#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/12/7051287.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_7051287
loop_
_publ_author_name
'Gaw, Kirsty G.'
'Smith, Martin B.'
'Slawin, Alexandra M. Z.'
_publ_section_title
;
 Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I)
 and gold(I) complexes of a new methoxy functionalised
 bis(phosphino)amine: synthesis and structure
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              429
_journal_paper_doi               10.1039/b001458n
_journal_volume                  24
_journal_year                    2000
_chemical_formula_analytical     'C31.50 H27.50 Cl3.50 N O P2 Pt S'
_chemical_formula_moiety         'C31 H27 Cl2 N O P2 Pt S.(C H Cl3)0.5'
_chemical_formula_structural     'C31.50 H27.50 Cl3.50 N O P2 Pt S'
_chemical_formula_sum            'C31.5 H27.5 Cl3.5 N O P2 Pt S'
_chemical_formula_weight         849.21
_chemical_melting_point          ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 98.3840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0814(6)
_cell_length_b                   9.2086(4)
_cell_length_c                   25.0051(9)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      168
_cell_measurement_theta_min      12
_cell_volume                     3435.6(2)
_computing_cell_refinement       SMART/SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       CCD
_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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            14656
_diffrn_reflns_theta_max         23.23
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    4.536
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.616813
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    -
_exptl_crystal_description       plate
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .02
_refine_diff_density_max         1.200
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.00105(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.787
_refine_ls_goodness_of_fit_obs   0.806
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_restrained_S_obs      0.806
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_obs          0.0261
_refine_ls_shift/esd_max         0.314
_refine_ls_shift/esd_mean        0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0796P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1131
_refine_ls_wR_factor_obs         0.0752
_reflns_number_observed          4212
_reflns_number_total             4931
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b001458n.txt
_cod_data_source_block           10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/adriana/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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '-' was changed to '?' - the value is
undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value '-' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0796P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0796P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C31.50 H27.50 Cl3.50 N O P2 Pt S'
_cod_database_code               7051287
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.746625(10) -0.85575(2) 0.232956(6) 0.02982(11) Uani 1 d . .
Cl1 Cl 0.76698(9) -0.63912(13) 0.28304(6) 0.0480(3) Uani 1 d . .
Cl2 Cl 0.74177(9) -0.98414(15) 0.31214(5) 0.0523(3) Uani 1 d . .
S1 S 0.76316(9) -0.72466(14) 0.15699(5) 0.0446(3) Uani 1 d . .
P1 P 0.68156(9) -0.84496(13) 0.10365(5) 0.0341(3) Uani 1 d . .
N1 N 0.6988(2) -1.0219(4) 0.11950(14) 0.0324(8) Uani 1 d . .
P2 P 0.72932(7) -1.06127(12) 0.18754(5) 0.0293(3) Uani 1 d . .
C1 C 0.5661(3) -0.8005(5) 0.1060(2) 0.0395(11) Uani 1 d . .
C2 C 0.4970(4) -0.8888(6) 0.0798(2) 0.0501(13) Uani 1 d . .
H2A H 0.5108(4) -0.9705(6) 0.0607(2) 0.060 Uiso 1 calc R .
C3 C 0.4085(4) -0.8541(7) 0.0823(3) 0.064(2) Uani 1 d . .
H3A H 0.3628(4) -0.9126(7) 0.0651(3) 0.076 Uiso 1 calc R .
C4 C 0.3881(4) -0.7328(9) 0.1105(3) 0.075(2) Uani 1 d . .
H4A H 0.3286(4) -0.7104(9) 0.1127(3) 0.090 Uiso 1 calc R .
C5 C 0.4547(5) -0.6460(8) 0.1351(3) 0.080(2) Uani 1 d . .
H5A H 0.4406(5) -0.5629(8) 0.1532(3) 0.095 Uiso 1 calc R .
C6 C 0.5428(4) -0.6808(7) 0.1334(2) 0.058(2) Uani 1 d . .
H6A H 0.5877(4) -0.6217(7) 0.1512(2) 0.070 Uiso 1 calc R .
C7 C 0.7037(4) -0.8109(6) 0.0358(2) 0.0446(13) Uani 1 d . .
C8 C 0.6370(4) -0.7888(7) -0.0066(2) 0.059(2) Uani 1 d . .
H8A H 0.5775(4) -0.7949(7) -0.0010(2) 0.071 Uiso 1 calc R .
C9 C 0.6563(6) -0.7580(9) -0.0571(3) 0.086(2) Uani 1 d . .
H9A H 0.6097(6) -0.7432(9) -0.0853(3) 0.103 Uiso 1 calc R .
C10 C 0.7425(7) -0.7486(8) -0.0666(3) 0.091(2) Uani 1 d . .
H10A H 0.7552(7) -0.7308(8) -0.1013(3) 0.109 Uiso 1 calc R .
C11 C 0.8105(6) -0.7658(9) -0.0243(3) 0.094(3) Uani 1 d . .
H11A H 0.8697(6) -0.7586(9) -0.0304(3) 0.113 Uiso 1 calc R .
C12 C 0.7921(5) -0.7938(8) 0.0277(3) 0.074(2) Uani 1 d . .
H12A H 0.8385(5) -0.8009(8) 0.0565(3) 0.089 Uiso 1 calc R .
C13 C 0.6415(3) -1.1785(5) 0.2044(2) 0.0330(10) Uani 1 d . .
C14 C 0.5514(3) -1.1386(5) 0.1878(2) 0.0378(12) Uani 1 d . .
H14A H 0.5382(3) -1.0553(5) 0.1672(2) 0.045 Uiso 1 calc R .
C15 C 0.4831(3) -1.2221(6) 0.2020(2) 0.0413(12) Uani 1 d . .
H15A H 0.4238(3) -1.1962(6) 0.1904(2) 0.050 Uiso 1 calc R .
C16 C 0.5019(4) -1.3436(6) 0.2333(2) 0.0518(15) Uani 1 d . .
H16A H 0.4555(4) -1.3998(6) 0.2430(2) 0.062 Uiso 1 calc R .
C17 C 0.5904(4) -1.3827(6) 0.2505(3) 0.061(2) Uani 1 d . .
H17A H 0.6032(4) -1.4651(6) 0.2718(3) 0.073 Uiso 1 calc R .
C18 C 0.6590(3) -1.3005(6) 0.2363(2) 0.0439(12) Uani 1 d . .
H18A H 0.7180(3) -1.3271(6) 0.2483(2) 0.053 Uiso 1 calc R .
C19 C 0.8303(3) -1.1695(5) 0.1907(2) 0.0359(11) Uani 1 d . .
C20 C 0.8302(3) -1.3139(6) 0.1747(2) 0.0453(12) Uani 1 d . .
H20A H 0.7764(3) -1.3624(6) 0.1642(2) 0.054 Uiso 1 calc R .
C21 C 0.9111(4) -1.3849(7) 0.1745(3) 0.063(2) Uani 1 d . .
H21A H 0.9112(4) -1.4813(7) 0.1634(3) 0.075 Uiso 1 calc R .
C22 C 0.9908(4) -1.3157(7) 0.1904(3) 0.062(2) Uani 1 d . .
H22A H 1.0447(4) -1.3645(7) 0.1898(3) 0.074 Uiso 1 calc R .
C23 C 0.9908(4) -1.1750(7) 0.2068(3) 0.063(2) Uani 1 d . .
H23A H 1.0450(4) -1.1280(7) 0.2179(3) 0.075 Uiso 1 calc R .
C24 C 0.9113(3) -1.1013(6) 0.2073(2) 0.0474(13) Uani 1 d . .
H24A H 0.9122(3) -1.0053(6) 0.2188(2) 0.057 Uiso 1 calc R .
C25 C 0.6979(4) -1.1387(5) 0.0810(2) 0.0406(12) Uani 1 d . .
C26 C 0.7756(4) -1.1705(6) 0.0592(2) 0.0515(14) Uani 1 d . .
C27 C 0.7759(5) -1.2953(8) 0.0258(2) 0.070(2) Uani 1 d . .
H27A H 0.8265(5) -1.3175(8) 0.0100(2) 0.083 Uiso 1 calc R .
C28 C 0.7026(6) -1.3821(7) 0.0168(3) 0.074(2) Uani 1 d . .
H28A H 0.7051(6) -1.4642(7) -0.0046(3) 0.089 Uiso 1 calc R .
C29 C 0.6260(6) -1.3550(7) 0.0374(3) 0.072(2) Uani 1 d . .
H29A H 0.5766(6) -1.4160(7) 0.0300(3) 0.087 Uiso 1 calc R .
C30 C 0.6238(4) -1.2303(5) 0.0706(2) 0.0463(12) Uani 1 d . .
H30A H 0.5723(4) -1.2095(5) 0.0856(2) 0.056 Uiso 1 calc R .
O26 O 0.8454(2) -1.0808(5) 0.0725(2) 0.0641(11) Uani 1 d . .
C31 C 0.9297(5) -1.1161(11) 0.0560(4) 0.105(3) Uani 1 d . .
H31A H 0.9727(5) -1.0421(11) 0.0683(4) 0.157 Uiso 1 calc R .
H31B H 0.9227(5) -1.1222(11) 0.0173(4) 0.157 Uiso 1 calc R .
H31C H 0.9502(5) -1.2078(11) 0.0713(4) 0.157 Uiso 1 calc R .
C40 C 0.8918(14) -0.2264(44) -0.1359(8) 0.230(19) Uani 0.50 d P .
H40A H 0.8492(14) -0.2715(44) -0.1645(8) 0.276 Uiso 0.50 calc PR .
Cl3 Cl 0.9480(5) -0.3892(7) -0.0731(2) 0.140(2) Uani 0.50 d P .
Cl4 Cl 0.9989(3) -0.2240(4) -0.1526(2) 0.0899(11) Uani 0.50 d P .
Cl5 Cl 0.8470(2) -0.1244(4) -0.1038(2) 0.0793(10) Uani 0.50 d P .
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'
O O 0.0106 0.0060 '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'
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
P2 Pt1 S1 92.53(4) . . ?
P2 Pt1 Cl2 89.20(4) . . ?
S1 Pt1 Cl2 175.45(4) . . ?
P2 Pt1 Cl1 178.73(5) . . ?
S1 Pt1 Cl1 88.46(5) . . ?
Cl2 Pt1 Cl1 89.76(5) . . ?
P1 S1 Pt1 97.43(6) . . ?
N1 P1 C1 109.2(2) . . ?
N1 P1 C7 110.2(2) . . ?
C1 P1 C7 107.7(2) . . ?
N1 P1 S1 108.52(14) . . ?
C1 P1 S1 110.8(2) . . ?
C7 P1 S1 110.4(2) . . ?
C25 N1 P1 125.2(3) . . ?
C25 N1 P2 118.3(3) . . ?
P1 N1 P2 116.2(2) . . ?
N1 P2 C13 104.8(2) . . ?
N1 P2 C19 105.0(2) . . ?
C13 P2 C19 107.5(2) . . ?
N1 P2 Pt1 108.70(13) . . ?
C13 P2 Pt1 115.41(15) . . ?
C19 P2 Pt1 114.5(2) . . ?
C6 C1 C2 118.2(5) . . ?
C6 C1 P1 121.2(4) . . ?
C2 C1 P1 120.6(4) . . ?
C3 C2 C1 120.0(5) . . ?
C4 C3 C2 120.0(6) . . ?
C3 C4 C5 120.2(6) . . ?
C6 C5 C4 120.2(6) . . ?
C5 C6 C1 121.5(6) . . ?
C8 C7 C12 119.0(5) . . ?
C8 C7 P1 122.7(4) . . ?
C12 C7 P1 118.1(4) . . ?
C7 C8 C9 121.1(6) . . ?
C10 C9 C8 120.9(7) . . ?
C9 C10 C11 119.0(6) . . ?
C10 C11 C12 120.9(7) . . ?
C7 C12 C11 119.0(7) . . ?
C18 C13 C14 118.4(4) . . ?
C18 C13 P2 122.5(3) . . ?
C14 C13 P2 118.9(4) . . ?
C15 C14 C13 120.4(5) . . ?
C14 C15 C16 120.2(5) . . ?
C15 C16 C17 119.9(5) . . ?
C18 C17 C16 120.3(5) . . ?
C17 C18 C13 120.8(5) . . ?
C24 C19 C20 119.0(5) . . ?
C24 C19 P2 117.7(4) . . ?
C20 C19 P2 123.3(4) . . ?
C19 C20 C21 119.3(5) . . ?
C22 C21 C20 121.1(6) . . ?
C23 C22 C21 119.6(5) . . ?
C22 C23 C24 120.6(6) . . ?
C19 C24 C23 120.4(5) . . ?
C26 C25 C30 119.8(5) . . ?
C26 C25 N1 119.4(5) . . ?
C30 C25 N1 120.4(4) . . ?
O26 C26 C25 116.5(5) . . ?
O26 C26 C27 125.1(6) . . ?
C25 C26 C27 118.4(6) . . ?
C28 C27 C26 120.1(6) . . ?
C27 C28 C29 123.3(6) . . ?
C28 C29 C30 117.8(6) . . ?
C25 C30 C29 120.7(6) . . ?
C26 O26 C31 119.1(5) . . ?
Cl5 C40 Cl4 130.3(15) . . ?
Cl5 C40 Cl3 101.7(11) . . ?
Cl4 C40 Cl3 84.6(15) . . ?
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 P2 2.2029(12) . ?
Pt1 S1 2.2948(12) . ?
Pt1 Cl2 2.3164(13) . ?
Pt1 Cl1 2.3515(12) . ?
S1 P1 2.010(2) . ?
P1 N1 1.688(4) . ?
P1 C1 1.798(5) . ?
P1 C7 1.803(5) . ?
N1 C25 1.441(6) . ?
N1 P2 1.735(4) . ?
P2 C13 1.805(5) . ?
P2 C19 1.811(5) . ?
C1 C6 1.371(7) . ?
C1 C2 1.406(7) . ?
C2 C3 1.383(8) . ?
C3 C4 1.380(9) . ?
C4 C5 1.359(10) . ?
C5 C6 1.374(9) . ?
C7 C8 1.366(7) . ?
C7 C12 1.388(8) . ?
C8 C9 1.367(9) . ?
C9 C10 1.358(10) . ?
C10 C11 1.372(11) . ?
C11 C12 1.392(9) . ?
C13 C18 1.380(7) . ?
C13 C14 1.410(6) . ?
C14 C15 1.373(7) . ?
C15 C16 1.371(8) . ?
C16 C17 1.389(8) . ?
C17 C18 1.369(7) . ?
C19 C24 1.382(7) . ?
C19 C20 1.389(7) . ?
C20 C21 1.385(7) . ?
C21 C22 1.367(9) . ?
C22 C23 1.359(9) . ?
C23 C24 1.380(8) . ?
C25 C26 1.395(8) . ?
C25 C30 1.394(7) . ?
C26 O26 1.341(7) . ?
C26 C27 1.422(8) . ?
C27 C28 1.356(10) . ?
C28 C29 1.355(10) . ?
C29 C30 1.421(8) . ?
O26 C31 1.431(7) . ?
C40 Cl5 1.46(3) . ?
C40 Cl4 1.73(2) . ?
C40 Cl3 2.25(4) . ?
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
P2 Pt1 S1 P1 32.43(6) . . . . ?
Cl2 Pt1 S1 P1 144.7(6) . . . . ?
Cl1 Pt1 S1 P1 -148.36(7) . . . . ?
Pt1 S1 P1 N1 -40.84(15) . . . . ?
Pt1 S1 P1 C1 79.1(2) . . . . ?
Pt1 S1 P1 C7 -161.7(2) . . . . ?
C1 P1 N1 C25 96.4(4) . . . . ?
C7 P1 N1 C25 -21.7(4) . . . . ?
S1 P1 N1 C25 -142.7(3) . . . . ?
C1 P1 N1 P2 -89.3(3) . . . . ?
C7 P1 N1 P2 152.6(2) . . . . ?
S1 P1 N1 P2 31.6(2) . . . . ?
C25 N1 P2 C13 -65.9(4) . . . . ?
P1 N1 P2 C13 119.4(2) . . . . ?
C25 N1 P2 C19 47.3(4) . . . . ?
P1 N1 P2 C19 -127.4(2) . . . . ?
C25 N1 P2 Pt1 170.2(3) . . . . ?
P1 N1 P2 Pt1 -4.5(2) . . . . ?
S1 Pt1 P2 N1 -19.73(13) . . . . ?
Cl2 Pt1 P2 N1 164.48(14) . . . . ?
Cl1 Pt1 P2 N1 -161.0(18) . . . . ?
S1 Pt1 P2 C13 -137.1(2) . . . . ?
Cl2 Pt1 P2 C13 47.1(2) . . . . ?
Cl1 Pt1 P2 C13 81.6(18) . . . . ?
S1 Pt1 P2 C19 97.3(2) . . . . ?
Cl2 Pt1 P2 C19 -78.5(2) . . . . ?
Cl1 Pt1 P2 C19 -44.0(19) . . . . ?
N1 P1 C1 C6 131.1(4) . . . . ?
C7 P1 C1 C6 -109.3(5) . . . . ?
S1 P1 C1 C6 11.6(5) . . . . ?
N1 P1 C1 C2 -48.6(5) . . . . ?
C7 P1 C1 C2 71.1(5) . . . . ?
S1 P1 C1 C2 -168.1(4) . . . . ?
C6 C1 C2 C3 -0.3(8) . . . . ?
P1 C1 C2 C3 179.4(4) . . . . ?
C1 C2 C3 C4 0.1(9) . . . . ?
C2 C3 C4 C5 1.0(11) . . . . ?
C3 C4 C5 C6 -1.8(12) . . . . ?
C4 C5 C6 C1 1.6(11) . . . . ?
C2 C1 C6 C5 -0.5(9) . . . . ?
P1 C1 C6 C5 179.8(5) . . . . ?
N1 P1 C7 C8 105.5(5) . . . . ?
C1 P1 C7 C8 -13.6(6) . . . . ?
S1 P1 C7 C8 -134.7(5) . . . . ?
N1 P1 C7 C12 -80.5(5) . . . . ?
C1 P1 C7 C12 160.5(5) . . . . ?
S1 P1 C7 C12 39.4(5) . . . . ?
C12 C7 C8 C9 3.5(10) . . . . ?
P1 C7 C8 C9 177.6(6) . . . . ?
C7 C8 C9 C10 0.1(12) . . . . ?
C8 C9 C10 C11 -2.2(12) . . . . ?
C9 C10 C11 C12 0.6(13) . . . . ?
C8 C7 C12 C11 -5.0(11) . . . . ?
P1 C7 C12 C11 -179.3(6) . . . . ?
C10 C11 C12 C7 3.0(12) . . . . ?
N1 P2 C13 C18 137.4(4) . . . . ?
C19 P2 C13 C18 26.0(5) . . . . ?
Pt1 P2 C13 C18 -103.1(4) . . . . ?
N1 P2 C13 C14 -47.4(4) . . . . ?
C19 P2 C13 C14 -158.8(4) . . . . ?
Pt1 P2 C13 C14 72.1(4) . . . . ?
C18 C13 C14 C15 -1.8(7) . . . . ?
P2 C13 C14 C15 -177.2(4) . . . . ?
C13 C14 C15 C16 1.2(8) . . . . ?
C14 C15 C16 C17 -0.3(8) . . . . ?
C15 C16 C17 C18 -0.1(10) . . . . ?
C16 C17 C18 C13 -0.6(9) . . . . ?
C14 C13 C18 C17 1.5(8) . . . . ?
P2 C13 C18 C17 176.7(5) . . . . ?
N1 P2 C19 C24 101.8(4) . . . . ?
C13 P2 C19 C24 -147.0(4) . . . . ?
Pt1 P2 C19 C24 -17.3(5) . . . . ?
N1 P2 C19 C20 -74.6(5) . . . . ?
C13 P2 C19 C20 36.6(5) . . . . ?
Pt1 P2 C19 C20 166.3(4) . . . . ?
C24 C19 C20 C21 -1.4(8) . . . . ?
P2 C19 C20 C21 174.9(4) . . . . ?
C19 C20 C21 C22 0.7(9) . . . . ?
C20 C21 C22 C23 0.3(10) . . . . ?
C21 C22 C23 C24 -0.5(11) . . . . ?
C20 C19 C24 C23 1.3(8) . . . . ?
P2 C19 C24 C23 -175.3(5) . . . . ?
C22 C23 C24 C19 -0.3(10) . . . . ?
P1 N1 C25 C26 85.0(5) . . . . ?
P2 N1 C25 C26 -89.2(5) . . . . ?
P1 N1 C25 C30 -102.8(5) . . . . ?
P2 N1 C25 C30 83.0(5) . . . . ?
C30 C25 C26 O26 -177.6(5) . . . . ?
N1 C25 C26 O26 -5.3(7) . . . . ?
C30 C25 C26 C27 1.3(8) . . . . ?
N1 C25 C26 C27 173.5(5) . . . . ?
O26 C26 C27 C28 177.2(6) . . . . ?
C25 C26 C27 C28 -1.6(9) . . . . ?
C26 C27 C28 C29 1.4(11) . . . . ?
C27 C28 C29 C30 -0.9(11) . . . . ?
C26 C25 C30 C29 -0.9(8) . . . . ?
N1 C25 C30 C29 -173.0(5) . . . . ?
C28 C29 C30 C25 0.6(9) . . . . ?
C25 C26 O26 C31 173.6(6) . . . . ?
C27 C26 O26 C31 -5.2(9) . . . . ?
