#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/63/4316307.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_4316307
loop_
_publ_author_name
'Fergus R. Knight'
'Amy L. Fuller'
'Michael Bühl'
'Alexandra M. Z. Slawin'
'J. Derek Woollins'
_publ_section_title
;
 Hypervalent Adducts of Chalcogen-Containing peri-Substituted
 Naphthalenes; Reactions of Sulfur, Selenium, and Tellurium with
 Dihalogens
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7577
_journal_page_last               7596
_journal_paper_doi               10.1021/ic101086h
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C16 H11 I3 Te '
_chemical_formula_sum            'C16 H11 I3 Te'
_chemical_formula_weight         711.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.034(9)
_cell_angle_beta                 92.232(12)
_cell_angle_gamma                103.475(12)
_cell_formula_units_Z            2
_cell_length_a                   7.290(4)
_cell_length_b                   9.642(6)
_cell_length_c                   13.294(7)
_cell_measurement_reflns_used    3369
_cell_measurement_temperature    125.1
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      1.6
_cell_volume                     877.1(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      125(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9605
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_exptl_absorpt_coefficient_mu    6.967
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             636.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.28
_refine_diff_density_min         -2.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3429
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1204P)²+5.0805P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1966
_reflns_number_gt                3196
_reflns_number_total             3429
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic101086h_si_014.cif
_cod_data_source_block           '__FKDW236-1'
_cod_original_cell_volume        877.0(9)
_cod_original_formula_sum        'C16 H11 I3 Te '
_cod_database_code               4316307
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
I(1) I 1.31905(11) 0.00210(9) 0.28489(5) 0.0356(2) Uani 1.00 1 d . . .
I(2) I 0.73357(10) -0.07948(7) 0.09601(5) 0.0283(2) Uani 1.00 1 d . . .
I(3) I 1.38307(9) 0.42882(8) 0.25205(6) 0.0301(2) Uani 1.00 1 d . . .
Te(1) Te 1.06064(8) 0.17809(7) 0.16975(4) 0.0215(2) Uani 1.00 1 d . . .
C(1) C 1.2176(16) 0.1219(12) 0.4149(8) 0.033(2) Uani 1.00 1 d . . .
C(2) C 1.3069(17) 0.1227(14) 0.5089(9) 0.039(2) Uani 1.00 1 d . . .
C(3) C 1.2471(18) 0.1802(12) 0.6028(8) 0.036(2) Uani 1.00 1 d . . .
C(4) C 1.0935(18) 0.2384(13) 0.6032(8) 0.036(2) Uani 1.00 1 d . . .
C(5) C 1.0008(13) 0.2455(11) 0.5117(7) 0.0234(19) Uani 1.00 1 d . . .
C(6) C 0.8407(16) 0.3067(11) 0.5149(8) 0.032(2) Uani 1.00 1 d . . .
C(7) C 0.7420(13) 0.3108(12) 0.4285(8) 0.030(2) Uani 1.00 1 d . . .
C(8) C 0.8085(14) 0.2631(12) 0.3320(8) 0.030(2) Uani 1.00 1 d . . .
C(9) C 0.9666(14) 0.2119(11) 0.3238(7) 0.0236(19) Uani 1.00 1 d . . .
C(10) C 1.0673(13) 0.1917(11) 0.4133(6) 0.0237(19) Uani 1.00 1 d . . .
C(11) C 0.9121(13) 0.3129(10) 0.1111(7) 0.0219(18) Uani 1.00 1 d . . .
C(12) C 0.8178(16) 0.2573(12) 0.0101(7) 0.031(2) Uani 1.00 1 d . . .
C(13) C 0.7388(14) 0.3476(11) -0.0321(8) 0.028(2) Uani 1.00 1 d . . .
C(14) C 0.7481(13) 0.4894(12) 0.0207(9) 0.030(2) Uani 1.00 1 d . . .
C(15) C 0.8362(14) 0.5453(11) 0.1222(8) 0.026(2) Uani 1.00 1 d . . .
C(16) C 0.9199(15) 0.4571(11) 0.1661(8) 0.029(2) Uani 1.00 1 d . . .
H(2) H 1.4136 0.0819 0.5083 0.047 Uiso 1.00 1 c R . .
H(3) H 1.3112 0.1797 0.6662 0.043 Uiso 1.00 1 c R . .
H(4) H 1.0483 0.2752 0.6679 0.043 Uiso 1.00 1 c R . .
H(6) H 0.8019 0.3463 0.5809 0.038 Uiso 1.00 1 c R . .
H(7) H 0.6299 0.3452 0.4330 0.036 Uiso 1.00 1 c R . .
H(8) H 0.7408 0.2669 0.2705 0.035 Uiso 1.00 1 c R . .
H(12) H 0.8094 0.1586 -0.0280 0.037 Uiso 1.00 1 c R . .
H(13) H 0.6752 0.3106 -0.1005 0.034 Uiso 1.00 1 c R . .
H(14) H 0.6943 0.5504 -0.0118 0.036 Uiso 1.00 1 c R . .
H(15) H 0.8385 0.6428 0.1604 0.031 Uiso 1.00 1 c R . .
H(16) H 0.9835 0.4949 0.2345 0.034 Uiso 1.00 1 c R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
I I -0.474 1.812
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Te Te -0.531 1.675
;
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_2
_geom_angle_site_symmetry_3
I(2) Te(1) I(3) 177.27(3) yes . . .
I(2) Te(1) C(9) 89.3(2) yes . . .
I(2) Te(1) C(11) 90.5(2) yes . . .
I(3) Te(1) C(9) 88.4(2) yes . . .
I(3) Te(1) C(11) 91.2(2) yes . . .
C(9) Te(1) C(11) 98.2(4) yes . . .
I(1) C(1) C(2) 113.4(9) yes . . .
I(1) C(1) C(10) 126.3(7) yes . . .
C(2) C(1) C(10) 120.2(10) yes . . .
C(1) C(2) C(3) 122.4(13) yes . . .
C(2) C(3) C(4) 118.5(11) yes . . .
C(3) C(4) C(5) 122.0(10) yes . . .
C(4) C(5) C(6) 120.5(10) yes . . .
C(4) C(5) C(10) 120.0(10) yes . . .
C(6) C(5) C(10) 119.5(9) yes . . .
C(5) C(6) C(7) 122.8(10) yes . . .
C(6) C(7) C(8) 118.4(10) yes . . .
C(7) C(8) C(9) 121.7(10) yes . . .
Te(1) C(9) C(8) 113.8(7) yes . . .
Te(1) C(9) C(10) 124.2(7) yes . . .
C(8) C(9) C(10) 121.9(9) yes . . .
C(1) C(10) C(5) 116.5(9) yes . . .
C(1) C(10) C(9) 128.2(8) yes . . .
C(5) C(10) C(9) 115.2(9) yes . . .
Te(1) C(11) C(12) 118.1(7) yes . . .
Te(1) C(11) C(16) 122.0(7) yes . . .
C(12) C(11) C(16) 119.7(11) yes . . .
C(11) C(12) C(13) 118.6(9) yes . . .
C(12) C(13) C(14) 122.1(9) yes . . .
C(13) C(14) C(15) 120.2(11) yes . . .
C(14) C(15) C(16) 118.9(9) yes . . .
C(11) C(16) C(15) 120.5(9) yes . . .
C(1) C(2) H(2) 118.8 no . . .
C(3) C(2) H(2) 118.8 no . . .
C(2) C(3) H(3) 120.7 no . . .
C(4) C(3) H(3) 120.8 no . . .
C(3) C(4) H(4) 119.0 no . . .
C(5) C(4) H(4) 119.0 no . . .
C(5) C(6) H(6) 118.6 no . . .
C(7) C(6) H(6) 118.6 no . . .
C(6) C(7) H(7) 120.8 no . . .
C(8) C(7) H(7) 120.8 no . . .
C(7) C(8) H(8) 119.1 no . . .
C(9) C(8) H(8) 119.1 no . . .
C(11) C(12) H(12) 120.7 no . . .
C(13) C(12) H(12) 120.7 no . . .
C(12) C(13) H(13) 119.0 no . . .
C(14) C(13) H(13) 119.0 no . . .
C(13) C(14) H(14) 119.9 no . . .
C(15) C(14) H(14) 119.9 no . . .
C(14) C(15) H(15) 120.5 no . . .
C(16) C(15) H(15) 120.5 no . . .
C(11) C(16) H(16) 119.8 no . . .
C(15) C(16) H(16) 119.7 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_1
_geom_bond_site_symmetry_2
I(1) C(1) 2.097(11) yes . .
I(2) Te(1) 2.9480(7) yes . .
I(3) Te(1) 2.9042(7) yes . .
Te(1) C(9) 2.159(9) yes . .
Te(1) C(11) 2.134(11) yes . .
C(1) C(2) 1.384(17) yes . .
C(1) C(10) 1.415(17) yes . .
C(2) C(3) 1.369(17) yes . .
C(3) C(4) 1.36(2) yes . .
C(4) C(5) 1.392(16) yes . .
C(5) C(6) 1.423(16) yes . .
C(5) C(10) 1.432(13) yes . .
C(6) C(7) 1.345(16) yes . .
C(7) C(8) 1.400(15) yes . .
C(8) C(9) 1.354(16) yes . .
C(9) C(10) 1.450(14) yes . .
C(11) C(12) 1.404(13) yes . .
C(11) C(16) 1.392(14) yes . .
C(12) C(13) 1.360(18) yes . .
C(13) C(14) 1.362(15) yes . .
C(14) C(15) 1.394(14) yes . .
C(15) C(16) 1.375(17) yes . .
C(2) H(2) 0.950 no . .
C(3) H(3) 0.950 no . .
C(4) H(4) 0.950 no . .
C(6) H(6) 0.950 no . .
C(7) H(7) 0.950 no . .
C(8) H(8) 0.950 no . .
C(12) H(12) 0.950 no . .
C(13) H(13) 0.950 no . .
C(14) H(14) 0.950 no . .
C(15) H(15) 0.950 no . .
C(16) H(16) 0.950 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_1
_geom_contact_site_symmetry_2
I(1) Te(1) 3.3608(11) ? . .
I(1) C(2) 2.936(11) ? . .
I(1) C(10) 3.149(10) ? . .
I(3) C(9) 3.569(9) ? . .
Te(1) I(1) 3.3608(11) ? . .
Te(1) C(8) 2.976(11) ? . .
Te(1) C(10) 3.206(9) ? . .
Te(1) C(12) 3.057(12) ? . .
Te(1) C(16) 3.105(12) ? . .
C(1) C(3) 2.413(15) ? . .
C(1) C(4) 2.762(15) ? . .
C(1) C(5) 2.421(16) ? . .
C(1) C(9) 2.577(17) ? . .
C(2) I(1) 2.936(11) ? . .
C(2) C(4) 2.349(18) ? . .
C(2) C(5) 2.756(18) ? . .
C(2) C(10) 2.426(18) ? . .
C(3) C(1) 2.413(15) ? . .
C(3) C(5) 2.411(18) ? . .
C(3) C(10) 2.832(16) ? . .
C(4) C(1) 2.762(15) ? . .
C(4) C(2) 2.349(18) ? . .
C(4) C(6) 2.444(18) ? . .
C(4) C(10) 2.446(14) ? . .
C(5) C(1) 2.421(16) ? . .
C(5) C(2) 2.756(18) ? . .
C(5) C(3) 2.411(18) ? . .
C(5) C(7) 2.430(16) ? . .
C(5) C(8) 2.784(15) ? . .
C(5) C(9) 2.434(13) ? . .
C(6) C(4) 2.444(18) ? . .
C(6) C(8) 2.358(15) ? . .
C(6) C(9) 2.752(14) ? . .
C(6) C(10) 2.466(15) ? . .
C(7) C(5) 2.430(16) ? . .
C(7) C(9) 2.406(15) ? . .
C(7) C(10) 2.859(15) ? . .
C(8) Te(1) 2.976(11) ? . .
C(8) C(5) 2.784(15) ? . .
C(8) C(6) 2.358(15) ? . .
C(8) C(10) 2.452(16) ? . .
C(8) C(11) 3.180(15) ? . .
C(8) C(16) 3.233(17) ? . .
C(9) I(3) 3.569(9) ? . .
C(9) C(1) 2.577(17) ? . .
C(9) C(5) 2.434(13) ? . .
C(9) C(6) 2.752(14) ? . .
C(9) C(7) 2.406(15) ? . .
C(9) C(11) 3.246(15) ? . .
C(9) C(16) 3.582(17) ? . .
C(10) I(1) 3.149(10) ? . .
C(10) Te(1) 3.206(9) ? . .
C(10) C(2) 2.426(18) ? . .
C(10) C(3) 2.832(16) ? . .
C(10) C(4) 2.446(14) ? . .
C(10) C(6) 2.466(15) ? . .
C(10) C(7) 2.859(15) ? . .
C(10) C(8) 2.452(16) ? . .
C(11) C(8) 3.180(15) ? . .
C(11) C(9) 3.246(15) ? . .
C(11) C(13) 2.377(15) ? . .
C(11) C(14) 2.756(17) ? . .
C(11) C(14) 3.549(15) ? . 2_765
C(11) C(15) 2.402(16) ? . .
C(12) Te(1) 3.057(12) ? . .
C(12) C(14) 2.381(18) ? . .
C(12) C(15) 2.785(15) ? . .
C(12) C(15) 3.578(15) ? . 2_765
C(12) C(16) 2.417(13) ? . .
C(13) C(11) 2.377(15) ? . .
C(13) C(15) 2.388(12) ? . .
C(13) C(15) 3.390(14) ? . 2_765
C(13) C(16) 2.744(14) ? . .
C(13) C(16) 3.563(15) ? . 2_765
C(14) C(11) 2.756(17) ? . .
C(14) C(11) 3.549(15) ? . 2_765
C(14) C(12) 2.381(18) ? . .
C(14) C(16) 2.385(17) ? . .
C(14) C(16) 3.577(16) ? . 2_765
C(15) C(11) 2.402(16) ? . .
C(15) C(12) 2.785(15) ? . .
C(15) C(12) 3.578(15) ? . 2_765
C(15) C(13) 2.388(12) ? . .
C(15) C(13) 3.390(14) ? . 2_765
C(16) Te(1) 3.105(12) ? . .
C(16) C(8) 3.233(17) ? . .
C(16) C(9) 3.582(17) ? . .
C(16) C(12) 2.417(13) ? . .
C(16) C(13) 2.744(14) ? . .
C(16) C(13) 3.563(15) ? . 2_765
C(16) C(14) 2.385(17) ? . .
C(16) C(14) 3.577(16) ? . 2_765
I(1) H(2) 2.893 ? . .
I(1) H(4) 3.510 ? . 2_756
I(1) H(7) 3.599 ? . 1_655
I(1) H(8) 3.554 ? . 1_655
I(1) H(12) 3.383 ? . 2_755
I(1) H(13) 3.403 ? . 2_755
I(2) H(3) 3.527 ? . 2_756
I(2) H(8) 3.562 ? . .
I(2) H(12) 3.100 ? . .
I(2) H(13) 3.291 ? . 2_655
I(2) H(14) 3.447 ? . 1_545
I(2) H(15) 3.241 ? . 1_545
I(3) H(6) 3.273 ? . 2_766
I(3) H(7) 3.309 ? . 1_655
I(3) H(8) 3.367 ? . 1_655
I(3) H(14) 3.284 ? . 2_765
I(3) H(16) 3.135 ? . .
Te(1) H(8) 2.929 ? . .
Te(1) H(12) 3.087 ? . .
Te(1) H(16) 3.154 ? . .
C(1) H(2) 2.021 ? . .
C(1) H(3) 3.268 ? . .
C(1) H(7) 3.225 ? . 1_655
C(2) H(2) 3.128 ? . 2_856
C(2) H(3) 2.027 ? . .
C(2) H(4) 3.206 ? . .
C(2) H(7) 3.169 ? . 1_655
C(3) H(2) 2.007 ? . .
C(3) H(4) 2.005 ? . .
C(3) H(15) 3.355 ? . 2_766
C(4) H(2) 3.204 ? . .
C(4) H(3) 2.022 ? . .
C(4) H(6) 2.611 ? . .
C(4) H(15) 3.051 ? . 2_766
C(4) H(16) 3.108 ? . 2_766
C(5) H(3) 3.268 ? . .
C(5) H(4) 2.030 ? . .
C(5) H(6) 2.055 ? . .
C(5) H(7) 3.288 ? . .
C(6) H(2) 3.338 ? . 1_455
C(6) H(4) 2.605 ? . .
C(6) H(7) 2.005 ? . .
C(6) H(8) 3.211 ? . .
C(6) H(16) 3.440 ? . 2_766
C(7) H(2) 3.255 ? . 1_455
C(7) H(6) 1.983 ? . .
C(7) H(8) 2.039 ? . .
C(8) H(6) 3.215 ? . .
C(8) H(7) 2.055 ? . .
C(8) H(16) 2.916 ? . .
C(9) H(7) 3.259 ? . .
C(9) H(8) 1.998 ? . .
C(9) H(16) 3.209 ? . .
C(10) H(2) 3.276 ? . .
C(10) H(4) 3.299 ? . .
C(10) H(6) 3.316 ? . .
C(10) H(8) 3.303 ? . .
C(11) H(8) 2.579 ? . .
C(11) H(12) 2.058 ? . .
C(11) H(13) 3.236 ? . .
C(11) H(14) 3.330 ? . 2_765
C(11) H(15) 3.263 ? . .
C(11) H(16) 2.038 ? . .
C(12) H(8) 3.512 ? . .
C(12) H(13) 2.001 ? . .
C(12) H(14) 3.232 ? . .
C(12) H(15) 3.566 ? . 2_765
C(12) H(16) 3.275 ? . .
C(13) H(12) 2.018 ? . .
C(13) H(14) 2.012 ? . .
C(13) H(14) 3.548 ? . 2_665
C(13) H(15) 3.246 ? . .
C(13) H(15) 3.572 ? . 2_765
C(14) H(12) 3.237 ? . .
C(14) H(13) 2.003 ? . .
C(14) H(14) 3.152 ? . 2_665
C(14) H(15) 2.047 ? . .
C(14) H(16) 3.246 ? . .
C(15) H(4) 2.879 ? . 2_766
C(15) H(13) 3.241 ? . .
C(15) H(13) 3.559 ? . 2_765
C(15) H(14) 2.041 ? . .
C(15) H(16) 2.022 ? . .
C(16) H(4) 2.916 ? . 2_766
C(16) H(8) 2.694 ? . .
C(16) H(12) 3.279 ? . .
C(16) H(13) 3.544 ? . 2_765
C(16) H(14) 3.244 ? . .
C(16) H(14) 3.549 ? . 2_765
C(16) H(15) 2.030 ? . .
H(2) I(1) 2.893 ? . .
H(2) C(1) 2.021 ? . .
H(2) C(2) 3.128 ? . 2_856
H(2) C(3) 2.007 ? . .
H(2) C(4) 3.204 ? . .
H(2) C(6) 3.338 ? . 1_655
H(2) C(7) 3.255 ? . 1_655
H(2) C(10) 3.276 ? . .
H(2) H(2) 2.215 ? . 2_856
H(2) H(3) 2.312 ? . .
H(2) H(6) 3.267 ? . 1_655
H(2) H(7) 3.069 ? . 1_655
H(3) I(2) 3.527 ? . 2_756
H(3) C(1) 3.268 ? . .
H(3) C(2) 2.027 ? . .
H(3) C(4) 2.022 ? . .
H(3) C(5) 3.268 ? . .
H(3) H(2) 2.312 ? . .
H(3) H(4) 2.311 ? . .
H(3) H(15) 2.930 ? . 2_766
H(4) I(1) 3.510 ? . 2_756
H(4) C(2) 3.206 ? . .
H(4) C(3) 2.005 ? . .
H(4) C(5) 2.030 ? . .
H(4) C(6) 2.605 ? . .
H(4) C(10) 3.299 ? . .
H(4) C(15) 2.879 ? . 2_766
H(4) C(16) 2.916 ? . 2_766
H(4) H(3) 2.311 ? . .
H(4) H(6) 2.414 ? . .
H(4) H(15) 2.279 ? . 2_766
H(4) H(16) 2.349 ? . 2_766
H(6) I(3) 3.273 ? . 2_766
H(6) C(4) 2.611 ? . .
H(6) C(5) 2.055 ? . .
H(6) C(7) 1.983 ? . .
H(6) C(8) 3.215 ? . .
H(6) C(10) 3.316 ? . .
H(6) H(2) 3.267 ? . 1_455
H(6) H(4) 2.414 ? . .
H(6) H(7) 2.287 ? . .
H(6) H(16) 2.753 ? . 2_766
H(7) I(1) 3.599 ? . 1_455
H(7) I(3) 3.309 ? . 1_455
H(7) C(1) 3.225 ? . 1_455
H(7) C(2) 3.169 ? . 1_455
H(7) C(5) 3.288 ? . .
H(7) C(6) 2.005 ? . .
H(7) C(8) 2.055 ? . .
H(7) C(9) 3.259 ? . .
H(7) H(2) 3.069 ? . 1_455
H(7) H(6) 2.287 ? . .
H(7) H(8) 2.349 ? . .
H(8) I(1) 3.554 ? . 1_455
H(8) I(2) 3.562 ? . .
H(8) I(3) 3.367 ? . 1_455
H(8) Te(1) 2.929 ? . .
H(8) C(6) 3.211 ? . .
H(8) C(7) 2.039 ? . .
H(8) C(9) 1.998 ? . .
H(8) C(10) 3.303 ? . .
H(8) C(11) 2.579 ? . .
H(8) C(12) 3.512 ? . .
H(8) C(16) 2.694 ? . .
H(8) H(7) 2.349 ? . .
H(8) H(16) 2.637 ? . .
H(12) I(1) 3.383 ? . 2_755
H(12) I(2) 3.100 ? . .
H(12) Te(1) 3.087 ? . .
H(12) C(11) 2.058 ? . .
H(12) C(13) 2.018 ? . .
H(12) C(14) 3.237 ? . .
H(12) C(16) 3.279 ? . .
H(12) H(13) 2.305 ? . .
H(13) I(1) 3.403 ? . 2_755
H(13) I(2) 3.291 ? . 2_655
H(13) C(11) 3.236 ? . .
H(13) C(12) 2.001 ? . .
H(13) C(14) 2.003 ? . .
H(13) C(15) 3.241 ? . .
H(13) C(15) 3.559 ? . 2_765
H(13) C(16) 3.544 ? . 2_765
H(13) H(12) 2.305 ? . .
H(13) H(14) 2.296 ? . .
H(13) H(14) 3.508 ? . 2_665
H(13) H(16) 3.560 ? . 2_765
H(14) I(2) 3.447 ? . 1_565
H(14) I(3) 3.284 ? . 2_765
H(14) C(11) 3.330 ? . 2_765
H(14) C(12) 3.232 ? . .
H(14) C(13) 2.012 ? . .
H(14) C(13) 3.548 ? . 2_665
H(14) C(14) 3.152 ? . 2_665
H(14) C(15) 2.041 ? . .
H(14) C(16) 3.244 ? . .
H(14) C(16) 3.549 ? . 2_765
H(14) H(13) 2.296 ? . .
H(14) H(13) 3.508 ? . 2_665
H(14) H(14) 2.829 ? . 2_665
H(14) H(15) 2.350 ? . .
H(15) I(2) 3.241 ? . 1_565
H(15) C(3) 3.355 ? . 2_766
H(15) C(4) 3.051 ? . 2_766
H(15) C(11) 3.263 ? . .
H(15) C(12) 3.566 ? . 2_765
H(15) C(13) 3.246 ? . .
H(15) C(13) 3.572 ? . 2_765
H(15) C(14) 2.047 ? . .
H(15) C(16) 2.030 ? . .
H(15) H(3) 2.930 ? . 2_766
H(15) H(4) 2.279 ? . 2_766
H(15) H(14) 2.350 ? . .
H(15) H(16) 2.329 ? . .
H(16) I(3) 3.135 ? . .
H(16) Te(1) 3.154 ? . .
H(16) C(4) 3.108 ? . 2_766
H(16) C(6) 3.440 ? . 2_766
H(16) C(8) 2.916 ? . .
H(16) C(9) 3.209 ? . .
H(16) C(11) 2.038 ? . .
H(16) C(12) 3.275 ? . .
H(16) C(14) 3.246 ? . .
H(16) C(15) 2.022 ? . .
H(16) H(4) 2.349 ? . 2_766
H(16) H(6) 2.753 ? . 2_766
H(16) H(8) 2.637 ? . .
H(16) H(13) 3.560 ? . 2_765
H(16) H(15) 2.329 ? . .
I(1) Te(1) 3.3608(11) ? . .
I(2) Te(1) 2.9480(7) ? . .
I(3) Te(1) 2.9042(7) ? . .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
I(2) Te(1) C(9) C(8) -71.6(7) ? . . . .
I(2) Te(1) C(9) C(10) 112.2(7) ? . . . .
I(2) Te(1) C(11) C(12) -46.3(7) ? . . . .
I(2) Te(1) C(11) C(16) 139.3(8) ? . . . .
I(3) Te(1) C(9) C(8) 109.8(7) ? . . . .
I(3) Te(1) C(9) C(10) -66.4(7) ? . . . .
I(3) Te(1) C(11) C(12) 135.8(7) ? . . . .
I(3) Te(1) C(11) C(16) -38.6(8) ? . . . .
C(9) Te(1) C(11) C(12) -135.7(8) ? . . . .
C(9) Te(1) C(11) C(16) 49.9(8) ? . . . .
C(11) Te(1) C(9) C(8) 18.8(7) ? . . . .
C(11) Te(1) C(9) C(10) -157.3(7) ? . . . .
I(1) C(1) C(2) C(3) -172.4(9) ? . . . .
I(1) C(1) C(10) C(5) 169.6(7) ? . . . .
I(1) C(1) C(10) C(9) -8.2(15) ? . . . .
C(2) C(1) C(10) C(5) -7.2(15) ? . . . .
C(2) C(1) C(10) C(9) 175.0(10) ? . . . .
C(10) C(1) C(2) C(3) 4.8(18) ? . . . .
C(1) C(2) C(3) C(4) 0.2(14) ? . . . .
C(2) C(3) C(4) C(5) -2.3(17) ? . . . .
C(3) C(4) C(5) C(6) 179.9(8) ? . . . .
C(3) C(4) C(5) C(10) -0.5(14) ? . . . .
C(4) C(5) C(6) C(7) -177.4(10) ? . . . .
C(4) C(5) C(10) C(1) 5.2(14) ? . . . .
C(4) C(5) C(10) C(9) -176.8(9) ? . . . .
C(6) C(5) C(10) C(1) -175.2(9) ? . . . .
C(6) C(5) C(10) C(9) 2.8(13) ? . . . .
C(10) C(5) C(6) C(7) 3.1(15) ? . . . .
C(5) C(6) C(7) C(8) -5.0(16) ? . . . .
C(6) C(7) C(8) C(9) 0.9(15) ? . . . .
C(7) C(8) C(9) Te(1) -171.0(8) ? . . . .
C(7) C(8) C(9) C(10) 5.3(15) ? . . . .
Te(1) C(9) C(10) C(1) -13.2(14) ? . . . .
Te(1) C(9) C(10) C(5) 169.0(6) ? . . . .
C(8) C(9) C(10) C(1) 170.9(10) ? . . . .
C(8) C(9) C(10) C(5) -6.9(13) ? . . . .
Te(1) C(11) C(12) C(13) -173.5(8) ? . . . .
Te(1) C(11) C(16) C(15) 174.3(8) ? . . . .
C(12) C(11) C(16) C(15) -0.1(13) ? . . . .
C(16) C(11) C(12) C(13) 1.1(15) ? . . . .
C(11) C(12) C(13) C(14) -0.2(13) ? . . . .
C(12) C(13) C(14) C(15) -1.7(16) ? . . . .
C(13) C(14) C(15) C(16) 2.6(15) ? . . . .
C(14) C(15) C(16) C(11) -1.7(16) ? . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30661022
