#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:12:42 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179527 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/24/4342431.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_4342431
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         'C28 H29 O P Te'
_chemical_formula_sum            'C28 H29 O P Te'
_chemical_formula_weight         540.11
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-02-14
_audit_creation_method           'by CrystalStructure 4.1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.517(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   25.365(3)
_cell_length_b                   11.5214(13)
_cell_length_c                   17.6915(19)
_cell_measurement_reflns_used    11680
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.99
_cell_volume                     5160.4(10)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 rc13'
_computing_data_collection
'CrystalClear-SM Expert 2.0 rc13 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 rc13'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.353
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16293
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.231
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2176.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4528
_refine_ls_number_restraints     18
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0271P)²+11.2418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                3648
_reflns_number_total             4528
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic503056z_si_001.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4342430--4342441.cif.'
_cod_database_code               4342431
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
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-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 0.124923(9) 0.08878(2) 0.646982(14) 0.02548(10) Uani 1 8 0 d .
P9 P 0.17845(4) 0.28277(9) 0.74485(5) 0.0237(2) Uani 1 8 0 d .
O1 O 0.03650(13) -0.3691(3) 0.49213(19) 0.0559(9) Uani 1 8 0 d .
C1 C 0.20128(13) 0.1105(3) 0.6017(2) 0.0209(8) Uani 1 8 0 d .
C2 C 0.21157(15) 0.0424(3) 0.5412(2) 0.0282(9) Uani 1 8 0 d .
C3 C 0.25946(15) 0.0458(4) 0.5045(2) 0.0292(9) Uani 1 8 0 d .
C4 C 0.29813(15) 0.1209(3) 0.5305(2) 0.0252(9) Uani 1 8 0 d .
C5 C 0.28814(14) 0.1916(3) 0.5931(2) 0.0211(8) Uani 1 8 0 d .
C6 C 0.33173(14) 0.2649(3) 0.6117(2) 0.0263(9) Uani 1 8 0 d .
C7 C 0.32818(15) 0.3417(4) 0.6701(2) 0.0301(10) Uani 1 8 0 d .
C8 C 0.28151(15) 0.3442(4) 0.7089(2) 0.0292(10) Uani 1 8 0 d .
C9 C 0.23805(14) 0.2730(3) 0.6923(2) 0.0217(8) Uani 1 8 0 d .
C10 C 0.24057(13) 0.1922(3) 0.63103(19) 0.0195(8) Uani 1 8 0 d .
C11 C 0.35303(15) 0.1447(4) 0.5050(2) 0.0310(10) Uani 1 8 0 d .
C12 C 0.37478(14) 0.2421(4) 0.5581(2) 0.0326(10) Uani 1 8 0 d .
C13 C 0.10153(14) -0.0655(3) 0.5854(2) 0.0255(9) Uani 1 8 0 d .
C14 C 0.06564(14) -0.0590(3) 0.5233(2) 0.0279(9) Uani 1 8 0 d .
C15 C 0.04301(15) -0.1580(4) 0.4899(2) 0.0305(10) Uani 1 8 0 d .
C16 C 0.05670(15) -0.2654(4) 0.5191(2) 0.0357(10) Uani 1 8 0 d .
C17 C 0.09305(18) -0.2741(4) 0.5802(3) 0.0528(14) Uani 1 8 0 d .
C18 C 0.11455(16) -0.1744(4) 0.6136(3) 0.0404(12) Uani 1 8 0 d .
C19 C -0.0029(2) -0.3658(4) 0.4311(3) 0.0568(14) Uani 1 8 0 d .
C20 C 0.19770(15) 0.1962(4) 0.8311(2) 0.0306(10) Uani 1 8 0 d .
C21 C 0.14969(18) 0.1584(4) 0.8724(3) 0.0477(12) Uani 1 8 0 d .
C22 C 0.23940(18) 0.2516(4) 0.8855(2) 0.0451(12) Uani 1 8 0 d .
C23 C 0.17601(16) 0.4359(3) 0.7763(2) 0.0298(10) Uani 1 8 0 d .
C24 C 0.12987(17) 0.4515(4) 0.8266(3) 0.0449(12) Uani 1 8 0 d .
C25 C 0.16877(18) 0.5146(4) 0.7075(3) 0.0443(12) Uani 1 8 0 d .
C26 C 0.5 0.3462(9) 0.25 0.080(3) Uani 1 4 0 d .
C27 C 0.4868(4) 0.4691(13) 0.2172(6) 0.069(4) Uani 0.5 8 0 d .
C28 C 0.5 0.5684(12) 0.25 0.125(5) Uani 1 4 0 d .
C29 C 0.4937(5) 0.6827(12) 0.2254(7) 0.070(4) Uani 0.5 8 0 d .
C30 C 0.4803(4) 0.7815(12) 0.2280(7) 0.075(4) Uani 0.5 8 0 d .
C31 C 0.5 0.9003(11) 0.25 0.137(4) Uani 1 4 0 d .
H2 H 0.18501 -0.01033 0.5227 0.0338 Uiso 1 8 0 calc R
H3 H 0.2647 -0.00324 0.46246 0.0351 Uiso 1 8 0 calc R
H7 H 0.35667 0.39239 0.68405 0.0361 Uiso 1 8 0 calc R
H8 H 0.2795 0.39811 0.74923 0.0351 Uiso 1 8 0 calc R
H11A H 0.35151 0.17042 0.45155 0.0372 Uiso 1 8 0 calc R
H11B H 0.3754 0.07447 0.51036 0.0372 Uiso 1 8 0 calc R
H12A H 0.40772 0.21701 0.58631 0.0392 Uiso 1 8 0 calc R
H12B H 0.38223 0.31288 0.52882 0.0392 Uiso 1 8 0 calc R
H14 H 0.05621 0.01495 0.50292 0.0335 Uiso 1 8 0 calc R
H15 H 0.01838 -0.15155 0.44747 0.0366 Uiso 1 8 0 calc R
H17 H 0.10335 -0.34826 0.59931 0.0634 Uiso 1 8 0 calc R
H18 H 0.13867 -0.18115 0.65657 0.0485 Uiso 1 8 0 calc R
H19A H 0.01157 -0.32805 0.38724 0.0681 Uiso 1 8 0 calc R
H19B H -0.0335 -0.32186 0.44656 0.0681 Uiso 1 8 0 calc R
H19C H -0.01375 -0.44508 0.41759 0.0681 Uiso 1 8 0 calc R
H20 H 0.21394 0.12321 0.81264 0.0367 Uiso 1 8 0 calc R
H21A H 0.13406 0.22612 0.89602 0.0573 Uiso 1 8 0 calc R
H21B H 0.16049 0.1016 0.91161 0.0573 Uiso 1 8 0 calc R
H21C H 0.1236 0.12315 0.83627 0.0573 Uiso 1 8 0 calc R
H22A H 0.25081 0.19543 0.92476 0.0541 Uiso 1 8 0 calc R
H22B H 0.22438 0.31996 0.9092 0.0541 Uiso 1 8 0 calc R
H22C H 0.26981 0.27508 0.8575 0.0541 Uiso 1 8 0 calc R
H23 H 0.20974 0.45608 0.80562 0.0357 Uiso 1 8 0 calc R
H24A H 0.09684 0.43135 0.79796 0.0539 Uiso 1 8 0 calc R
H24B H 0.12837 0.53243 0.84332 0.0539 Uiso 1 8 0 calc R
H24C H 0.13471 0.4006 0.8709 0.0539 Uiso 1 8 0 calc R
H25A H 0.16734 0.59567 0.72403 0.0532 Uiso 1 8 0 calc R
H25B H 0.13579 0.49462 0.67867 0.0532 Uiso 1 8 0 calc R
H25C H 0.19854 0.50431 0.6753 0.0532 Uiso 1 8 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)
;
Te Te -0.5308 1.6751
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 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)
;
O O 0.0106 0.0060
;
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 97.71(14) yes . .
C9 P9 C20 101.54(17) yes . .
C9 P9 C23 104.83(18) yes . .
C20 P9 C23 105.99(18) yes . .
C16 O1 C19 117.9(3) yes . .
Te1 C1 C2 116.3(3) yes . .
Te1 C1 C10 124.0(3) yes . .
C2 C1 C10 119.7(3) yes . .
C1 C2 C3 123.7(3) yes . .
C2 C3 C4 118.9(4) yes . .
C3 C4 C5 118.0(4) yes . .
C3 C4 C11 132.0(4) yes . .
C5 C4 C11 110.0(3) yes . .
C4 C5 C6 110.6(3) yes . .
C4 C5 C10 125.1(3) yes . .
C6 C5 C10 124.3(3) yes . .
C5 C6 C7 118.4(3) yes . .
C5 C6 C12 109.6(3) yes . .
C7 C6 C12 132.0(3) yes . .
C6 C7 C8 118.6(4) yes . .
C7 C8 C9 124.5(4) yes . .
P9 C9 C8 121.8(3) yes . .
P9 C9 C10 120.1(3) yes . .
C8 C9 C10 118.1(3) yes . .
C1 C10 C5 114.6(3) yes . .
C1 C10 C9 129.3(3) yes . .
C5 C10 C9 116.1(3) yes . .
C4 C11 C12 104.6(3) yes . .
C6 C12 C11 105.2(3) yes . .
Te1 C13 C14 120.3(3) yes . .
Te1 C13 C18 121.0(3) yes . .
C14 C13 C18 117.8(4) yes . .
C13 C14 C15 121.7(4) yes . .
C14 C15 C16 119.3(4) yes . .
O1 C16 C15 124.8(4) yes . .
O1 C16 C17 115.2(4) yes . .
C15 C16 C17 120.0(4) yes . .
C16 C17 C18 120.0(4) yes . .
C13 C18 C17 121.2(4) yes . .
P9 C20 C21 111.7(3) yes . .
P9 C20 C22 115.4(3) yes . .
C21 C20 C22 111.2(3) yes . .
P9 C23 C24 109.2(3) yes . .
P9 C23 C25 109.4(3) yes . .
C24 C23 C25 109.8(3) yes . .
C27 C26 C27 49.4(7) yes . 2_655
C26 C27 C27 65.3(9) yes . 2_655
C26 C27 C28 125.6(8) yes . .
C27 C27 C28 60.3(9) yes 2_655 .
C27 C28 C27 59.3(9) yes . 2_655
C27 C28 C29 131.5(7) yes . .
C27 C28 C29 168.6(8) yes . 2_655
C27 C28 C29 168.6(8) yes 2_655 .
C27 C28 C29 131.5(7) yes 2_655 2_655
C29 C28 C29 38.1(8) yes . 2_655
C28 C29 C29 71.0(12) yes . 2_655
C28 C29 C30 156.8(13) yes . .
C28 C29 C30 119.8(10) yes . 2_655
C29 C29 C30 92.6(15) yes 2_655 .
C29 C29 C30 50.9(12) yes 2_655 2_655
C30 C29 C30 51.8(9) yes . 2_655
C29 C30 C29 36.4(8) yes . 2_655
C29 C30 C30 78.5(12) yes . 2_655
C29 C30 C31 142.3(11) yes . .
C29 C30 C30 49.6(10) yes 2_655 2_655
C29 C30 C31 114.4(9) yes 2_655 .
C30 C30 C31 65.9(9) yes 2_655 .
C30 C31 C30 48.3(7) yes . 2_655
C1 C2 H2 118.144 no . .
C3 C2 H2 118.137 no . .
C2 C3 H3 120.563 no . .
C4 C3 H3 120.546 no . .
C6 C7 H7 120.701 no . .
C8 C7 H7 120.688 no . .
C7 C8 H8 117.780 no . .
C9 C8 H8 117.762 no . .
C4 C11 H11A 110.838 no . .
C4 C11 H11B 110.822 no . .
C12 C11 H11A 110.834 no . .
C12 C11 H11B 110.826 no . .
H11A C11 H11B 108.890 no . .
C6 C12 H12A 110.709 no . .
C6 C12 H12B 110.697 no . .
C11 C12 H12A 110.700 no . .
C11 C12 H12B 110.692 no . .
H12A C12 H12B 108.798 no . .
C13 C14 H14 119.147 no . .
C15 C14 H14 119.117 no . .
C14 C15 H15 120.345 no . .
C16 C15 H15 120.347 no . .
C16 C17 H17 120.013 no . .
C18 C17 H17 120.009 no . .
C13 C18 H18 119.386 no . .
C17 C18 H18 119.377 no . .
O1 C19 H19A 109.471 no . .
O1 C19 H19B 109.471 no . .
O1 C19 H19C 109.469 no . .
H19A C19 H19B 109.473 no . .
H19A C19 H19C 109.481 no . .
H19B C19 H19C 109.463 no . .
P9 C20 H20 105.941 no . .
C21 C20 H20 105.928 no . .
C22 C20 H20 105.944 no . .
C20 C21 H21A 109.470 no . .
C20 C21 H21B 109.476 no . .
C20 C21 H21C 109.475 no . .
H21A C21 H21B 109.467 no . .
H21A C21 H21C 109.472 no . .
H21B C21 H21C 109.467 no . .
C20 C22 H22A 109.477 no . .
C20 C22 H22B 109.476 no . .
C20 C22 H22C 109.472 no . .
H22A C22 H22B 109.475 no . .
H22A C22 H22C 109.456 no . .
H22B C22 H22C 109.472 no . .
P9 C23 H23 109.502 no . .
C24 C23 H23 109.499 no . .
C25 C23 H23 109.502 no . .
C23 C24 H24A 109.468 no . .
C23 C24 H24B 109.481 no . .
C23 C24 H24C 109.475 no . .
H24A C24 H24B 109.468 no . .
H24A C24 H24C 109.470 no . .
H24B C24 H24C 109.465 no . .
C23 C25 H25A 109.470 no . .
C23 C25 H25B 109.476 no . .
C23 C25 H25C 109.466 no . .
H25A C25 H25B 109.487 no . .
H25A C25 H25C 109.462 no . .
H25B C25 H25C 109.467 no . .
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 2.155(3) yes .
Te1 C13 2.150(4) yes .
P9 C9 1.826(4) yes .
P9 C20 1.863(4) yes .
P9 C23 1.852(4) yes .
O1 C16 1.374(5) yes .
O1 C19 1.425(6) yes .
C1 C2 1.366(5) yes .
C1 C10 1.443(5) yes .
C2 C3 1.412(6) yes .
C3 C4 1.366(5) yes .
C4 C5 1.410(5) yes .
C4 C11 1.515(6) yes .
C5 C6 1.414(5) yes .
C5 C10 1.416(5) yes .
C6 C7 1.367(6) yes .
C6 C12 1.513(5) yes .
C7 C8 1.405(6) yes .
C8 C9 1.391(5) yes .
C9 C10 1.434(5) yes .
C11 C12 1.543(6) yes .
C13 C14 1.385(5) yes .
C13 C18 1.383(6) yes .
C14 C15 1.392(5) yes .
C15 C16 1.377(6) yes .
C16 C17 1.380(6) yes .
C17 C18 1.388(6) yes .
C20 C21 1.522(6) yes .
C20 C22 1.526(6) yes .
C23 C24 1.523(6) yes .
C23 C25 1.521(6) yes .
C26 C27 1.559(17) yes .
C26 C27 1.559(17) yes 2_655
C27 C27 1.303(15) yes 2_655
C27 C28 1.317(18) yes .
C28 C29 1.394(19) yes .
C28 C29 1.394(19) yes 2_655
C29 C29 0.909(17) yes 2_655
C29 C30 1.19(2) yes .
C29 C30 1.530(19) yes 2_655
C30 C30 1.227(16) yes 2_655
C30 C31 1.500(18) 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 .
C17 H17 0.950 no .
C18 H18 0.950 no .
C19 H19A 0.980 no .
C19 H19B 0.980 no .
C19 H19C 0.980 no .
C20 H20 1.000 no .
C21 H21A 0.980 no .
C21 H21B 0.980 no .
C21 H21C 0.980 no .
C22 H22A 0.980 no .
C22 H22B 0.980 no .
C22 H22C 0.980 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 .
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 3.0900(10) no .
P9 C1 3.296(4) no .
C1 C4 2.831(5) no .
C2 C5 2.711(5) no .
C2 C13 3.196(5) no .
C3 C6 3.592(5) no .
C3 C10 2.866(5) no .
C4 C7 3.594(5) no .
C5 C8 2.712(5) no .
C6 C9 2.847(5) no .
C7 C10 2.863(5) no .
C8 C20 3.559(6) no .
C8 C22 3.528(6) no .
C8 C23 3.177(6) no .
C8 C25 3.468(6) no .
C9 C22 3.424(5) no .
C9 C25 3.312(6) no .
C13 C16 2.795(6) no .
C14 C17 2.748(6) no .
C15 C18 2.761(6) no .
C15 C19 2.832(6) no .
C20 C24 3.406(6) no .
C21 C24 3.501(7) no .
C22 C23 3.232(6) no .
O1 O1 3.559(4) no 3_546
O1 C19 3.471(6) no 3_546
C15 C21 3.512(6) no 4_554
C19 O1 3.471(6) no 3_546
C21 C15 3.512(6) no 4_555
Te1 H2 2.9786 no .
Te1 H14 3.1164 no .
Te1 H18 3.1329 no .
Te1 H21C 3.3743 no .
P9 H8 2.8839 no .
P9 H21A 3.0357 no .
P9 H21C 2.8652 no .
P9 H22B 3.0951 no .
P9 H22C 2.9636 no .
P9 H24A 2.8874 no .
P9 H24C 2.8897 no .
P9 H25B 2.8886 no .
P9 H25C 2.8923 no .
O1 H15 2.6597 no .
O1 H17 2.4767 no .
C1 H3 3.2958 no .
C3 H11A 2.9424 no .
C3 H11B 2.9548 no .
C4 H2 3.2388 no .
C4 H12A 3.0970 no .
C4 H12B 3.0742 no .
C5 H3 3.2505 no .
C5 H7 3.2588 no .
C5 H11A 3.0676 no .
C5 H11B 3.0431 no .
C5 H12A 3.0570 no .
C5 H12B 3.0457 no .
C6 H8 3.2288 no .
C6 H11A 3.1048 no .
C6 H11B 3.0821 no .
C7 H12A 2.9489 no .
C7 H12B 2.9416 no .
C8 H22C 2.7800 no .
C8 H23 2.8787 no .
C8 H25C 2.8344 no .
C9 H7 3.3200 no .
C9 H20 2.8354 no .
C9 H22C 2.9830 no .
C9 H23 3.0266 no .
C9 H25C 2.8572 no .
C10 H2 3.2819 no .
C10 H8 3.2748 no .
C10 H20 3.4171 no .
C11 H3 2.8788 no .
C12 H7 2.8810 no .
C13 H2 2.5309 no .
C13 H15 3.2791 no .
C13 H17 3.2671 no .
C14 H2 3.0800 no .
C14 H18 3.2305 no .
C15 H17 3.2448 no .
C15 H19A 2.7561 no .
C15 H19B 2.7813 no .
C16 H14 3.2430 no .
C16 H18 3.2497 no .
C16 H19A 2.6354 no .
C16 H19B 2.6351 no .
C16 H19C 3.2107 no .
C17 H15 3.2473 no .
C18 H2 3.1151 no .
C18 H14 3.2288 no .
C19 H15 2.5389 no .
C20 H8 3.4908 no .
C20 H23 3.0464 no .
C20 H24C 2.9551 no .
C21 H22A 2.7068 no .
C21 H22B 2.7066 no .
C21 H22C 3.3554 no .
C21 H24C 2.8161 no .
C22 H8 3.1618 no .
C22 H21A 2.7058 no .
C22 H21B 2.7056 no .
C22 H21C 3.3561 no .
C22 H23 2.8253 no .
C22 H24C 3.1592 no .
C23 H8 2.7322 no .
C23 H21A 3.4255 no .
C23 H22B 2.9088 no .
C23 H22C 3.2767 no .
C24 H21A 2.8712 no .
C24 H22B 3.1221 no .
C24 H25A 2.6775 no .
C24 H25B 2.6773 no .
C24 H25C 3.3380 no .
C25 H8 3.1595 no .
C25 H24A 2.6779 no .
C25 H24B 2.6780 no .
C25 H24C 3.3376 no .
H2 H3 2.3436 no .
H2 H14 3.2772 no .
H2 H18 3.3475 no .
H3 H11A 2.9902 no .
H3 H11B 3.0186 no .
H7 H8 2.3329 no .
H7 H12A 3.0041 no .
H7 H12B 3.0033 no .
H8 H22B 3.3556 no .
H8 H22C 2.4076 no .
H8 H23 2.1883 no .
H8 H25C 2.6637 no .
H11A H12A 2.7546 no .
H11A H12B 2.2448 no .
H11B H12A 2.2449 no .
H11B H12B 2.7703 no .
H14 H15 2.3340 no .
H15 H19A 2.2974 no .
H15 H19B 2.3621 no .
H15 H19C 3.5111 no .
H17 H18 2.3290 no .
H20 H21A 2.8379 no .
H20 H21B 2.2928 no .
H20 H21C 2.3544 no .
H20 H22A 2.2965 no .
H20 H22B 2.8410 no .
H20 H22C 2.3583 no .
H21A H22A 2.9947 no .
H21A H22B 2.5311 no .
H21A H22C 3.5954 no .
H21A H24A 3.0481 no .
H21A H24C 2.0591 no .
H21B H22A 2.5310 no .
H21B H22B 2.9943 no .
H21B H22C 3.5953 no .
H21B H24C 3.5715 no .
H21C H22A 3.5967 no .
H21C H22B 3.5967 no .
H21C H24C 3.2637 no .
H22B H23 2.4232 no .
H22B H24B 3.5963 no .
H22B H24C 2.5113 no .
H22C H23 2.7095 no .
H23 H24A 2.8728 no .
H23 H24B 2.3764 no .
H23 H24C 2.3736 no .
H23 H25A 2.3741 no .
H23 H25B 2.8711 no .
H23 H25C 2.3716 no .
H24A H25A 2.9630 no .
H24A H25B 2.4934 no .
H24A H25C 3.5717 no .
H24B H25A 2.4935 no .
H24B H25B 2.9627 no .
H24B H25C 3.5718 no .
H24C H25A 3.5709 no .
H24C H25B 3.5709 no .
Te1 H11A 3.3498 no 7_556
Te1 H12B 3.3047 no 7_556
P9 H11A 3.5521 no 7_556
O1 H11B 3.2567 no 7_546
O1 H19C 2.7532 no 3_546
O1 H21A 3.4993 no 4_554
O1 H24C 3.4048 no 4_554
C1 H11A 2.9826 no 7_556
C1 H12B 3.1621 no 7_556
C1 H23 3.2394 no 6_546
C2 H12B 3.1006 no 7_556
C2 H21B 3.0530 no 4_554
C2 H22B 3.1308 no 6_546
C2 H22C 3.5800 no 6_546
C2 H23 3.4139 no 6_546
C3 H21B 3.3737 no 4_554
C3 H22A 3.1188 no 4_554
C3 H22B 3.0322 no 6_546
C3 H23 3.5556 no 6_546
C3 H25C 3.4645 no 7_556
C4 H23 3.4820 no 6_546
C4 H24B 2.9980 no 6_546
C4 H24C 3.4675 no 6_546
C5 H23 3.2499 no 6_546
C5 H24B 2.9696 no 6_546
C5 H25A 3.5373 no 6_546
C6 H24B 2.9550 no 6_546
C6 H25A 3.4984 no 6_546
C7 H18 3.1414 no 6_556
C7 H20 3.4343 no 6_556
C7 H21B 3.3446 no 6_556
C7 H21C 3.4698 no 6_556
C7 H25A 3.3962 no 6_546
C8 H18 3.0426 no 6_556
C8 H20 3.2406 no 6_556
C8 H25A 3.3314 no 6_546
C9 H11A 3.3700 no 7_556
C9 H25A 3.4182 no 6_546
C10 H11A 3.1108 no 7_556
C10 H23 3.1734 no 6_546
C10 H25A 3.5402 no 6_546
C11 H19B 3.1413 no 5_555
C11 H24B 2.9898 no 6_546
C11 H24C 3.5697 no 6_546
C12 H14 3.5062 no 7_556
C12 H19B 3.2267 no 5_555
C12 H24B 2.9839 no 6_546
C13 H12B 3.5813 no 7_556
C13 H21B 3.5248 no 4_554
C14 H12B 3.2848 no 7_556
C14 H14 3.1384 no 3_556
C14 H15 3.2910 no 3_556
C14 H21A 3.5024 no 4_554
C14 H21B 3.2427 no 4_554
C15 H14 3.0176 no 3_556
C15 H21A 3.0298 no 4_554
C15 H21B 3.4246 no 4_554
C15 H21C 3.5229 no 4_554
C16 H21A 3.0530 no 4_554
C17 H21A 3.5235 no 4_554
C17 H25A 3.4196 no 1_545
C17 H25B 3.3290 no 1_545
C18 H22C 3.0034 no 6_546
C18 H25A 3.5084 no 1_545
C19 H11B 3.5362 no 5_445
C19 H19C 3.4574 no 3_546
C20 H3 3.5698 no 4_555
C20 H25C 3.4443 no 6_546
C21 H2 3.2386 no 4_555
C21 H7 3.2246 no 6_546
C22 H3 3.2167 no 4_555
C22 H18 3.3169 no 6_556
C22 H22A 3.4056 no 7_557
C22 H25C 3.4586 no 6_546
C24 H11B 3.2238 no 6_556
C24 H12A 3.5810 no 6_556
C24 H19A 3.5456 no 4_555
C25 H3 3.5390 no 7_556
C25 H11A 3.5421 no 7_556
C25 H17 2.9190 no 1_565
C25 H20 3.2668 no 6_556
C26 H15 3.4961 no 5_555
C26 H15 3.4961 no 6_555
C26 H19A 3.1503 no 5_555
C26 H19A 3.1503 no 6_555
C26 H21C 3.4199 no 7_556
C26 H21C 3.4199 no 8_554
C27 H15 3.2237 no 6_555
C27 H21C 3.0885 no 7_556
C29 H12A 3.3893 no 4_564
C30 H12A 3.0185 no 4_564
C31 H19C 3.4947 no 5_565
C31 H19C 3.4947 no 6_565
C31 H24A 3.2031 no 7_566
C31 H24A 3.2031 no 8_564
H2 C21 3.2386 no 4_554
H2 H12B 2.9537 no 7_556
H2 H21A 3.5382 no 4_554
H2 H21B 2.2815 no 4_554
H2 H22A 3.2697 no 4_554
H2 H22B 3.1964 no 6_546
H2 H22C 3.4088 no 6_546
H3 C20 3.5698 no 4_554
H3 C22 3.2167 no 4_554
H3 C25 3.5390 no 7_556
H3 H20 3.1898 no 4_554
H3 H21B 2.9646 no 4_554
H3 H22A 2.3331 no 4_554
H3 H22B 3.0503 no 6_546
H3 H25C 2.6624 no 7_556
H7 C21 3.2246 no 6_556
H7 H18 2.9396 no 6_556
H7 H20 3.2088 no 6_556
H7 H21B 2.9620 no 6_556
H7 H21C 2.7332 no 6_556
H8 H18 2.7377 no 6_556
H8 H20 2.8239 no 6_556
H11A Te1 3.3498 no 7_556
H11A P9 3.5521 no 7_556
H11A C1 2.9826 no 7_556
H11A C9 3.3700 no 7_556
H11A C10 3.1108 no 7_556
H11A C25 3.5421 no 7_556
H11A H19B 2.9248 no 5_555
H11A H25B 3.0196 no 7_556
H11A H25C 3.2173 no 7_556
H11B O1 3.2567 no 7_546
H11B C19 3.5362 no 5_555
H11B C24 3.2238 no 6_546
H11B H17 3.3130 no 7_546
H11B H19B 2.8914 no 5_555
H11B H19C 3.3491 no 5_555
H11B H24B 2.6410 no 6_546
H11B H24C 2.9253 no 6_546
H11B H25B 3.4324 no 7_556
H12A C24 3.5810 no 6_546
H12A C29 3.3893 no 4_565
H12A C30 3.0185 no 4_565
H12A H19B 2.9981 no 5_555
H12A H24B 2.6552 no 6_546
H12B Te1 3.3047 no 7_556
H12B C1 3.1621 no 7_556
H12B C2 3.1006 no 7_556
H12B C13 3.5813 no 7_556
H12B C14 3.2848 no 7_556
H12B H2 2.9537 no 7_556
H12B H14 2.6069 no 7_556
H12B H19B 3.0787 no 5_555
H14 C12 3.5062 no 7_556
H14 C14 3.1384 no 3_556
H14 C15 3.0176 no 3_556
H14 H12B 2.6069 no 7_556
H14 H14 2.8678 no 3_556
H14 H15 2.6515 no 3_556
H14 H21B 3.4544 no 4_554
H15 C14 3.2910 no 3_556
H15 C26 3.4961 no 5_445
H15 C27 3.2237 no 6_545
H15 H14 2.6515 no 3_556
H15 H21A 3.2410 no 4_554
H15 H21C 3.4270 no 4_554
H17 C25 2.9190 no 1_545
H17 H11B 3.3130 no 7_546
H17 H19C 3.2925 no 3_546
H17 H22C 3.5570 no 6_546
H17 H25A 2.7351 no 1_545
H17 H25B 2.4049 no 1_545
H17 H25C 3.1818 no 1_545
H18 C7 3.1414 no 6_546
H18 C8 3.0426 no 6_546
H18 C22 3.3169 no 6_546
H18 H7 2.9396 no 6_546
H18 H8 2.7377 no 6_546
H18 H22A 3.5279 no 6_546
H18 H22C 2.4033 no 6_546
H18 H25A 2.9084 no 1_545
H19A C24 3.5456 no 4_554
H19A C26 3.1503 no 5_445
H19A H21A 3.3162 no 4_554
H19A H24A 3.0014 no 4_554
H19A H24C 3.2633 no 4_554
H19B C11 3.1413 no 5_445
H19B C12 3.2267 no 5_445
H19B H11A 2.9248 no 5_445
H19B H11B 2.8914 no 5_445
H19B H12A 2.9981 no 5_445
H19B H12B 3.0787 no 5_445
H19C O1 2.7532 no 3_546
H19C C19 3.4574 no 3_546
H19C C31 3.4947 no 5_435
H19C H11B 3.3491 no 5_445
H19C H17 3.2925 no 3_546
H19C H19C 3.2158 no 3_546
H19C H25B 3.4873 no 3_556
H20 C7 3.4343 no 6_546
H20 C8 3.2406 no 6_546
H20 C25 3.2668 no 6_546
H20 H3 3.1898 no 4_555
H20 H7 3.2088 no 6_546
H20 H8 2.8239 no 6_546
H20 H23 3.5113 no 6_546
H20 H25A 3.1352 no 6_546
H20 H25C 2.6062 no 6_546
H21A O1 3.4993 no 4_555
H21A C14 3.5024 no 4_555
H21A C15 3.0298 no 4_555
H21A C16 3.0530 no 4_555
H21A C17 3.5235 no 4_555
H21A H2 3.5382 no 4_555
H21A H15 3.2410 no 4_555
H21A H19A 3.3162 no 4_555
H21B C2 3.0530 no 4_555
H21B C3 3.3737 no 4_555
H21B C7 3.3446 no 6_546
H21B C13 3.5248 no 4_555
H21B C14 3.2427 no 4_555
H21B C15 3.4246 no 4_555
H21B H2 2.2815 no 4_555
H21B H3 2.9646 no 4_555
H21B H7 2.9620 no 6_546
H21B H14 3.4544 no 4_555
H21C C7 3.4698 no 6_546
H21C C15 3.5229 no 4_555
H21C C26 3.4199 no 7_556
H21C C27 3.0885 no 7_556
H21C H7 2.7332 no 6_546
H21C H15 3.4270 no 4_555
H22A C3 3.1188 no 4_555
H22A C22 3.4056 no 7_557
H22A H2 3.2697 no 4_555
H22A H3 2.3331 no 4_555
H22A H18 3.5279 no 6_556
H22A H22A 2.9468 no 7_557
H22A H22B 2.9715 no 7_557
H22A H25C 3.1483 no 6_546
H22B C2 3.1308 no 6_556
H22B C3 3.0322 no 6_556
H22B H2 3.1964 no 6_556
H22B H3 3.0503 no 6_556
H22B H22A 2.9715 no 7_557
H22C C2 3.5800 no 6_556
H22C C18 3.0034 no 6_556
H22C H2 3.4088 no 6_556
H22C H17 3.5570 no 6_556
H22C H18 2.4033 no 6_556
H22C H25A 3.0293 no 6_546
H22C H25C 3.2819 no 6_546
H23 C1 3.2394 no 6_556
H23 C2 3.4139 no 6_556
H23 C3 3.5556 no 6_556
H23 C4 3.4820 no 6_556
H23 C5 3.2499 no 6_556
H23 C10 3.1734 no 6_556
H23 H20 3.5113 no 6_556
H24A C31 3.2031 no 7_566
H24A H19A 3.0014 no 4_555
H24B C4 2.9980 no 6_556
H24B C5 2.9696 no 6_556
H24B C6 2.9550 no 6_556
H24B C11 2.9898 no 6_556
H24B C12 2.9839 no 6_556
H24B H11B 2.6410 no 6_556
H24B H12A 2.6552 no 6_556
H24C O1 3.4048 no 4_555
H24C C4 3.4675 no 6_556
H24C C11 3.5697 no 6_556
H24C H11B 2.9253 no 6_556
H24C H19A 3.2633 no 4_555
H25A C5 3.5373 no 6_556
H25A C6 3.4984 no 6_556
H25A C7 3.3962 no 6_556
H25A C8 3.3314 no 6_556
H25A C9 3.4182 no 6_556
H25A C10 3.5402 no 6_556
H25A C17 3.4196 no 1_565
H25A C18 3.5084 no 1_565
H25A H17 2.7351 no 1_565
H25A H18 2.9084 no 1_565
H25A H20 3.1352 no 6_556
H25A H22C 3.0293 no 6_556
H25B C17 3.3290 no 1_565
H25B H11A 3.0196 no 7_556
H25B H11B 3.4324 no 7_556
H25B H17 2.4049 no 1_565
H25B H19C 3.4873 no 3_556
H25C C3 3.4645 no 7_556
H25C C20 3.4443 no 6_556
H25C C22 3.4586 no 6_556
H25C H3 2.6624 no 7_556
H25C H11A 3.2173 no 7_556
H25C H17 3.1818 no 1_565
H25C H20 2.6062 no 6_556
H25C H22A 3.1483 no 6_556
H25C H22C 3.2819 no 6_556
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Te1 C13 C14 -103.0(3) no . . .
C1 Te1 C13 C18 88.0(3) no . . .
C13 Te1 C1 C2 10.8(2) no . . .
C13 Te1 C1 C10 -169.9(2) no . . .
C9 P9 C20 C21 -161.7(2) no . . .
C9 P9 C20 C22 70.0(3) no . . .
C20 P9 C9 C8 -81.3(3) no . . .
C20 P9 C9 C10 100.2(3) no . . .
C9 P9 C23 C24 -175.4(2) no . . .
C9 P9 C23 C25 64.5(3) no . . .
C23 P9 C9 C8 28.9(3) no . . .
C23 P9 C9 C10 -149.6(2) no . . .
C20 P9 C23 C24 -68.4(2) no . . .
C20 P9 C23 C25 171.4(2) no . . .
C23 P9 C20 C21 89.0(3) no . . .
C23 P9 C20 C22 -39.3(3) no . . .
C19 O1 C16 C15 -2.3(6) no . . .
C19 O1 C16 C17 177.5(3) no . . .
Te1 C1 C2 C3 179.7(2) no . . .
Te1 C1 C10 C5 179.59(19) no . . .
Te1 C1 C10 C9 -0.6(5) no . . .
C2 C1 C10 C5 -1.1(5) no . . .
C2 C1 C10 C9 178.7(3) no . . .
C10 C1 C2 C3 0.4(5) no . . .
C1 C2 C3 C4 0.2(6) no . . .
C2 C3 C4 C5 0.0(5) no . . .
C2 C3 C4 C11 179.3(3) no . . .
C3 C4 C5 C6 -179.1(3) no . . .
C3 C4 C5 C10 -0.9(5) no . . .
C3 C4 C11 C12 178.7(4) no . . .
C5 C4 C11 C12 -2.0(4) no . . .
C11 C4 C5 C6 1.5(4) no . . .
C11 C4 C5 C10 179.7(3) no . . .
C4 C5 C6 C7 178.3(3) no . . .
C4 C5 C6 C12 -0.3(4) no . . .
C4 C5 C10 C1 1.4(5) no . . .
C4 C5 C10 C9 -178.5(3) no . . .
C6 C5 C10 C1 179.4(3) no . . .
C6 C5 C10 C9 -0.5(5) no . . .
C10 C5 C6 C7 0.1(5) no . . .
C10 C5 C6 C12 -178.6(3) no . . .
C5 C6 C7 C8 0.1(5) no . . .
C5 C6 C12 C11 -0.9(4) no . . .
C7 C6 C12 C11 -179.3(4) no . . .
C12 C6 C7 C8 178.3(3) no . . .
C6 C7 C8 C9 0.2(6) no . . .
C7 C8 C9 P9 -179.2(3) no . . .
C7 C8 C9 C10 -0.7(5) no . . .
P9 C9 C10 C1 -0.5(5) no . . .
P9 C9 C10 C5 179.4(2) no . . .
C8 C9 C10 C1 -179.1(3) no . . .
C8 C9 C10 C5 0.8(5) no . . .
C4 C11 C12 C6 1.7(4) no . . .
Te1 C13 C14 C15 -169.1(2) no . . .
Te1 C13 C18 C17 170.2(2) no . . .
C14 C13 C18 C17 0.9(6) no . . .
C18 C13 C14 C15 0.2(5) no . . .
C13 C14 C15 C16 -0.2(6) no . . .
C14 C15 C16 O1 178.8(3) no . . .
C14 C15 C16 C17 -0.9(6) no . . .
O1 C16 C17 C18 -177.7(3) no . . .
C15 C16 C17 C18 2.0(6) no . . .
C16 C17 C18 C13 -2.0(7) no . . .
C27 C26 C27 C27 -0.0(5) no . 2_655 .
C27 C26 C27 C28 0.0(7) no . 2_655 .
C27 C26 C27 C27 -0.0(5) no 2_655 . 2_655
C27 C26 C27 C28 -0.0(7) no 2_655 . .
C26 C27 C27 C26 -0.0 no . 2_655 .
C26 C27 C27 C28 -180.0(6) no . 2_655 .
C26 C27 C28 C27 0.0(5) no . . 2_655
C26 C27 C28 C29 175.4(4) no . . .
C27 C27 C28 C27 0.0(5) no 2_655 . 2_655
C27 C27 C28 C29 175.4(5) no 2_655 . .
C28 C27 C27 C26 180.0(6) no . 2_655 .
C28 C27 C27 C28 0.0 no . 2_655 .
C27 C28 C29 C29 173.1(6) no . . 2_655
C27 C28 C29 C30 126(3) no . . .
C27 C28 C29 C30 -172.0(7) no . . 2_655
C27 C28 C29 C29 173.1(6) no 2_655 2_655 .
C27 C28 C29 C30 126(3) no 2_655 2_655 2_655
C27 C28 C29 C30 -172.0(7) no 2_655 2_655 .
C29 C28 C29 C29 0.0(9) no . 2_655 .
C29 C28 C29 C30 -47(3) no . 2_655 2_655
C29 C28 C29 C30 14.9(10) no . 2_655 .
C29 C28 C29 C29 0.0(9) no 2_655 . 2_655
C29 C28 C29 C30 -47(3) no 2_655 . .
C29 C28 C29 C30 14.9(10) no 2_655 . 2_655
C28 C29 C29 C28 0.0 no . 2_655 .
C28 C29 C29 C30 163.3(10) no . 2_655 2_655
C28 C29 C29 C30 -163.3(10) no . 2_655 .
C28 C29 C30 C29 44(3) no . . 2_655
C28 C29 C30 C30 77(3) no . . 2_655
C28 C29 C30 C31 96(4) no . . .
C28 C29 C30 C29 -18.3(7) no . 2_655 2_655
C28 C29 C30 C30 -153.8(13) no . 2_655 .
C28 C29 C30 C31 -166.4(9) no . 2_655 .
C29 C29 C30 C29 -0.0(9) no 2_655 . 2_655
C29 C29 C30 C30 33.0(13) no 2_655 . 2_655
C29 C29 C30 C31 52(2) no 2_655 . .
C30 C29 C29 C28 163.3(12) no . 2_655 .
C30 C29 C29 C30 -33.5(12) no . 2_655 2_655
C30 C29 C29 C30 -0.0(6) no . 2_655 .
C29 C29 C30 C29 -0.0(11) no 2_655 2_655 2_655
C29 C29 C30 C30 -135.5(17) no 2_655 2_655 .
C29 C29 C30 C31 -148.1(16) no 2_655 2_655 .
C30 C29 C29 C28 -163.3(12) no 2_655 2_655 .
C30 C29 C29 C30 -0.0(6) no 2_655 2_655 2_655
C30 C29 C29 C30 33.5(12) no 2_655 2_655 .
C30 C29 C30 C29 135.5(14) no . 2_655 2_655
C30 C29 C30 C30 -0.0(8) no . 2_655 .
C30 C29 C30 C31 -12.6(11) no . 2_655 .
C30 C29 C30 C29 -33.0(11) no 2_655 . 2_655
C30 C29 C30 C30 -0.0(6) no 2_655 . 2_655
C30 C29 C30 C31 19.0(16) no 2_655 . .
C29 C30 C30 C29 -25.1(8) no . 2_655 2_655
C29 C30 C30 C29 -0.0(6) no . 2_655 .
C29 C30 C30 C31 167.4(11) no . 2_655 .
C29 C30 C31 C30 -20.4(16) no . . 2_655
C29 C30 C30 C29 -0.0(6) no 2_655 2_655 2_655
C29 C30 C30 C29 25.1(8) no 2_655 2_655 .
C29 C30 C30 C31 -167.4(11) no 2_655 2_655 .
C29 C30 C31 C30 10.5(6) no 2_655 . 2_655
C30 C30 C31 C30 -0.0(6) no 2_655 . 2_655
C31 C30 C30 C29 167.4(8) no . 2_655 2_655
C31 C30 C30 C29 -167.4(8) no . 2_655 .
C31 C30 C30 C31 0.0 no . 2_655 .
