#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/89/7008948.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_7008948
loop_
_publ_author_name
'Birdsall, David J.'
'Novosad, Josef'
'Slawin, Alexandra M. Z.'
'Woollins, J. Derek'
_publ_section_title
;
 Synthesis and crystal structures of tellurium complexes containing
 imidophosphinate ligands
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              435
_journal_paper_doi               10.1039/a907336a
_journal_year                    2000
_chemical_compound_source        -
_chemical_formula_analytical     'C49.50 H89.50 Cl4.50 N2 P4 S4 Te'
_chemical_formula_moiety         'C48 H88 N2 P4 S4 Te.[C H Cl3]1.5'
_chemical_formula_structural     'C49.50 H89.50 Cl4.50 N2 P4 S4 Te'
_chemical_formula_sum            'C49.5 H89.5 Cl4.5 N2 P4 S4 Te'
_chemical_formula_weight         1251.98
_chemical_melting_point          ?
_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
_cell_angle_alpha                114.9400(10)
_cell_angle_beta                 108.6960(10)
_cell_angle_gamma                89.7000(10)
_cell_formula_units_Z            1
_cell_length_a                   10.4307(3)
_cell_length_b                   12.75430(10)
_cell_length_c                   14.4033(3)
_cell_measurement_reflns_used    86
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      337
_cell_measurement_theta_min      23
_cell_volume                     1626.86(6)
_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  0.0698
_diffrn_reflns_av_sigmaI/netI    0.0748
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8290
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    0.900
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.578974
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    -
_exptl_crystal_description       plate
_exptl_crystal_F_000             653
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       0.0000(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.047
_refine_ls_goodness_of_fit_obs   1.052
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         4541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.299
_refine_ls_restrained_S_obs      1.052
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_obs          0.0545
_refine_ls_shift/esd_max         5.045
_refine_ls_shift/esd_mean        0.124
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0824P)²+0.8612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1840
_refine_ls_wR_factor_obs         0.1305
_reflns_number_observed          3454
_reflns_number_total             4623
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a907336a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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^)+(0.0824P)^2^+0.8612P] 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^)+(0.0824P)^2^+0.8612P] 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      P-1
_cod_original_formula_sum        'C49.50 H89.50 Cl4.50 N2 P4 S4 Te'
_cod_database_code               7008948
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Te1 Te 0.5000 0.5000 0.5000 0.03623(13) Uani 1 d S .
S1 S 0.55140(13) 0.64159(10) 0.71349(10) 0.0424(3) Uani 1 d . .
P1 P 0.67993(12) 0.55421(10) 0.78559(9) 0.0326(3) Uani 1 d . .
N1 N 0.7902(4) 0.4956(3) 0.7338(3) 0.0377(9) Uani 1 d . .
P2 P 0.85905(12) 0.48252(10) 0.64613(9) 0.0346(3) Uani 1 d . .
S2 S 0.76598(13) 0.53656(12) 0.52910(10) 0.0516(3) Uani 1 d . .
C1 C 0.7699(5) 0.6670(4) 0.9260(4) 0.0391(12) Uani 1 d . .
H1A H 0.8235(5) 0.7238(4) 0.9184(4) 0.047 Uiso 1 calc R .
C2 C 0.8758(6) 0.6232(5) 0.9988(4) 0.0515(14) Uani 1 d . .
H2A H 0.9341(6) 0.5795(5) 0.9602(4) 0.062 Uiso 1 calc R .
H2B H 0.8289(6) 0.5714(5) 1.0152(4) 0.062 Uiso 1 calc R .
C3 C 0.9642(6) 0.7278(6) 1.1062(4) 0.067(2) Uani 1 d . .
H3A H 1.0274(6) 0.6989(6) 1.1527(4) 0.081 Uiso 1 calc R .
H3B H 1.0175(6) 0.7752(6) 1.0898(4) 0.081 Uiso 1 calc R .
C4 C 0.8792(7) 0.8010(6) 1.1655(5) 0.072(2) Uani 1 d . .
H4A H 0.9378(7) 0.8694(6) 1.2287(5) 0.086 Uiso 1 calc R .
H4B H 0.8371(7) 0.7569(6) 1.1918(5) 0.086 Uiso 1 calc R .
C5 C 0.7674(7) 0.8409(5) 1.0948(5) 0.075(2) Uani 1 d . .
H5A H 0.8092(7) 0.8955(5) 1.0783(5) 0.090 Uiso 1 calc R .
H5B H 0.7095(7) 0.8816(5) 1.1353(5) 0.090 Uiso 1 calc R .
C6 C 0.6792(6) 0.7381(5) 0.9879(4) 0.059(2) Uani 1 d . .
H6A H 0.6140(6) 0.7672(5) 0.9426(4) 0.070 Uiso 1 calc R .
H6B H 0.6282(6) 0.6882(5) 1.0036(4) 0.070 Uiso 1 calc R .
C7 C 0.5769(5) 0.4408(4) 0.7912(4) 0.0369(12) Uani 1 d . .
H7A H 0.5405(5) 0.4809(4) 0.8499(4) 0.044 Uiso 1 calc R .
C8 C 0.4534(5) 0.3759(4) 0.6844(4) 0.0480(14) Uani 1 d . .
H8A H 0.3968(5) 0.4320(4) 0.6705(4) 0.058 Uiso 1 calc R .
H8B H 0.4859(5) 0.3380(4) 0.6239(4) 0.058 Uiso 1 calc R .
C9 C 0.3668(6) 0.2837(5) 0.6910(5) 0.064(2) Uani 1 d . .
H9A H 0.3279(6) 0.3223(5) 0.7475(5) 0.077 Uiso 1 calc R .
H9B H 0.2919(6) 0.2427(5) 0.6219(5) 0.077 Uiso 1 calc R .
C10 C 0.4519(6) 0.1970(5) 0.7162(5) 0.064(2) Uani 1 d . .
H10A H 0.4844(6) 0.1534(5) 0.6567(5) 0.077 Uiso 1 calc R .
H10B H 0.3960(6) 0.1419(5) 0.7230(5) 0.077 Uiso 1 calc R .
C11 C 0.5748(7) 0.2601(5) 0.8231(5) 0.067(2) Uani 1 d . .
H11A H 0.5420(7) 0.2968(5) 0.8836(5) 0.080 Uiso 1 calc R .
H11B H 0.6311(7) 0.2034(5) 0.8359(5) 0.080 Uiso 1 calc R .
C12 C 0.6617(6) 0.3533(4) 0.8189(4) 0.0532(15) Uani 1 d . .
H12A H 0.7344(6) 0.3948(4) 0.8892(4) 0.064 Uiso 1 calc R .
H12B H 0.7037(6) 0.3154(4) 0.7644(4) 0.064 Uiso 1 calc R .
C13 C 0.8780(5) 0.3285(4) 0.5836(4) 0.0465(13) Uani 1 d . .
H13A H 0.9293(5) 0.3106(4) 0.6439(4) 0.056 Uiso 1 calc R .
C14 C 0.9603(6) 0.2961(5) 0.5064(5) 0.068(2) Uani 1 d . .
H14A H 0.9134(6) 0.3125(5) 0.4451(5) 0.081 Uiso 1 calc R .
H14B H 1.0497(6) 0.3443(5) 0.5452(5) 0.081 Uiso 1 calc R .
C15 C 0.9783(7) 0.1675(6) 0.4638(6) 0.086(2) Uani 1 d . .
H15A H 1.0356(7) 0.1531(6) 0.5238(6) 0.103 Uiso 1 calc R .
H15B H 1.0239(7) 0.1490(6) 0.4109(6) 0.103 Uiso 1 calc R .
C16 C 0.8387(8) 0.0881(6) 0.4095(6) 0.090(2) Uani 1 d . .
H16A H 0.7854(8) 0.0960(6) 0.3445(6) 0.108 Uiso 1 calc R .
H16B H 0.8530(8) 0.0071(6) 0.3874(6) 0.108 Uiso 1 calc R .
C17 C 0.7615(7) 0.1196(5) 0.4863(6) 0.083(2) Uani 1 d . .
H17A H 0.8120(7) 0.1065(5) 0.5489(6) 0.100 Uiso 1 calc R .
H17B H 0.6736(7) 0.0695(5) 0.4499(6) 0.100 Uiso 1 calc R .
C18 C 0.7392(6) 0.2470(5) 0.5252(5) 0.068(2) Uani 1 d . .
H18A H 0.6892(6) 0.2651(5) 0.5752(5) 0.081 Uiso 1 calc R .
H18B H 0.6850(6) 0.2596(5) 0.4632(5) 0.081 Uiso 1 calc R .
C19 C 1.0331(5) 0.5657(4) 0.7141(4) 0.0395(12) Uani 1 d . .
H19A H 1.0743(5) 0.5487(4) 0.6579(4) 0.047 Uiso 1 calc R .
C20 C 1.1254(5) 0.5314(5) 0.8000(4) 0.0509(14) Uani 1 d . .
H20A H 1.0831(5) 0.5415(5) 0.8536(4) 0.061 Uiso 1 calc R .
H20B H 1.1340(5) 0.4493(5) 0.7649(4) 0.061 Uiso 1 calc R .
C21 C 1.2663(6) 0.6033(5) 0.8576(5) 0.064(2) Uani 1 d . .
H21A H 1.3132(6) 0.5855(5) 0.8057(5) 0.077 Uiso 1 calc R .
H21B H 1.3187(6) 0.5820(5) 0.9144(5) 0.077 Uiso 1 calc R .
C22 C 1.2603(6) 0.7339(5) 0.9085(5) 0.071(2) Uani 1 d . .
H22A H 1.3521(6) 0.7770(5) 0.9407(5) 0.085 Uiso 1 calc R .
H22B H 1.2228(6) 0.7534(5) 0.9663(5) 0.085 Uiso 1 calc R .
C23 C 1.1717(7) 0.7698(5) 0.8229(5) 0.070(2) Uani 1 d . .
H23A H 1.2144(7) 0.7578(5) 0.7692(5) 0.085 Uiso 1 calc R .
H23B H 1.1651(7) 0.8523(5) 0.8578(5) 0.085 Uiso 1 calc R .
C24 C 1.0281(6) 0.6985(4) 0.7657(5) 0.0534(15) Uani 1 d . .
H24A H 0.9756(6) 0.7200(4) 0.7090(5) 0.064 Uiso 1 calc R .
H24B H 0.9820(6) 0.7170(4) 0.8182(5) 0.064 Uiso 1 calc R .
C30 C 0.2895(10) 0.0944(7) 0.2419(10) 0.108(4) Uani 0.75 d P .
H30A H 0.2977(10) 0.1795(7) 0.2692(10) 0.130 Uiso 0.75 calc PR .
Cl1 Cl 0.4288(4) 0.0441(2) 0.1968(3) 0.1358(11) Uani 0.75 d P .
Cl2 Cl 0.1411(5) 0.0312(3) 0.1362(5) 0.191(2) Uani 0.75 d P .
Cl3 Cl 0.3045(6) 0.0585(4) 0.3485(4) 0.210(2) Uani 0.75 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'
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'
Te Te -0.5308 1.6751 '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
S2 Te1 S2 180.0 . 2_666 ?
S2 Te1 S1 89.33(4) . 2_666 ?
S2 Te1 S1 90.67(4) 2_666 2_666 ?
S2 Te1 S1 90.67(4) . . ?
S2 Te1 S1 89.33(4) 2_666 . ?
S1 Te1 S1 180.0 2_666 . ?
P1 S1 Te1 101.11(6) . . ?
N1 P1 C1 108.6(2) . . ?
N1 P1 C7 108.6(2) . . ?
C1 P1 C7 108.6(2) . . ?
N1 P1 S1 117.7(2) . . ?
C1 P1 S1 103.8(2) . . ?
C7 P1 S1 109.2(2) . . ?
P1 N1 P2 145.3(3) . . ?
N1 P2 C13 105.5(2) . . ?
N1 P2 C19 110.7(2) . . ?
C13 P2 C19 106.4(2) . . ?
N1 P2 S2 118.7(2) . . ?
C13 P2 S2 110.8(2) . . ?
C19 P2 S2 104.2(2) . . ?
P2 S2 Te1 102.98(6) . . ?
C6 C1 C2 109.7(4) . . ?
C6 C1 P1 116.2(3) . . ?
C2 C1 P1 114.4(3) . . ?
C1 C2 C3 110.1(5) . . ?
C4 C3 C2 111.8(5) . . ?
C3 C4 C5 112.9(5) . . ?
C4 C5 C6 112.0(5) . . ?
C5 C6 C1 110.2(5) . . ?
C12 C7 C8 110.1(4) . . ?
C12 C7 P1 112.8(3) . . ?
C8 C7 P1 111.9(3) . . ?
C9 C8 C7 111.5(4) . . ?
C10 C9 C8 111.1(5) . . ?
C9 C10 C11 110.5(4) . . ?
C12 C11 C10 111.5(5) . . ?
C7 C12 C11 112.1(5) . . ?
C14 C13 C18 109.7(4) . . ?
C14 C13 P2 115.6(4) . . ?
C18 C13 P2 112.3(4) . . ?
C15 C14 C13 111.9(5) . . ?
C14 C15 C16 110.9(6) . . ?
C17 C16 C15 110.9(5) . . ?
C16 C17 C18 111.4(6) . . ?
C17 C18 C13 110.3(5) . . ?
C20 C19 C24 110.3(4) . . ?
C20 C19 P2 113.0(4) . . ?
C24 C19 P2 110.5(3) . . ?
C21 C20 C19 112.3(5) . . ?
C20 C21 C22 112.0(5) . . ?
C21 C22 C23 110.8(5) . . ?
C22 C23 C24 111.0(5) . . ?
C23 C24 C19 111.6(5) . . ?
Cl2 C30 Cl3 112.9(6) . . ?
Cl2 C30 Cl1 109.3(7) . . ?
Cl3 C30 Cl1 106.3(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
Te1 S2 2.6820(13) . ?
Te1 S2 2.6821(13) 2_666 ?
Te1 S1 2.6971(12) 2_666 ?
Te1 S1 2.6971(12) . ?
S1 P1 2.046(2) . ?
P1 N1 1.584(4) . ?
P1 C1 1.839(4) . ?
P1 C7 1.850(5) . ?
N1 P2 1.594(4) . ?
P2 C13 1.825(5) . ?
P2 C19 1.840(5) . ?
P2 S2 2.045(2) . ?
C1 C6 1.538(7) . ?
C1 C2 1.541(7) . ?
C2 C3 1.542(7) . ?
C3 C4 1.480(9) . ?
C4 C5 1.525(9) . ?
C5 C6 1.529(8) . ?
C7 C12 1.525(7) . ?
C7 C8 1.541(6) . ?
C8 C9 1.539(7) . ?
C9 C10 1.505(8) . ?
C10 C11 1.537(8) . ?
C11 C12 1.531(8) . ?
C13 C14 1.537(8) . ?
C13 C18 1.544(7) . ?
C14 C15 1.525(9) . ?
C15 C16 1.541(10) . ?
C16 C17 1.492(10) . ?
C17 C18 1.523(9) . ?
C19 C20 1.529(7) . ?
C19 C24 1.545(7) . ?
C20 C21 1.509(8) . ?
C21 C22 1.522(9) . ?
C22 C23 1.524(9) . ?
C23 C24 1.530(8) . ?
C30 Cl2 1.682(11) . ?
C30 Cl3 1.741(13) . ?
C30 Cl1 1.785(12) . ?
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
S2 Te1 S1 P1 -62.05(6) . . . . ?
S2 Te1 S1 P1 117.96(6) 2_666 . . . ?
S1 Te1 S1 P1 127.0(248) 2_666 . . . ?
Te1 S1 P1 N1 39.4(2) . . . . ?
Te1 S1 P1 C1 159.4(2) . . . . ?
Te1 S1 P1 C7 -84.9(2) . . . . ?
C1 P1 N1 P2 -109.3(4) . . . . ?
C7 P1 N1 P2 132.8(4) . . . . ?
S1 P1 N1 P2 8.2(5) . . . . ?
P1 N1 P2 C13 -139.1(4) . . . . ?
P1 N1 P2 C19 106.2(4) . . . . ?
P1 N1 P2 S2 -14.2(5) . . . . ?
N1 P2 S2 Te1 -30.5(2) . . . . ?
C13 P2 S2 Te1 91.7(2) . . . . ?
C19 P2 S2 Te1 -154.2(2) . . . . ?
S2 Te1 S2 P2 143.0(30) 2_666 . . . ?
S1 Te1 S2 P2 -121.95(6) 2_666 . . . ?
S1 Te1 S2 P2 58.05(6) . . . . ?
N1 P1 C1 C6 177.1(4) . . . . ?
C7 P1 C1 C6 -65.0(5) . . . . ?
S1 P1 C1 C6 51.1(4) . . . . ?
N1 P1 C1 C2 -53.6(4) . . . . ?
C7 P1 C1 C2 64.3(4) . . . . ?
S1 P1 C1 C2 -179.5(3) . . . . ?
C6 C1 C2 C3 -58.3(6) . . . . ?
P1 C1 C2 C3 169.2(4) . . . . ?
C1 C2 C3 C4 56.3(7) . . . . ?
C2 C3 C4 C5 -53.5(8) . . . . ?
C3 C4 C5 C6 53.2(8) . . . . ?
C4 C5 C6 C1 -54.9(7) . . . . ?
C2 C1 C6 C5 57.9(6) . . . . ?
P1 C1 C6 C5 -170.5(4) . . . . ?
N1 P1 C7 C12 37.2(4) . . . . ?
C1 P1 C7 C12 -80.7(4) . . . . ?
S1 P1 C7 C12 166.7(3) . . . . ?
N1 P1 C7 C8 -87.6(4) . . . . ?
C1 P1 C7 C8 154.5(3) . . . . ?
S1 P1 C7 C8 41.9(4) . . . . ?
C12 C7 C8 C9 54.9(6) . . . . ?
P1 C7 C8 C9 -178.8(4) . . . . ?
C7 C8 C9 C10 -57.2(6) . . . . ?
C8 C9 C10 C11 56.8(7) . . . . ?
C9 C10 C11 C12 -55.9(7) . . . . ?
C8 C7 C12 C11 -54.1(6) . . . . ?
P1 C7 C12 C11 -180.0(4) . . . . ?
C10 C11 C12 C7 55.1(7) . . . . ?
N1 P2 C13 C14 -172.0(4) . . . . ?
C19 P2 C13 C14 -54.4(5) . . . . ?
S2 P2 C13 C14 58.3(4) . . . . ?
N1 P2 C13 C18 61.0(4) . . . . ?
C19 P2 C13 C18 178.6(4) . . . . ?
S2 P2 C13 C18 -68.7(4) . . . . ?
C18 C13 C14 C15 -55.3(7) . . . . ?
P2 C13 C14 C15 176.4(4) . . . . ?
C13 C14 C15 C16 54.4(8) . . . . ?
C14 C15 C16 C17 -55.3(9) . . . . ?
C15 C16 C17 C18 57.9(8) . . . . ?
C16 C17 C18 C13 -59.0(8) . . . . ?
C14 C13 C18 C17 56.6(7) . . . . ?
P2 C13 C18 C17 -173.3(5) . . . . ?
N1 P2 C19 C20 55.8(4) . . . . ?
C13 P2 C19 C20 -58.3(4) . . . . ?
S2 P2 C19 C20 -175.5(3) . . . . ?
N1 P2 C19 C24 -68.4(4) . . . . ?
C13 P2 C19 C24 177.5(4) . . . . ?
S2 P2 C19 C24 60.3(4) . . . . ?
C24 C19 C20 C21 -53.7(6) . . . . ?
P2 C19 C20 C21 -178.0(4) . . . . ?
C19 C20 C21 C22 55.1(7) . . . . ?
C20 C21 C22 C23 -55.6(7) . . . . ?
C21 C22 C23 C24 55.9(7) . . . . ?
C22 C23 C24 C19 -55.9(7) . . . . ?
C20 C19 C24 C23 54.2(6) . . . . ?
P2 C19 C24 C23 179.9(4) . . . . ?
