#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:53:21 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179710 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/13/7001318.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_7001318
loop_
_publ_author_name
'Gurnani, Chitra'
'Jura, Marek'
'Levason, William'
'Ratnani, Raju'
'Reid, Gillian'
'Webster, Michael'
_publ_section_title
;
 Preparation and structures of tellurium(iv) halide complexes with
 thioether coordination
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              4122
_journal_page_last               4128
_journal_paper_doi               10.1039/b902771h
_journal_year                    2009
_chemical_formula_moiety         'C8 H18 Cl S2 Te 1+, Cl9 Te2 1-'
_chemical_formula_structural     '((C8 H18 S2) Te Cl) (Cl9 Te2)'
_chemical_formula_sum            'C8 H18 Cl10 S2 Te3'
_chemical_formula_weight         915.64
_chemical_name_common
;chloro(1,2-bis(isopropylthio)ethane)tellurium(ii)
nonachloroditellurium(IV)
;
_chemical_name_systematic
;
chloro(1,2-bis(isopropylthio)ethane)tellurium(II) nonachloroditellurium(IV)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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_date             2008-11-13
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                98.143(5)
_cell_angle_beta                 98.110(5)
_cell_angle_gamma                100.759(5)
_cell_formula_units_Z            4
_cell_length_a                   10.6256(10)
_cell_length_b                   13.7668(10)
_cell_length_c                   18.1851(15)
_cell_measurement_reflns_used    45929
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2548.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            48243
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.619
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         11643
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+10.7512P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                9651
_reflns_number_total             11643
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b902771h.txt
_cod_data_source_block           08mj51
_cod_database_code               7001318
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.25198(3) 0.82649(2) 0.235963(18) 0.01692(7) Uani 1 1 d . . .
Te2 Te 0.73185(3) 0.68594(2) 0.275854(17) 0.01673(7) Uani 1 1 d . . .
Te3 Te 0.18289(3) 0.48839(2) 0.319637(18) 0.01841(7) Uani 1 1 d . . .
Te4 Te 0.32117(3) 0.77162(2) 0.446057(17) 0.01620(7) Uani 1 1 d . . .
Te5 Te 0.71676(3) 0.71694(2) 0.054850(17) 0.01584(7) Uani 1 1 d . . .
Te6 Te 0.76473(3) 1.00318(2) 0.168418(17) 0.01543(7) Uani 1 1 d . . .
Cl1 Cl 0.15740(12) 0.87963(10) 0.36000(7) 0.0246(3) Uani 1 1 d . . .
Cl2 Cl 0.55236(12) 0.63123(9) 0.15479(7) 0.0220(3) Uani 1 1 d . . .
Cl3 Cl 0.02222(12) 0.57025(10) 0.25632(8) 0.0295(3) Uani 1 1 d . . .
Cl4 Cl 0.01537(14) 0.35607(11) 0.33138(10) 0.0418(4) Uani 1 1 d . . .
Cl5 Cl 0.21565(18) 0.41151(11) 0.20257(8) 0.0415(4) Uani 1 1 d . . .
Cl6 Cl 0.34521(12) 0.40078(10) 0.38422(8) 0.0289(3) Uani 1 1 d D . .
Cl7 Cl 0.47434(12) 0.70208(10) 0.51495(7) 0.0227(3) Uani 1 1 d . . .
Cl8 Cl 0.49201(12) 0.90016(9) 0.43178(7) 0.0255(3) Uani 1 1 d . . .
Cl9 Cl 0.28017(14) 0.85924(10) 0.55853(7) 0.0275(3) Uani 1 1 d . . .
Cl10 Cl 0.37420(11) 0.66472(9) 0.31543(7) 0.0206(2) Uani 1 1 d . . .
Cl11 Cl 0.15043(12) 0.59922(10) 0.46175(7) 0.0252(3) Uani 1 1 d . . .
Cl12 Cl 0.57272(14) 0.61231(11) -0.04710(8) 0.0321(3) Uani 1 1 d . . .
Cl13 Cl 0.86555(12) 0.77567(10) -0.02084(7) 0.0249(3) Uani 1 1 d . . .
Cl14 Cl 0.83411(13) 0.59010(9) 0.07736(7) 0.0261(3) Uani 1 1 d . . .
Cl15 Cl 0.60251(12) 0.93199(10) 0.24184(8) 0.0265(3) Uani 1 1 d . . .
Cl16 Cl 0.93330(12) 1.08102(10) 0.09792(7) 0.0263(3) Uani 1 1 d . . .
Cl17 Cl 0.89353(14) 1.09442(10) 0.28073(7) 0.0310(3) Uani 1 1 d . . .
Cl18 Cl 0.64681(13) 1.13081(10) 0.14720(8) 0.0273(3) Uani 1 1 d . . .
Cl19 Cl 0.61166(12) 0.87752(10) 0.02730(7) 0.0244(3) Uani 1 1 d . . .
Cl20 Cl 0.88625(11) 0.84079(9) 0.18345(7) 0.0218(3) Uani 1 1 d . . .
S1 S 0.19365(11) 0.97914(9) 0.19676(7) 0.0172(2) Uani 1 1 d . . .
S2 S 0.32290(12) 0.79529(9) 0.10463(7) 0.0185(2) Uani 1 1 d . . .
S3 S 0.88142(11) 0.71488(9) 0.40885(7) 0.0170(2) Uani 1 1 d . . .
S4 S 0.62240(11) 0.53167(9) 0.31416(7) 0.0166(2) Uani 1 1 d . . .
C1 C 0.3664(6) 1.1022(4) 0.3130(3) 0.0341(14) Uani 1 1 d . . .
H1A H 0.4466 1.1532 0.3312 0.051 Uiso 1 1 calc R . .
H1B H 0.3742 1.0411 0.3336 0.051 Uiso 1 1 calc R . .
H1C H 0.2928 1.1275 0.3293 0.051 Uiso 1 1 calc R . .
C2 C 0.3240(6) 1.1673(4) 0.1902(3) 0.0334(14) Uani 1 1 d . . .
H2A H 0.2425 1.1856 0.2001 0.050 Uiso 1 1 calc R . .
H2B H 0.3200 1.1492 0.1357 0.050 Uiso 1 1 calc R . .
H2C H 0.3966 1.2244 0.2106 0.050 Uiso 1 1 calc R . .
C3 C 0.3442(5) 1.0784(4) 0.2278(3) 0.0197(10) Uani 1 1 d . . .
H3 H 0.4195 1.0528 0.2111 0.024 Uiso 1 1 calc R . .
C4 C 0.1852(5) 0.9483(4) 0.0951(3) 0.0185(10) Uani 1 1 d . . .
H4A H 0.1051 0.8969 0.0738 0.022 Uiso 1 1 calc R . .
H4B H 0.1781 1.0091 0.0729 0.022 Uiso 1 1 calc R . .
C5 C 0.2999(5) 0.9097(4) 0.0716(3) 0.0207(11) Uani 1 1 d . . .
H5A H 0.3797 0.9623 0.0909 0.025 Uiso 1 1 calc R . .
H5B H 0.2885 0.8977 0.0158 0.025 Uiso 1 1 calc R . .
C6 C 0.1809(5) 0.6992(4) 0.0527(3) 0.0213(11) Uani 1 1 d . . .
H6 H 0.0991 0.7213 0.0620 0.026 Uiso 1 1 calc R . .
C7 C 0.1890(5) 0.6048(4) 0.0862(3) 0.0244(11) Uani 1 1 d . . .
H7A H 0.1139 0.5513 0.0623 0.037 Uiso 1 1 calc R . .
H7B H 0.1891 0.6190 0.1406 0.037 Uiso 1 1 calc R . .
H7C H 0.2693 0.5833 0.0774 0.037 Uiso 1 1 calc R . .
C8 C 0.1848(6) 0.6853(4) -0.0315(3) 0.0293(13) Uani 1 1 d . . .
H8A H 0.2674 0.6679 -0.0404 0.044 Uiso 1 1 calc R . .
H8B H 0.1771 0.7478 -0.0500 0.044 Uiso 1 1 calc R . .
H8C H 0.1125 0.6312 -0.0584 0.044 Uiso 1 1 calc R . .
C9 C 0.8459(5) 0.9065(4) 0.4260(3) 0.0265(12) Uani 1 1 d . . .
H9A H 0.9403 0.9271 0.4295 0.040 Uiso 1 1 calc R . .
H9B H 0.8132 0.9607 0.4530 0.040 Uiso 1 1 calc R . .
H9C H 0.8042 0.8920 0.3729 0.040 Uiso 1 1 calc R . .
C10 C 0.8768(7) 0.8314(4) 0.5448(3) 0.0356(14) Uani 1 1 d . . .
H10A H 0.8488 0.8883 0.5718 0.053 Uiso 1 1 calc R . .
H10B H 0.9717 0.8465 0.5497 0.053 Uiso 1 1 calc R . .
H10C H 0.8491 0.7713 0.5665 0.053 Uiso 1 1 calc R . .
C11 C 0.8151(5) 0.8128(4) 0.4612(3) 0.0192(10) Uani 1 1 d . . .
H11 H 0.7187 0.7902 0.4559 0.023 Uiso 1 1 calc R . .
C12 C 0.8159(5) 0.6019(4) 0.4426(3) 0.0195(10) Uani 1 1 d . . .
H12A H 0.8623 0.5489 0.4258 0.023 Uiso 1 1 calc R . .
H12B H 0.8331 0.6153 0.4984 0.023 Uiso 1 1 calc R . .
C13 C 0.6695(5) 0.5624(4) 0.4154(3) 0.0193(10) Uani 1 1 d . . .
H13A H 0.6229 0.6139 0.4348 0.023 Uiso 1 1 calc R . .
H13B H 0.6415 0.5017 0.4372 0.023 Uiso 1 1 calc R . .
C14 C 0.7165(5) 0.4358(4) 0.2872(3) 0.0177(10) Uani 1 1 d . . .
H14 H 0.8115 0.4651 0.3037 0.021 Uiso 1 1 calc R . .
C15 C 0.6867(6) 0.4081(4) 0.2017(3) 0.0286(12) Uani 1 1 d . . .
H15A H 0.5934 0.3803 0.1854 0.043 Uiso 1 1 calc R . .
H15B H 0.7358 0.3580 0.1851 0.043 Uiso 1 1 calc R . .
H15C H 0.7116 0.4682 0.1795 0.043 Uiso 1 1 calc R . .
C16 C 0.6782(5) 0.3476(4) 0.3259(3) 0.0231(11) Uani 1 1 d . . .
H16A H 0.7175 0.2924 0.3064 0.035 Uiso 1 1 calc R . .
H16B H 0.5834 0.3255 0.3162 0.035 Uiso 1 1 calc R . .
H16C H 0.7091 0.3675 0.3804 0.035 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S1 Te1 S2 85.35(4) . . ?
S1 Te1 Cl1 85.37(4) . . ?
S2 Te1 Cl1 170.27(4) . . ?
S4 Te2 Cl2 84.64(4) . . ?
S4 Te2 S3 84.38(4) . . ?
Cl2 Te2 S3 168.59(4) . . ?
Cl5 Te3 Cl4 94.60(7) . . ?
Cl5 Te3 Cl3 90.35(5) . . ?
Cl4 Te3 Cl3 90.35(5) . . ?
Cl5 Te3 Cl6 89.34(5) . . ?
Cl4 Te3 Cl6 88.59(5) . . ?
Cl3 Te3 Cl6 178.87(5) . . ?
Cl5 Te3 Cl10 91.02(5) . . ?
Cl4 Te3 Cl10 173.62(5) . . ?
Cl3 Te3 Cl10 86.60(4) . . ?
Cl6 Te3 Cl10 94.49(4) . . ?
Cl5 Te3 Cl11 175.42(5) . . ?
Cl4 Te3 Cl11 89.53(5) . . ?
Cl3 Te3 Cl11 87.64(4) . . ?
Cl6 Te3 Cl11 92.74(4) . . ?
Cl10 Te3 Cl11 84.75(4) . . ?
Cl7 Te4 Cl8 88.84(5) . . ?
Cl7 Te4 Cl9 90.78(5) . . ?
Cl8 Te4 Cl9 94.74(5) . . ?
Cl7 Te4 Cl11 83.04(4) . . ?
Cl8 Te4 Cl11 170.23(4) . . ?
Cl9 Te4 Cl11 90.81(5) . . ?
Cl7 Te4 Cl10 87.53(4) . . ?
Cl8 Te4 Cl10 85.49(4) . . ?
Cl9 Te4 Cl10 178.28(4) . . ?
Cl11 Te4 Cl10 88.72(4) . . ?
Cl7 Te4 Cl1 172.70(4) . . ?
Cl8 Te4 Cl1 83.89(4) . . ?
Cl9 Te4 Cl1 89.12(4) . . ?
Cl11 Te4 Cl1 104.26(4) . . ?
Cl10 Te4 Cl1 92.60(4) . . ?
Cl12 Te5 Cl13 93.43(5) . . ?
Cl12 Te5 Cl14 92.85(5) . . ?
Cl13 Te5 Cl14 89.11(5) . . ?
Cl12 Te5 Cl19 91.22(5) . . ?
Cl13 Te5 Cl19 84.53(4) . . ?
Cl14 Te5 Cl19 172.64(4) . . ?
Cl12 Te5 Cl20 177.60(5) . . ?
Cl13 Te5 Cl20 88.94(4) . . ?
Cl14 Te5 Cl20 86.79(4) . . ?
Cl19 Te5 Cl20 89.39(4) . . ?
Cl12 Te5 Cl2 88.38(4) . . ?
Cl13 Te5 Cl2 173.70(4) . . ?
Cl14 Te5 Cl2 84.77(4) . . ?
Cl19 Te5 Cl2 101.48(4) . . ?
Cl20 Te5 Cl2 89.23(4) . . ?
Cl17 Te6 Cl18 94.68(5) . . ?
Cl17 Te6 Cl15 89.24(5) . . ?
Cl18 Te6 Cl15 89.85(4) . . ?
Cl17 Te6 Cl16 88.68(5) . . ?
Cl18 Te6 Cl16 89.57(4) . . ?
Cl15 Te6 Cl16 177.80(5) . . ?
Cl17 Te6 Cl20 90.36(5) . . ?
Cl18 Te6 Cl20 174.80(4) . . ?
Cl15 Te6 Cl20 88.92(4) . . ?
Cl16 Te6 Cl20 91.84(4) . . ?
Cl17 Te6 Cl19 176.28(5) . . ?
Cl18 Te6 Cl19 89.03(4) . . ?
Cl15 Te6 Cl19 91.01(4) . . ?
Cl16 Te6 Cl19 91.11(4) . . ?
Cl20 Te6 Cl19 85.94(4) . . ?
Te1 Cl1 Te4 91.16(4) . . ?
Te2 Cl2 Te5 95.07(4) . . ?
Te4 Cl10 Te3 93.23(4) . . ?
Te4 Cl11 Te3 92.92(4) . . ?
Te5 Cl19 Te6 91.77(4) . . ?
Te6 Cl20 Te5 92.34(4) . . ?
C4 S1 C3 103.6(2) . . ?
C4 S1 Te1 100.31(16) . . ?
C3 S1 Te1 105.02(16) . . ?
C5 S2 C6 104.3(2) . . ?
C5 S2 Te1 99.90(16) . . ?
C6 S2 Te1 100.02(17) . . ?
C12 S3 C11 104.0(2) . . ?
C12 S3 Te2 100.53(16) . . ?
C11 S3 Te2 100.50(16) . . ?
C13 S4 C14 103.3(2) . . ?
C13 S4 Te2 101.08(17) . . ?
C14 S4 Te2 105.41(16) . . ?
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 C2 113.5(5) . . ?
C1 C3 S1 107.5(4) . . ?
C2 C3 S1 107.3(3) . . ?
C1 C3 H3 109.5 . . ?
C2 C3 H3 109.5 . . ?
S1 C3 H3 109.5 . . ?
C5 C4 S1 114.5(3) . . ?
C5 C4 H4A 108.6 . . ?
S1 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
S1 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C4 C5 S2 114.3(3) . . ?
C4 C5 H5A 108.7 . . ?
S2 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
S2 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C8 113.3(4) . . ?
C7 C6 S2 105.4(3) . . ?
C8 C6 S2 109.9(4) . . ?
C7 C6 H6 109.4 . . ?
C8 C6 H6 109.4 . . ?
S2 C6 H6 109.4 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 H9A 109.5 . . ?
C11 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C11 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 C10 111.8(4) . . ?
C9 C11 S3 107.1(3) . . ?
C10 C11 S3 109.4(4) . . ?
C9 C11 H11 109.5 . . ?
C10 C11 H11 109.5 . . ?
S3 C11 H11 109.5 . . ?
C13 C12 S3 113.9(3) . . ?
C13 C12 H12A 108.8 . . ?
S3 C12 H12A 108.8 . . ?
C13 C12 H12B 108.8 . . ?
S3 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 S4 114.2(3) . . ?
C12 C13 H13A 108.7 . . ?
S4 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
S4 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C16 C14 C15 112.9(4) . . ?
C16 C14 S4 108.8(3) . . ?
C15 C14 S4 107.0(3) . . ?
C16 C14 H14 109.4 . . ?
C15 C14 H14 109.4 . . ?
S4 C14 H14 109.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 S1 2.4688(12) . ?
Te1 S2 2.6067(13) . ?
Te1 Cl1 2.6608(13) . ?
Te2 S4 2.4646(12) . ?
Te2 Cl2 2.6193(13) . ?
Te2 S3 2.6343(12) . ?
Te3 Cl5 2.3414(15) . ?
Te3 Cl4 2.3536(14) . ?
Te3 Cl3 2.4579(13) . ?
Te3 Cl6 2.5329(13) . ?
Te3 Cl10 2.8783(13) . ?
Te3 Cl11 2.9081(14) . ?
Te4 Cl7 2.3412(12) . ?
Te4 Cl8 2.3575(13) . ?
Te4 Cl9 2.3616(13) . ?
Te4 Cl11 2.7814(13) . ?
Te4 Cl10 2.7969(12) . ?
Te4 Cl1 2.9232(13) . ?
Te5 Cl12 2.3398(13) . ?
Te5 Cl13 2.3452(13) . ?
Te5 Cl14 2.3755(13) . ?
Te5 Cl19 2.7319(13) . ?
Te5 Cl20 2.8557(13) . ?
Te5 Cl2 2.9121(13) . ?
Te6 Cl17 2.3378(13) . ?
Te6 Cl18 2.3840(13) . ?
Te6 Cl15 2.4704(13) . ?
Te6 Cl16 2.5141(13) . ?
Te6 Cl20 2.8091(13) . ?
Te6 Cl19 2.9560(13) . ?
S1 C4 1.824(5) . ?
S1 C3 1.859(5) . ?
S2 C5 1.809(5) . ?
S2 C6 1.849(5) . ?
S3 C12 1.808(5) . ?
S3 C11 1.844(5) . ?
S4 C13 1.805(5) . ?
S4 C14 1.851(5) . ?
C1 C3 1.512(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.517(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3 1.0000 . ?
C4 C5 1.508(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.524(7) . ?
C6 C8 1.524(7) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.522(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.534(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 1.0000 . ?
C12 C13 1.533(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.508(7) . ?
C14 C15 1.520(7) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
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
S1 C4 C5 S2 60.7(5) . . . . ?
S3 C12 C13 S4 59.7(4) . . . . ?
