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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000990.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000990
loop_
_publ_author_name
'Zukerman-Schpector, J.'
'Dabdoub, M. J.'
'Dabdoub, V. B.'
'Pereira, M. A.'
_publ_section_title
;
 Structure of 3-iodo-2,5-diphenyltellurophene, C₁₆H₁₁ITe
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              767
_journal_page_last               768
_journal_paper_doi               10.1107/S0108270191011484
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H11 I Te'
_chemical_formula_weight         457.74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.5880(10)
_cell_length_b                   24.280(3)
_cell_length_c                   13.992(2)
_cell_volume                     2917.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    41.18
_exptl_crystal_density_diffrn    2.084
_exptl_crystal_F_000             1696
_cod_data_source_file            li0110.cif
_cod_data_source_block           li0110a
_cod_original_cell_volume        2918.0(10)
_cod_original_sg_symbol_H-M      'P  b c a'
_cod_original_formula_sum        'C16 H11 I1 Te1'
_cod_database_code               2000990
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te .15250(10) .43970(10) .54010(10)
I .42540(10) .42450(10) .23450(10)
C(2) .2600(10) .4648(4) .4145(6)
C(3) .3050(10) .4203(4) .3656(6)
C(4) .2840(10) .3655(4) .4050(7)
C(5) .2130(10) .3622(4) .4908(6)
C(6) .2810(10) .5239(4) .3946(6)
C(7) .349(2) .5575(5) .4636(8)
C(8) .371(2) .6136(5) .4466(9)
C(9) .321(2) .6353(4) .3610(10)
C(10) .252(2) .6033(5) .2934(8)
C(11) .2320(10) .5478(4) .3098(7)
C(12) .1940(10) .3115(4) .5493(7)
C(13) .2940(10) .2681(5) .5410(7)
C(14) .283(2) .2225(5) .5983(9)
C(15) .161(2) .2180(5) .6641(9)
C(16) .060(2) .2609(5) .6738(8)
C(17) .075(2) .3089(4) .6173(7)
H(C4) .3198 .3328 .3712
H(C7) .3898 .5397 .5311
H(C8) .4208 .6397 .5026
H(C9) .3320 .6807 .3500
H(C10) .2121 .6216 .2260
H(C11) .1811 .5216 .2544
H(C13) .3908 .2707 .4873
H(C14) .3642 .1875 .5882
H(C15) .1525 .1816 .7079
H(C16) -.0326 .2590 .7266
H(C17) -.0060 .3422 .6258
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Te C(2) 2.077(9)
I C(3) 2.108(9)
C(2) C(6) 1.470(10)
C(4) C(5) 1.350(10)
C(6) C(7) 1.390(10)
C(7) C(8) 1.40(2)
C(9) C(10) 1.36(2)
C(12) C(13) 1.36(2)
C(13) C(14) 1.37(2)
C(15) C(16) 1.36(2)
Te C(5) 2.070(9)
C(2) C(3) 1.340(10)
C(3) C(4) 1.450(10)
C(5) C(12) 1.490(10)
C(6) C(11) 1.390(10)
C(8) C(9) 1.38(2)
C(10) C(11) 1.38(2)
C(12) C(17) 1.40(2)
C(14) C(15) 1.40(2)
C(16) C(17) 1.41(2)
