 P2 C31 C36 149.8(5) . . . . ?
Pt1 P2 C31 C36 14.6(6) . . . . ?
C36 C31 C32 C33 1.5(9) . . . . ?
P2 C31 C32 C33 -171.4(5) . . . . ?
C31 C32 C33 C34 -0.5(10) . . . . ?
C32 C33 C34 C35 -0.7(10) . . . . ?
C33 C34 C35 C36 1.0(10) . . . . ?
C34 C35 C36 C31 0.0(10) . . . . ?
C32 C31 C36 C35 -1.3(9) . . . . ?
P2 C31 C36 C35 171.5(5) . . . . ?
