#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:12:42 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179527 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/24/4342432.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_4342432
loop_
_publ_author_name
'Nordheider, Andreas'
'Hupf, Emanuel'
'Chalmers, Brian A.'
'Knight, Fergus R.'
'Bühl, Michael'
'Mebs, Stefan'
'Chęcińska, Lilianna'
'Lork, Enno'
'Camacho, Paula Sanz'
'Ashbrook, Sharon E.'
'Athukorala Arachchige, Kasun S.'
'Cordes, David B.'
'Slawin, Alexandra M. Z.'
'Beckmann, Jens'
'Woollins, J. Derek'
_publ_section_title
;
 Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and
 Theoretical Investigation of the P···Te
 through-Space Interaction.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2435
_journal_paper_doi               10.1021/ic503056z
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C29 H31 Cl2 P Te'
_chemical_formula_sum            'C29 H31 Cl2 P Te'
_chemical_formula_weight         609.04
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.467(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.1171(13)
_cell_length_b                   13.8840(15)
_cell_length_c                   15.8702(18)
_cell_measurement_reflns_used    7970
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      1.96
_cell_volume                     2625.5(5)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18144
_diffrn_reflns_theta_full        25.39
_diffrn_reflns_theta_max         25.39
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.413
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1224.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         4.90
_refine_diff_density_min         -0.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     303
_refine_ls_number_reflns         4732
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0602P)²+53.0561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1971
_reflns_number_gt                4345
_reflns_number_total             4732
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic503056z_si_001.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 4342430--4342441.cif.'
_cod_database_code               4342432
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+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_site_symmetry_multiplicity
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags
Te1 Te 0.16263(5) 0.11973(4) 0.20874(3) 0.0178(2) Uani 1 4 0 d .
Cl1 Cl 0.5793(2) 0.5736(2) 0.19041(19) 0.0434(7) Uani 1 4 0 d .
Cl2 Cl 0.1099(2) 0.53025(18) 0.22382(18) 0.0348(6) Uani 1 4 0 d .
P9 P 0.2156(2) -0.03929(16) 0.34803(14) 0.0174(5) Uani 1 4 0 d .
C1 C 0.2124(7) 0.1966(6) 0.3272(5) 0.0154(17) Uani 1 4 0 d .
C2 C 0.2209(7) 0.2959(6) 0.3216(5) 0.0159(17) Uani 1 4 0 d .
C3 C 0.2448(7) 0.3578(6) 0.3938(5) 0.0167(17) Uani 1 4 0 d .
C4 C 0.2579(7) 0.3183(6) 0.4741(5) 0.0165(17) Uani 1 4 0 d .
C5 C 0.2495(7) 0.2170(6) 0.4811(5) 0.0157(17) Uani 1 4 0 d .
C6 C 0.2624(7) 0.1880(6) 0.5679(6) 0.0188(18) Uani 1 4 0 d .
C7 C 0.2578(8) 0.0921(6) 0.5866(6) 0.0189(18) Uani 1 4 0 d .
C8 C 0.2425(7) 0.0249(6) 0.5192(6) 0.0192(18) Uani 1 4 0 d .
C9 C 0.2294(7) 0.0516(6) 0.4334(6) 0.0181(18) Uani 1 4 0 d .
C10 C 0.2301(7) 0.1520(6) 0.4110(6) 0.0172(17) Uani 1 4 0 d .
C11 C 0.2821(8) 0.3612(6) 0.5627(5) 0.0188(18) Uani 1 4 0 d .
C12 C 0.2787(9) 0.2760(7) 0.6247(6) 0.024(2) Uani 1 4 0 d .
C13 C 0.1584(8) 0.2456(6) 0.1269(5) 0.0175(17) Uani 1 4 0 d .
C14 C 0.0561(8) 0.2792(6) 0.0887(6) 0.0209(19) Uani 1 4 0 d .
C15 C 0.0453(8) 0.3539(7) 0.0265(6) 0.024(2) Uani 1 4 0 d .
C16 C 0.1399(8) 0.3929(6) 0.0028(6) 0.0200(18) Uani 1 4 0 d .
C17 C 0.2484(7) 0.3588(6) 0.0408(5) 0.0168(17) Uani 1 4 0 d .
C18 C 0.3478(8) 0.3968(6) 0.0177(6) 0.0212(19) Uani 1 4 0 d .
C19 C 0.4506(8) 0.3645(7) 0.0539(6) 0.0228(19) Uani 1 4 0 d .
C20 C 0.4617(8) 0.2919(7) 0.1167(6) 0.025(2) Uani 1 4 0 d .
C21 C 0.3704(8) 0.2530(7) 0.1419(6) 0.0227(19) Uani 1 4 0 d .
C22 C 0.2587(7) 0.2840(6) 0.1049(5) 0.0167(17) Uani 1 4 0 d .
C23 C 0.3640(8) -0.0814(7) 0.3561(6) 0.0231(19) Uani 1 4 0 d .
C24 C 0.4386(8) 0.0069(7) 0.3453(7) 0.031(2) Uani 1 4 0 d .
C25 C 0.4123(9) -0.1377(8) 0.4355(7) 0.031(2) Uani 1 4 0 d .
C26 C 0.1432(8) -0.1418(6) 0.3890(5) 0.0187(18) Uani 1 4 0 d .
C27 C 0.0237(8) -0.1122(7) 0.3963(6) 0.0239(19) Uani 1 4 0 d .
C28 C 0.1424(8) -0.2275(6) 0.3275(6) 0.0236(19) Uani 1 4 0 d .
C31 C 0.5 0.5029(14) 0.25 0.085(9) Uani 1 4 0 d .
C32 C 0.0 0.4600(10) 0.25 0.034(3) Uani 1 4 0 d .
H2 H 0.21019 0.32418 0.2662 0.0191 Uiso 1 4 0 calc R
H3 H 0.25161 0.42528 0.38654 0.0200 Uiso 1 4 0 calc R
H7 H 0.2648 0.07114 0.64433 0.0227 Uiso 1 4 0 calc R
H8 H 0.24101 -0.04166 0.53275 0.0231 Uiso 1 4 0 calc R
H11A H 0.22485 0.40998 0.5696 0.0225 Uiso 1 4 0 calc R
H11B H 0.35695 0.39223 0.57354 0.0225 Uiso 1 4 0 calc R
H12A H 0.34971 0.27157 0.66668 0.0285 Uiso 1 4 0 calc R
H12B H 0.21566 0.28331 0.65613 0.0285 Uiso 1 4 0 calc R
H14 H -0.00959 0.25208 0.10383 0.0250 Uiso 1 4 0 calc R
H15 H -0.02696 0.37702 0.00123 0.0292 Uiso 1 4 0 calc R
H16 H 0.13263 0.44256 -0.039 0.0240 Uiso 1 4 0 calc R
H18 H 0.34165 0.44624 -0.02427 0.0255 Uiso 1 4 0 calc R
H19 H 0.51554 0.39082 0.03701 0.0274 Uiso 1 4 0 calc R
H20 H 0.5344 0.26965 0.14174 0.0302 Uiso 1 4 0 calc R
H21 H 0.38024 0.20448 0.18483 0.0273 Uiso 1 4 0 calc R
H23 H 0.36567 -0.12476 0.30603 0.0277 Uiso 1 4 0 calc R
H24A H 0.51326 -0.01515 0.33845 0.0366 Uiso 1 4 0 calc R
H24B H 0.44532 0.0481 0.39614 0.0366 Uiso 1 4 0 calc R
H24C H 0.40429 0.04362 0.29451 0.0366 Uiso 1 4 0 calc R
H25A H 0.40672 -0.09942 0.48647 0.0371 Uiso 1 4 0 calc R
H25B H 0.49129 -0.15247 0.43509 0.0371 Uiso 1 4 0 calc R
H25C H 0.37031 -0.19789 0.4367 0.0371 Uiso 1 4 0 calc R
H26 H 0.18507 -0.16039 0.44694 0.0225 Uiso 1 4 0 calc R
H27A H -0.01341 -0.16567 0.42027 0.0287 Uiso 1 4 0 calc R
H27B H -0.01838 -0.09586 0.33943 0.0287 Uiso 1 4 0 calc R
H27C H 0.02647 -0.05601 0.43408 0.0287 Uiso 1 4 0 calc R
H28A H 0.10792 -0.20777 0.26937 0.0283 Uiso 1 4 0 calc R
H28B H 0.09923 -0.28061 0.34604 0.0283 Uiso 1 4 0 calc R
H28C H 0.21964 -0.24875 0.32785 0.0283 Uiso 1 4 0 calc R
H31A H 0.55132 0.46096 0.28963 0.1018 Uiso 0.5 4 0 calc R
H31B H 0.44867 0.46096 0.21037 0.1018 Uiso 0.5 4 0 calc R
H32A H -0.03012 0.418 0.20077 0.0406 Uiso 0.5 4 0 calc R
H32B H 0.03012 0.418 0.29923 0.0406 Uiso 0.5 4 0 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Te Te -0.5308 1.6751
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Te1 C13 95.5(3) yes . .
C9 P9 C23 101.9(4) yes . .
C9 P9 C26 104.8(4) yes . .
C23 P9 C26 104.2(4) yes . .
Te1 C1 C2 116.7(6) yes . .
Te1 C1 C10 124.2(6) yes . .
C2 C1 C10 119.0(7) yes . .
C1 C2 C3 123.8(8) yes . .
C2 C3 C4 118.8(8) yes . .
C3 C4 C5 118.2(8) yes . .
C3 C4 C11 132.9(8) yes . .
C5 C4 C11 108.9(7) yes . .
C4 C5 C6 111.2(7) yes . .
C4 C5 C10 125.1(8) yes . .
C6 C5 C10 123.8(8) yes . .
C5 C6 C7 119.1(8) yes . .
C5 C6 C12 109.3(7) yes . .
C7 C6 C12 131.6(8) yes . .
C6 C7 C8 119.0(8) yes . .
C7 C8 C9 123.0(8) yes . .
P9 C9 C8 121.2(6) yes . .
P9 C9 C10 119.1(7) yes . .
C8 C9 C10 119.7(8) yes . .
C1 C10 C5 115.1(8) yes . .
C1 C10 C9 129.5(8) yes . .
C5 C10 C9 115.4(8) yes . .
C4 C11 C12 105.6(7) yes . .
C6 C12 C11 104.8(7) yes . .
Te1 C13 C14 117.6(7) yes . .
Te1 C13 C22 121.2(6) yes . .
C14 C13 C22 120.7(8) yes . .
C13 C14 C15 121.4(9) yes . .
C14 C15 C16 119.9(8) yes . .
C15 C16 C17 120.2(8) yes . .
C16 C17 C18 121.8(8) yes . .
C16 C17 C22 119.5(8) yes . .
C18 C17 C22 118.7(8) yes . .
C17 C18 C19 121.7(8) yes . .
C18 C19 C20 120.1(9) yes . .
C19 C20 C21 121.1(8) yes . .
C20 C21 C22 121.2(8) yes . .
C13 C22 C17 118.2(7) yes . .
C13 C22 C21 124.6(8) yes . .
C17 C22 C21 117.2(8) yes . .
P9 C23 C24 108.5(6) yes . .
P9 C23 C25 116.2(7) yes . .
C24 C23 C25 110.9(8) yes . .
P9 C26 C27 109.6(6) yes . .
P9 C26 C28 108.7(6) yes . .
C27 C26 C28 111.1(7) yes . .
Cl1 C31 Cl1 112.4(11) yes . 2_655
Cl2 C32 Cl2 112.7(8) yes . 2_555
C1 C2 H2 118.085 no . .
C3 C2 H2 118.083 no . .
C2 C3 H3 120.619 no . .
C4 C3 H3 120.605 no . .
C6 C7 H7 120.486 no . .
C8 C7 H7 120.490 no . .
C7 C8 H8 118.516 no . .
C9 C8 H8 118.526 no . .
C4 C11 H11A 110.625 no . .
C4 C11 H11B 110.626 no . .
C12 C11 H11A 110.624 no . .
C12 C11 H11B 110.620 no . .
H11A C11 H11B 108.760 no . .
C6 C12 H12A 110.800 no . .
C6 C12 H12B 110.793 no . .
C11 C12 H12A 110.803 no . .
C11 C12 H12B 110.793 no . .
H12A C12 H12B 108.864 no . .
C13 C14 H14 119.282 no . .
C15 C14 H14 119.284 no . .
C14 C15 H15 120.038 no . .
C16 C15 H15 120.043 no . .
C15 C16 H16 119.895 no . .
C17 C16 H16 119.887 no . .
C17 C18 H18 119.151 no . .
C19 C18 H18 119.148 no . .
C18 C19 H19 119.934 no . .
C20 C19 H19 119.933 no . .
C19 C20 H20 119.446 no . .
C21 C20 H20 119.456 no . .
C20 C21 H21 119.408 no . .
C22 C21 H21 119.414 no . .
P9 C23 H23 106.947 no . .
C24 C23 H23 106.946 no . .
C25 C23 H23 106.937 no . .
C23 C24 H24A 109.476 no . .
C23 C24 H24B 109.472 no . .
C23 C24 H24C 109.476 no . .
H24A C24 H24B 109.470 no . .
H24A C24 H24C 109.463 no . .
H24B C24 H24C 109.469 no . .
C23 C25 H25A 109.470 no . .
C23 C25 H25B 109.475 no . .
C23 C25 H25C 109.469 no . .
H25A C25 H25B 109.473 no . .
H25A C25 H25C 109.470 no . .
H25B C25 H25C 109.469 no . .
P9 C26 H26 109.142 no . .
C27 C26 H26 109.144 no . .
C28 C26 H26 109.145 no . .
C26 C27 H27A 109.475 no . .
C26 C27 H27B 109.477 no . .
C26 C27 H27C 109.470 no . .
H27A C27 H27B 109.472 no . .
H27A C27 H27C 109.465 no . .
H27B C27 H27C 109.469 no . .
C26 C28 H28A 109.474 no . .
C26 C28 H28B 109.468 no . .
C26 C28 H28C 109.461 no . .
H28A C28 H28B 109.472 no . .
H28A C28 H28C 109.481 no . .
H28B C28 H28C 109.471 no . .
Cl1 C31 H31A 109.110 no . .
Cl1 C31 H31A 109.112 no . 2_655
Cl1 C31 H31B 109.116 no . .
Cl1 C31 H31B 109.104 no . 2_655
Cl1 C31 H31A 109.112 no 2_655 .
Cl1 C31 H31A 109.110 no 2_655 2_655
Cl1 C31 H31B 109.104 no 2_655 .
Cl1 C31 H31B 109.116 no 2_655 2_655
H31A C31 H31A 107.907 no . 2_655
H31A C31 H31B 107.910 no . .
H31A C31 H31B 0.006 no . 2_655
H31A C31 H31B 0.006 no 2_655 .
H31A C31 H31B 107.910 no 2_655 2_655
H31B C31 H31B 107.912 no . 2_655
Cl2 C32 H32A 109.048 no . .
Cl2 C32 H32A 109.050 no . 2_555
Cl2 C32 H32B 109.050 no . .
Cl2 C32 H32B 109.048 no . 2_555
Cl2 C32 H32A 109.050 no 2_555 .
Cl2 C32 H32A 109.048 no 2_555 2_555
Cl2 C32 H32B 109.048 no 2_555 .
Cl2 C32 H32B 109.050 no 2_555 2_555
H32A C32 H32A 107.823 no . 2_555
H32A C32 H32B 107.823 no . .
H32A C32 H32B 0.000 no . 2_555
H32A C32 H32B 0.000 no 2_555 .
H32A C32 H32B 107.823 no 2_555 2_555
H32B C32 H32B 107.823 no . 2_555
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Te1 C1 2.151(8) yes .
Te1 C13 2.172(8) yes .
Cl1 C31 1.764(11) yes .
Cl2 C32 1.760(8) yes .
P9 C9 1.837(9) yes .
P9 C23 1.873(10) yes .
P9 C26 1.851(9) yes .
C1 C2 1.387(12) yes .
C1 C10 1.447(12) yes .
C2 C3 1.418(12) yes .
C3 C4 1.370(12) yes .
C4 C5 1.416(12) yes .
C4 C11 1.506(12) yes .
C5 C6 1.416(12) yes .
C5 C10 1.419(12) yes .
C6 C7 1.368(13) yes .
C6 C12 1.509(13) yes .
C7 C8 1.407(12) yes .
C8 C9 1.391(12) yes .
C9 C10 1.439(12) yes .
C11 C12 1.545(13) yes .
C13 C14 1.359(12) yes .
C13 C22 1.427(13) yes .
C14 C15 1.422(13) yes .
C15 C16 1.380(14) yes .
C16 C17 1.424(12) yes .
C17 C18 1.422(13) yes .
C17 C22 1.443(12) yes .
C18 C19 1.351(13) yes .
C19 C20 1.406(13) yes .
C20 C21 1.355(14) yes .
C21 C22 1.440(12) yes .
C23 C24 1.551(14) yes .
C23 C25 1.509(14) yes .
C26 C27 1.530(14) yes .
C26 C28 1.538(13) yes .
C2 H2 0.950 no .
C3 H3 0.950 no .
C7 H7 0.950 no .
C8 H8 0.950 no .
C11 H11A 0.990 no .
C11 H11B 0.990 no .
C12 H12A 0.990 no .
C12 H12B 0.990 no .
C14 H14 0.950 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
C18 H18 0.950 no .
C19 H19 0.950 no .
C20 H20 0.950 no .
C21 H21 0.950 no .
C23 H23 1.000 no .
C24 H24A 0.980 no .
C24 H24B 0.980 no .
C24 H24C 0.980 no .
C25 H25A 0.980 no .
C25 H25B 0.980 no .
C25 H25C 0.980 no .
C26 H26 1.000 no .
C27 H27A 0.980 no .
C27 H27B 0.980 no .
C27 H27C 0.980 no .
C28 H28A 0.980 no .
C28 H28B 0.980 no .
C28 H28C 0.980 no .
C31 H31A 0.990 no .
C31 H31A 0.990 no 2_655
C31 H31B 0.990 no .
C31 H31B 0.990 no 2_655
C32 H32A 0.990 no .
C32 H32A 0.990 no 2_555
C32 H32B 0.990 no .
C32 H32B 0.990 no 2_555
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Te1 P9 3.108(2) no .
Te1 C21 3.443(10) no .
P9 C1 3.291(9) no .
C1 C4 2.851(12) no .
C2 C5 2.722(12) no .
C2 C13 3.124(11) no .
C2 C22 3.555(12) no .
C3 C10 2.879(12) no .
C5 C8 2.739(12) no .
C6 C9 2.828(12) no .
C7 C10 2.870(12) no .
C8 C23 3.525(14) no .
C8 C25 3.477(14) no .
C8 C26 3.189(12) no .
C8 C27 3.545(12) no .
C9 C24 3.171(15) no .
C9 C25 3.434(14) no .
C9 C27 3.345(13) no .
C10 C24 3.533(14) no .
C13 C16 2.819(12) no .
C14 C17 2.806(13) no .
C15 C22 2.829(12) no .
C17 C20 2.804(12) no .
C18 C21 2.784(13) no .
C19 C22 2.827(14) no .
C23 C28 3.329(13) no .
C25 C26 3.210(13) no .
Cl1 C18 3.594(10) no 3_665
C2 C32 3.542(12) no .
C7 C27 3.482(14) no 3_556
C11 C18 3.554(12) no 4_565
C18 Cl1 3.594(10) no 3_665
C18 C11 3.554(12) no 4_564
C20 C25 3.546(14) no 4_554
C20 C31 3.595(19) no .
C25 C20 3.546(14) no 4_555
C27 C7 3.482(14) no 3_556
C31 C20 3.595(19) no .
C31 C20 3.595(19) no 2_655
C32 C2 3.542(12) no .
C32 C2 3.542(12) no 2_555
Te1 H2 3.0050 no .
Te1 H14 3.0399 no .
Te1 H21 2.9740 no .
Te1 H24C 3.1774 no .
P9 H8 2.8917 no .
P9 H24B 3.0054 no .
P9 H24C 2.8250 no .
P9 H25A 3.0066 no .
P9 H25C 3.0636 no .
P9 H27B 2.9209 no .
P9 H27C 2.8821 no .
P9 H28A 2.8531 no .
P9 H28C 2.9271 no .
C1 H3 3.3214 no .
C1 H21 3.3054 no .
C1 H24B 3.5062 no .
C1 H24C 3.2599 no .
C2 H21 3.4018 no .
C3 H11A 2.9353 no .
C3 H11B 2.9676 no .
C4 H2 3.2455 no .
C4 H12A 3.1250 no .
C4 H12B 3.0627 no .
C5 H3 3.2604 no .
C5 H7 3.2667 no .
C5 H11A 3.0651 no .
C5 H11B 3.0124 no .
C5 H12A 3.0700 no .
C5 H12B 3.0244 no .
C6 H8 3.2397 no .
C6 H11A 3.1158 no .
C6 H11B 3.0531 no .
C7 H12A 2.9242 no .
C7 H12B 2.9549 no .
C8 H24B 3.4205 no .
C8 H25A 2.7541 no .
C8 H26 2.8507 no .
C8 H27C 2.9413 no .
C9 H7 3.3077 no .
C9 H24B 2.7858 no .
C9 H24C 3.3258 no .
C9 H25A 3.0106 no .
C9 H26 3.0061 no .
C9 H27C 2.8785 no .
C10 H2 3.2942 no .
C10 H8 3.2997 no .
C10 H24B 3.0264 no .
C10 H24C 3.3988 no .
C11 H3 2.8923 no .
C12 H7 2.8692 no .
C13 H2 2.4432 no .
C13 H15 3.2745 no .
C13 H21 2.7388 no .
C14 H2 3.1471 no .
C14 H16 3.2854 no .
C16 H14 3.2754 no .
C16 H18 2.6630 no .
C17 H15 3.2911 no .
C17 H19 3.2785 no .
C17 H21 3.3226 no .
C18 H16 2.6751 no .
C18 H20 3.2385 no .
C19 H21 3.2585 no .
C20 H18 3.2450 no .
C21 H2 3.1660 no .
C21 H19 3.2544 no .
C22 H2 2.7846 no .
C22 H14 3.2775 no .
C22 H16 3.3355 no .
C22 H18 3.3219 no .
C22 H20 3.2917 no .
C23 H8 3.4498 no .
C23 H26 3.0192 no .
C23 H28C 2.8936 no .
C24 H25A 2.7680 no .
C24 H25B 2.6466 no .
C24 H25C 3.3630 no .
C25 H8 3.1033 no .
C25 H24A 2.7299 no .
C25 H24B 2.7016 no .
C25 H24C 3.3586 no .
C25 H26 2.8097 no .
C25 H28C 3.0492 no .
C26 H8 2.7497 no .
C26 H23 3.2163 no .
C26 H25A 3.3376 no .
C26 H25C 2.8274 no .
C27 H8 3.2411 no .
C27 H28A 2.7586 no .
C27 H28B 2.6848 no .
C27 H28C 3.3689 no .
C28 H23 3.1309 no .
C28 H25C 3.0098 no .
C28 H27A 2.7353 no .
C28 H27B 2.7033 no .
C28 H27C 3.3719 no .
H2 H3 2.3498 no .
H2 H14 3.4987 no .
H2 H21 3.1052 no .
H3 H11A 2.9888 no .
H3 H11B 3.0448 no .
H7 H8 2.3422 no .
H7 H12A 2.9657 no .
H7 H12B 3.0179 no .
H8 H25A 2.3979 no .
H8 H25C 3.2173 no .
H8 H26 2.1670 no .
H8 H27C 2.7876 no .
H11A H12A 2.7402 no .
H11A H12B 2.2465 no .
H11B H12A 2.2464 no .
H11B H12B 2.7841 no .
H14 H15 2.3622 no .
H15 H16 2.3289 no .
H16 H18 2.5014 no .
H18 H19 2.2876 no .
H19 H20 2.3467 no .
H20 H21 2.2891 no .
H21 H24C 2.8140 no .
H23 H24A 2.3334 no .
H23 H24B 2.8697 no .
H23 H24C 2.3977 no .
H23 H25A 2.8380 no .
H23 H25B 2.3510 no .
H23 H25C 2.3005 no .
H23 H26 3.4369 no .
H23 H28A 3.2804 no .
H23 H28C 2.5371 no .
H24A H25A 3.1074 no .
H24A H25B 2.4913 no .
H24A H25C 3.5847 no .
H24B H25A 2.5908 no .
H24B H25B 2.8848 no .
H24C H25B 3.5562 no .
H25A H26 2.7769 no .
H25C H26 2.3384 no .
H25C H28B 3.5301 no .
H25C H28C 2.3812 no .
H26 H27A 2.3662 no .
H26 H27B 2.8745 no .
H26 H27C 2.3859 no .
H26 H28A 2.8794 no .
H26 H28B 2.4139 no .
H26 H28C 2.3538 no .
H27A H28A 3.0850 no .
H27A H28B 2.5262 no .
H27B H28A 2.5711 no .
H27B H28B 2.9270 no .
H27C H28B 3.5918 no .
Te1 H7 3.1718 no 4_554
Te1 H8 3.2926 no 4_554
Te1 H27B 3.4805 no 2_555
Cl1 H3 3.2919 no 2_655
Cl1 H11B 3.0184 no 4_564
Cl1 H12A 3.1298 no 3_666
Cl1 H12A 3.4820 no 4_564
Cl1 H18 2.9769 no 3_665
Cl1 H19 3.5044 no .
Cl1 H28C 3.5153 no 2_665
Cl2 H2 3.1333 no .
Cl2 H3 3.1827 no .
Cl2 H11A 3.1396 no 4_564
Cl2 H12B 3.1617 no 4_564
Cl2 H28B 3.2812 no 1_565
P9 H7 3.4209 no 4_554
P9 H27B 3.5489 no 2_555
C1 H14 2.9673 no 2_555
C1 H20 3.1841 no 2_655
C2 H14 3.0707 no 2_555
C2 H20 2.9384 no 2_655
C2 H32A 2.8367 no 2_555
C2 H32B 2.8367 no .
C3 H14 3.2119 no 2_555
C3 H15 3.3785 no 2_555
C3 H16 3.3465 no 4_565
C3 H18 3.1497 no 4_565
C3 H19 2.9482 no 2_655
C3 H20 3.0854 no 2_655
C3 H32A 2.8809 no 2_555
C3 H32B 2.8809 no .
C4 H14 3.1737 no 2_555
C4 H15 3.0072 no 2_555
C4 H18 3.4219 no 4_565
C4 H19 2.9598 no 2_655
C4 H20 3.4429 no 2_655
C5 H14 3.0134 no 2_555
C5 H15 3.5442 no 2_555
C5 H25B 3.3045 no 3_656
C5 H27A 3.5733 no 3_556
C6 H25B 3.0340 no 3_656
C6 H27A 3.0724 no 3_556
C7 H23 3.5194 no 4_555
C7 H24A 3.0088 no 3_656
C7 H25B 3.2322 no 3_656
C7 H27A 3.1155 no 3_556
C7 H27B 3.3214 no 3_556
C7 H27C 3.4367 no 3_556
C8 H24A 3.3847 no 3_656
C8 H27C 3.4980 no 3_556
C10 H14 2.9829 no 2_555
C10 H20 3.5184 no 2_655
C11 H15 3.0819 no 2_555
C11 H16 3.4993 no 4_565
C11 H18 3.1514 no 4_565
C11 H19 3.1766 no 2_655
C12 H23 3.5634 no 4_555
C12 H25B 3.5457 no 3_656
C12 H27A 3.5146 no 3_556
C12 H28A 3.4891 no 4_555
C12 H28C 3.4476 no 4_555
C13 H8 3.4343 no 4_554
C13 H26 3.1614 no 4_554
C14 H26 3.3907 no 4_554
C14 H27A 3.0848 no 4_554
C14 H32A 2.9408 no .
C14 H32B 2.9408 no 2_555
C15 H11A 3.4398 no 2_555
C15 H16 3.5817 no 3_565
C15 H26 3.5295 no 4_554
C15 H27A 3.1212 no 4_554
C15 H28B 3.2158 no 4_554
C15 H32A 3.1934 no .
C15 H32B 3.1934 no 2_555
C16 H3 3.5382 no 4_564
C16 H11A 3.0462 no 4_564
C16 H15 3.4716 no 3_565
C16 H26 3.4176 no 4_554
C16 H28B 2.9010 no 4_554
C17 H11A 3.2621 no 4_564
C17 H25C 3.2850 no 4_554
C17 H26 3.1597 no 4_554
C17 H28B 3.4602 no 4_554
C17 H31A 3.5730 no 2_655
C17 H31B 3.5730 no .
C18 H3 3.3033 no 4_564
C18 H11A 3.2460 no 4_564
C18 H11B 3.0560 no 4_564
C18 H19 3.5657 no 3_665
C18 H25C 3.0797 no 4_554
C18 H31A 3.2057 no 2_655
C18 H31B 3.2057 no .
C19 H11B 3.3757 no 2_655
C19 H11B 3.5950 no 4_564
C19 H25B 3.5780 no 4_554
C19 H25C 3.0165 no 4_554
C19 H31A 2.8247 no 2_655
C19 H31B 2.8247 no .
C20 H21 3.5879 no 2_655
C20 H24B 3.5844 no 2_655
C20 H25A 3.3692 no 4_554
C20 H25B 3.5430 no 4_554
C20 H25C 3.1521 no 4_554
C20 H31A 2.7989 no 2_655
C20 H31B 2.7989 no .
C21 H20 3.4252 no 2_655
C21 H25A 3.3502 no 4_554
C21 H25C 3.3456 no 4_554
C21 H31A 3.1687 no 2_655
C21 H31B 3.1687 no .
C22 H8 3.5485 no 4_554
C22 H25C 3.4204 no 4_554
C22 H26 3.0356 no 4_554
C22 H31A 3.5689 no 2_655
C22 H31B 3.5688 no .
C23 H7 3.3605 no 4_554
C24 H21 3.5991 no 2_655
C24 H24A 3.0915 no 2_655
C24 H24C 3.2161 no 2_655
C24 H25A 3.2361 no 3_656
C25 H24B 3.1599 no 3_656
C27 H7 3.4850 no 3_556
C27 H28A 3.1143 no 2_555
C28 H12B 3.1079 no 4_554
C28 H27B 3.3422 no 2_555
C28 H28A 3.1537 no 2_555
C31 H11B 3.3471 no 3_666
C31 H11B 3.3471 no 4_564
C32 H2 3.1418 no .
C32 H2 3.1418 no 2_555
C32 H3 3.4384 no .
C32 H3 3.4384 no 2_555
H2 Cl2 3.1333 no .
H2 C32 3.1418 no .
H2 H20 3.2623 no 2_655
H2 H32A 3.1867 no .
H2 H32A 2.6736 no 2_555
H2 H32B 2.6736 no .
H2 H32B 3.1867 no 2_555
H3 Cl1 3.2919 no 2_655
H3 Cl2 3.1827 no .
H3 C16 3.5382 no 4_565
H3 C18 3.3033 no 4_565
H3 C32 3.4384 no .
H3 H15 3.5767 no 2_555
H3 H16 2.7314 no 4_565
H3 H18 2.4114 no 4_565
H3 H19 2.9014 no 2_655
H3 H20 3.4665 no 2_655
H3 H32A 2.7896 no 2_555
H3 H32B 2.7896 no .
H7 Te1 3.1718 no 4_555
H7 P9 3.4209 no 4_555
H7 C23 3.3605 no 4_555
H7 C27 3.4850 no 3_556
H7 H23 2.7375 no 4_555
H7 H24A 2.7648 no 3_656
H7 H24C 3.1004 no 4_555
H7 H25B 3.5989 no 3_656
H7 H27A 3.3042 no 3_556
H7 H27B 3.0626 no 3_556
H7 H27C 3.5289 no 3_556
H7 H28A 3.5384 no 4_555
H8 Te1 3.2926 no 4_555
H8 C13 3.4343 no 4_555
H8 C22 3.5485 no 4_555
H8 H21 3.5074 no 4_555
H8 H24A 3.3845 no 3_656
H11A Cl2 3.1396 no 4_565
H11A C15 3.4398 no 2_555
H11A C16 3.0462 no 4_565
H11A C17 3.2621 no 4_565
H11A C18 3.2460 no 4_565
H11A H15 2.4987 no 2_555
H11A H16 2.7769 no 4_565
H11A H18 2.9956 no 4_565
H11B Cl1 3.0184 no 4_565
H11B C18 3.0560 no 4_565
H11B C19 3.3757 no 2_655
H11B C19 3.5950 no 4_565
H11B C31 3.3471 no 3_666
H11B H18 2.7146 no 4_565
H11B H19 2.5398 no 2_655
H11B H31A 3.0379 no 3_666
H11B H31B 3.0378 no 4_565
H12A Cl1 3.1298 no 3_666
H12A Cl1 3.4820 no 4_565
H12A H23 2.9879 no 4_555
H12A H25B 3.1915 no 3_656
H12A H28C 3.2544 no 4_555
H12B Cl2 3.1617 no 4_565
H12B C28 3.1079 no 4_555
H12B H15 3.3291 no 2_555
H12B H23 3.4983 no 4_555
H12B H27A 3.0107 no 3_556
H12B H27B 3.5431 no 3_556
H12B H28A 2.6242 no 4_555
H12B H28B 3.5525 no 4_555
H12B H28C 2.7589 no 4_555
H14 C1 2.9673 no 2_555
H14 C2 3.0707 no 2_555
H14 C3 3.2119 no 2_555
H14 C4 3.1737 no 2_555
H14 C5 3.0134 no 2_555
H14 C10 2.9829 no 2_555
H14 H27A 3.1431 no 4_554
H14 H32A 2.8062 no .
H14 H32B 2.8062 no 2_555
H15 C3 3.3785 no 2_555
H15 C4 3.0072 no 2_555
H15 C5 3.5442 no 2_555
H15 C11 3.0819 no 2_555
H15 C16 3.4716 no 3_565
H15 H3 3.5767 no 2_555
H15 H11A 2.4987 no 2_555
H15 H12B 3.3291 no 2_555
H15 H15 3.4784 no 3_565
H15 H16 2.9245 no 3_565
H15 H27A 3.2195 no 4_554
H15 H28B 3.4006 no 4_554
H15 H32A 3.2245 no .
H15 H32B 3.2245 no 2_555
H16 C3 3.3465 no 4_564
H16 C11 3.4993 no 4_564
H16 C15 3.5817 no 3_565
H16 H3 2.7314 no 4_564
H16 H11A 2.7769 no 4_564
H16 H15 2.9245 no 3_565
H16 H28B 2.8775 no 4_554
H16 H32A 3.2747 no 3_565
H16 H32B 3.2747 no 4_564
H18 Cl1 2.9769 no 3_665
H18 C3 3.1497 no 4_564
H18 C4 3.4219 no 4_564
H18 C11 3.1514 no 4_564
H18 H3 2.4114 no 4_564
H18 H11A 2.9956 no 4_564
H18 H11B 2.7146 no 4_564
H18 H19 2.8775 no 3_665
H18 H25C 3.5315 no 4_554
H19 Cl1 3.5044 no .
H19 C3 2.9482 no 2_655
H19 C4 2.9598 no 2_655
H19 C11 3.1766 no 2_655
H19 C18 3.5657 no 3_665
H19 H3 2.9014 no 2_655
H19 H11B 2.5398 no 2_655
H19 H18 2.8775 no 3_665
H19 H19 3.2484 no 3_665
H19 H25C 3.4334 no 4_554
H19 H31A 3.1597 no 2_655
H19 H31B 3.1598 no .
H20 C1 3.1841 no 2_655
H20 C2 2.9384 no 2_655
H20 C3 3.0854 no 2_655
H20 C4 3.4429 no 2_655
H20 C10 3.5184 no 2_655
H20 C21 3.4252 no 2_655
H20 H2 3.2623 no 2_655
H20 H3 3.4665 no 2_655
H20 H21 2.9034 no 2_655
H20 H24B 3.1523 no 2_655
H20 H24C 3.3393 no 2_655
H20 H25A 3.5590 no 4_554
H20 H31A 3.5258 no .
H20 H31A 3.1195 no 2_655
H20 H31B 3.1196 no .
H20 H31B 3.5257 no 2_655
H21 C20 3.5879 no 2_655
H21 C24 3.5991 no 2_655
H21 H8 3.5074 no 4_554
H21 H20 2.9034 no 2_655
H21 H21 3.2436 no 2_655
H21 H24A 3.3576 no 2_655
H21 H24B 3.4380 no 2_655
H21 H24C 3.4060 no 2_655
H21 H25A 3.5366 no 4_554
H23 C7 3.5194 no 4_554
H23 C12 3.5634 no 4_554
H23 H7 2.7375 no 4_554
H23 H12A 2.9879 no 4_554
H23 H12B 3.4983 no 4_554
H23 H24A 3.3087 no 2_655
H24A C7 3.0088 no 3_656
H24A C8 3.3847 no 3_656
H24A C24 3.0915 no 2_655
H24A H7 2.7648 no 3_656
H24A H8 3.3845 no 3_656
H24A H21 3.3576 no 2_655
H24A H23 3.3087 no 2_655
H24A H24A 2.7672 no 2_655
H24A H24C 2.6234 no 2_655
H24A H25A 3.1956 no 3_656
H24B C20 3.5844 no 2_655
H24B C25 3.1599 no 3_656
H24B H20 3.1523 no 2_655
H24B H21 3.4380 no 2_655
H24B H24B 3.5805 no 3_656
H24B H25A 2.4452 no 3_656
H24B H25B 3.0193 no 3_656
H24C C24 3.2161 no 2_655
H24C H7 3.1004 no 4_554
H24C H20 3.3393 no 2_655
H24C H21 3.4060 no 2_655
H24C H24A 2.6234 no 2_655
H24C H24C 2.9268 no 2_655
H25A C20 3.3692 no 4_555
H25A C21 3.3502 no 4_555
H25A C24 3.2361 no 3_656
H25A H20 3.5590 no 4_555
H25A H21 3.5366 no 4_555
H25A H24A 3.1956 no 3_656
H25A H24B 2.4452 no 3_656
H25A H25A 3.5445 no 3_656
H25B C5 3.3045 no 3_656
H25B C6 3.0340 no 3_656
H25B C7 3.2322 no 3_656
H25B C12 3.5457 no 3_656
H25B C19 3.5780 no 4_555
H25B C20 3.5430 no 4_555
H25B H7 3.5989 no 3_656
H25B H12A 3.1915 no 3_656
H25B H24B 3.0193 no 3_656
H25C C17 3.2850 no 4_555
H25C C18 3.0797 no 4_555
H25C C19 3.0165 no 4_555
H25C C20 3.1521 no 4_555
H25C C21 3.3456 no 4_555
H25C C22 3.4204 no 4_555
H25C H18 3.5315 no 4_555
H25C H19 3.4334 no 4_555
H26 C13 3.1614 no 4_555
H26 C14 3.3907 no 4_555
H26 C15 3.5295 no 4_555
H26 C16 3.4176 no 4_555
H26 C17 3.1597 no 4_555
H26 C22 3.0356 no 4_555
H27A C5 3.5733 no 3_556
H27A C6 3.0724 no 3_556
H27A C7 3.1155 no 3_556
H27A C12 3.5146 no 3_556
H27A C14 3.0848 no 4_555
H27A C15 3.1212 no 4_555
H27A H7 3.3042 no 3_556
H27A H12B 3.0107 no 3_556
H27A H14 3.1431 no 4_555
H27A H15 3.2195 no 4_555
H27A H28A 3.0755 no 2_555
H27B Te1 3.4805 no 2_555
H27B P9 3.5489 no 2_555
H27B C7 3.3214 no 3_556
H27B C28 3.3422 no 2_555
H27B H7 3.0626 no 3_556
H27B H12B 3.5431 no 3_556
H27B H27B 2.9521 no 2_555
H27B H28A 2.4274 no 2_555
H27C C7 3.4367 no 3_556
H27C C8 3.4980 no 3_556
H27C H7 3.5289 no 3_556
H27C H27C 2.7742 no 3_556
H28A C12 3.4891 no 4_554
H28A C27 3.1143 no 2_555
H28A C28 3.1537 no 2_555
H28A H7 3.5384 no 4_554
H28A H12B 2.6242 no 4_554
H28A H27A 3.0755 no 2_555
H28A H27B 2.4274 no 2_555
H28A H28A 2.5756 no 2_555
H28A H28B 3.0012 no 2_555
H28B Cl2 3.2812 no 1_545
H28B C15 3.2158 no 4_555
H28B C16 2.9010 no 4_555
H28B C17 3.4602 no 4_555
H28B H12B 3.5525 no 4_554
H28B H15 3.4006 no 4_555
H28B H16 2.8775 no 4_555
H28B H28A 3.0012 no 2_555
H28B H28B 3.5230 no 2_555
H28C Cl1 3.5153 no 2_645
H28C C12 3.4476 no 4_554
H28C H12A 3.2544 no 4_554
H28C H12B 2.7589 no 4_554
H31A C17 3.5730 no 2_655
H31A C18 3.2057 no 2_655
H31A C19 2.8247 no 2_655
H31A C20 2.7989 no 2_655
H31A C21 3.1687 no 2_655
H31A C22 3.5689 no 2_655
H31A H11B 3.0379 no 3_666
H31A H19 3.1597 no 2_655
H31A H20 3.5258 no .
H31A H20 3.1195 no 2_655
H31B C17 3.5730 no .
H31B C18 3.2057 no .
H31B C19 2.8247 no .
H31B C20 2.7989 no .
H31B C21 3.1687 no .
H31B C22 3.5688 no .
H31B H11B 3.0378 no 4_564
H31B H19 3.1598 no .
H31B H20 3.1196 no .
H31B H20 3.5257 no 2_655
H32A C2 2.8367 no 2_555
H32A C3 2.8809 no 2_555
H32A C14 2.9408 no .
H32A C15 3.1934 no .
H32A H2 3.1867 no .
H32A H2 2.6736 no 2_555
H32A H3 2.7896 no 2_555
H32A H14 2.8062 no .
H32A H15 3.2245 no .
H32A H16 3.2747 no 3_565
H32B C2 2.8367 no .
H32B C3 2.8809 no .
H32B C14 2.9408 no 2_555
H32B C15 3.1934 no 2_555
H32B H2 2.6736 no .
H32B H2 3.1867 no 2_555
H32B H3 2.7896 no .
H32B H14 2.8062 no 2_555
H32B H15 3.2245 no 2_555
H32B H16 3.2747 no 4_565
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_publ_flag
C1 Te1 C13 C14 -107.4(6) no
C1 Te1 C13 C22 80.7(6) no
C13 Te1 C1 C2 3.5(6) no
C13 Te1 C1 C10 179.6(6) no
C9 P9 C23 C24 -57.1(6) no
C9 P9 C23 C25 68.6(6) no
C23 P9 C9 C8 -76.6(7) no
C23 P9 C9 C10 101.5(6) no
C9 P9 C26 C27 66.3(5) no
C9 P9 C26 C28 -172.1(4) no
C26 P9 C9 C8 31.8(7) no
C26 P9 C9 C10 -150.1(6) no
C23 P9 C26 C27 173.0(5) no
C23 P9 C26 C28 -65.4(5) no
C26 P9 C23 C24 -165.9(5) no
C26 P9 C23 C25 -40.2(6) no
Te1 C1 C2 C3 175.3(5) no
Te1 C1 C10 C5 -172.8(5) no
Te1 C1 C10 C9 6.2(12) no
C2 C1 C10 C5 3.1(11) no
C2 C1 C10 C9 -177.8(7) no
C10 C1 C2 C3 -0.9(13) no
C1 C2 C3 C4 -1.5(13) no
C2 C3 C4 C5 1.5(12) no
C2 C3 C4 C11 -179.4(7) no
C3 C4 C5 C6 -178.7(7) no
C3 C4 C5 C10 1.0(12) no
C3 C4 C11 C12 176.6(9) no
C5 C4 C11 C12 -4.3(9) no
C11 C4 C5 C6 2.1(9) no
C11 C4 C5 C10 -178.3(7) no
C4 C5 C6 C7 -179.4(7) no
C4 C5 C6 C12 1.1(9) no
C4 C5 C10 C1 -3.3(12) no
C4 C5 C10 C9 177.5(7) no
C6 C5 C10 C1 176.3(7) no
C6 C5 C10 C9 -2.9(12) no
C10 C5 C6 C7 1.0(13) no
C10 C5 C6 C12 -178.5(7) no
C5 C6 C7 C8 1.2(12) no
C5 C6 C12 C11 -3.7(9) no
C7 C6 C12 C11 176.9(9) no
C12 C6 C7 C8 -179.4(8) no
C6 C7 C8 C9 -1.4(13) no
C7 C8 C9 P9 177.4(7) no
C7 C8 C9 C10 -0.6(13) no
P9 C9 C10 C1 5.5(12) no
P9 C9 C10 C5 -175.5(5) no
C8 C9 C10 C1 -176.4(8) no
C8 C9 C10 C5 2.6(12) no
C4 C11 C12 C6 4.7(9) no
Te1 C13 C14 C15 -172.6(5) no
Te1 C13 C22 C17 171.3(5) no
Te1 C13 C22 C21 -8.3(11) no
C14 C13 C22 C17 -0.4(12) no
C14 C13 C22 C21 -180.0(7) no
C22 C13 C14 C15 -0.6(13) no
C13 C14 C15 C16 1.0(13) no
C14 C15 C16 C17 -0.4(13) no
C15 C16 C17 C18 179.6(7) no
C15 C16 C17 C22 -0.7(12) no
C16 C17 C18 C19 179.9(7) no
C16 C17 C22 C13 1.0(11) no
C16 C17 C22 C21 -179.3(7) no
C18 C17 C22 C13 -179.3(7) no
C18 C17 C22 C21 0.4(11) no
C22 C17 C18 C19 0.2(12) no
C17 C18 C19 C20 -0.5(13) no
C18 C19 C20 C21 0.0(14) no
C19 C20 C21 C22 0.6(14) no
C20 C21 C22 C13 178.8(8) no
C20 C21 C22 C17 -0.8(12) no
