#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008917.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_2008917
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1577
_journal_page_last  1579
_publ_section_title
;
Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)
;
loop_
_publ_author_name
  'Zukerman-Schpector, J.'
  'Camillo, Robinson L.'
  'Comasseto, Jo\~ao V.'
  'Santos, Rute A.'
  'Caracelli, I.'
_chemical_formula_moiety  'C14 H10 Cl4 Te1'
_chemical_formula_sum  'C14 H10 Cl4 Te1'
_chemical_formula_iupac  '[Te (C14 H10 Cl) Cl3]'
_chemical_formula_weight  447.62
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P c a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z+1/2'
  '-x+1/2, y, z+1/2'
  'x+1/2, -y, z'
_cell_length_a  21.031(3)
_cell_length_b  8.2010(8)
_cell_length_c  9.2150(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1589.4(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.871
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Te 0.38710(2) 0.07239(6) 0.41638(12) 0.04740(16) Uani d . 1 . . Te
  Cl1 0.3898(2) 0.1185(4) 0.6810(4) 0.0731(11) Uani d . 1 . . Cl
  Cl2 0.3872(3) 0.0560(4) 0.1494(5) 0.0859(15) Uani d . 1 . . Cl
  Cl3 0.49228(9) 0.1393(3) 0.4106(7) 0.0726(7) Uani d . 1 . . Cl
  Cl4 0.24660(10) 0.1327(2) 0.4130(8) 0.0748(7) Uani d . 1 . . Cl
  C1 0.3496(3) 0.3130(8) 0.3983(18) 0.038(3) Uani d . 1 . . C
  C2 0.2875(4) 0.3192(10) 0.3945(16) 0.048(3) Uani d . 1 . . C
  C3 0.3940(2) 0.4498(6) 0.4043(9) 0.0402(18) Uani d G 1 . . C
  C4 0.3985(3) 0.5406(7) 0.5313(8) 0.049(2) Uani d G 1 . . C
  H4 0.3718 0.5178 0.6091 0.059 Uiso calc R 1 . . H
  C5 0.4430(3) 0.6655(7) 0.5419(9) 0.059(3) Uani d G 1 . . C
  H5 0.4460 0.7263 0.6268 0.071 Uiso calc R 1 . . H
  C6 0.4829(2) 0.6997(6) 0.4255(10) 0.069(3) Uani d G 1 . . C
  H6 0.5126 0.7833 0.4326 0.083 Uiso calc R 1 . . H
  C7 0.4783(2) 0.6089(8) 0.2986(9) 0.065(3) Uani d G 1 . . C
  H7 0.5050 0.6317 0.2207 0.078 Uiso calc R 1 . . H
  C8 0.4339(3) 0.4839(7) 0.2880(8) 0.051(2) Uani d G 1 . . C
  H8 0.4309 0.4232 0.2030 0.062 Uiso calc R 1 . . H
  C9 0.2447(2) 0.4624(5) 0.3787(7) 0.051(4) Uani d G 1 . . C
  C10 0.1859(3) 0.4656(6) 0.4477(7) 0.055(3) Uani d G 1 . . C
  H10 0.1722 0.3756 0.5006 0.066 Uiso calc R 1 . . H
  C11 0.1475(2) 0.6031(8) 0.4375(8) 0.064(3) Uani d G 1 . . C
  H11 0.1082 0.6052 0.4837 0.077 Uiso calc R 1 . . H
  C12 0.1680(3) 0.7376(6) 0.3584(8) 0.063(3) Uani d G 1 . . C
  H12 0.1423 0.8296 0.3516 0.075 Uiso calc R 1 . . H
  C13 0.2267(3) 0.7345(5) 0.2894(7) 0.064(3) Uani d G 1 . . C
  H13 0.2404 0.8244 0.2364 0.077 Uiso calc R 1 . . H
  C14 0.2651(2) 0.5969(7) 0.2995(7) 0.055(3) Uani d G 1 . . C
  H14 0.3044 0.5948 0.2533 0.066 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Te 0.0443(2) 0.0321(2) 0.0658(3) 0.0021(2) -0.0027(10) 0.0006(5)
  Cl1 0.090(3) 0.0688(19) 0.061(2) -0.016(2) -0.006(2) 0.012(2)
  Cl2 0.104(3) 0.081(3) 0.073(3) 0.019(2) -0.010(3) -0.020(2)
  Cl3 0.0498(11) 0.0640(12) 0.104(2) 0.0079(10) 0.011(3) 0.023(3)
  Cl4 0.0456(9) 0.0423(9) 0.136(2) -0.0076(9) 0.004(4) -0.010(4)
  C1 0.041(4) 0.027(4) 0.045(8) 0.007(3) -0.001(6) 0.004(5)
  C2 0.048(4) 0.043(5) 0.052(10) -0.005(3) -0.014(6) -0.002(5)
  C3 0.045(4) 0.030(4) 0.046(5) 0.004(3) 0.009(7) 0.016(6)
  C4 0.048(6) 0.045(6) 0.055(6) 0.004(4) -0.004(5) 0.001(5)
  C5 0.061(6) 0.044(6) 0.073(8) -0.006(5) -0.023(7) -0.004(6)
  C6 0.056(5) 0.031(4) 0.120(9) -0.006(4) -0.029(14) -0.008(12)
  C7 0.045(6) 0.055(7) 0.095(9) -0.006(4) 0.008(6) 0.020(7)
  C8 0.053(6) 0.045(5) 0.056(6) -0.008(5) 0.001(6) 0.006(5)
  C9 0.043(4) 0.040(5) 0.071(11) 0.005(4) 0.000(4) -0.007(4)
  C10 0.057(5) 0.061(6) 0.048(9) 0.005(4) 0.008(5) 0.008(5)
  C11 0.059(5) 0.079(7) 0.055(7) 0.029(5) 0.007(7) -0.008(7)
  C12 0.056(6) 0.054(6) 0.078(8) 0.026(5) -0.007(5) -0.003(6)
  C13 0.070(7) 0.038(5) 0.085(8) 0.004(5) -0.021(6) 0.001(6)
  C14 0.056(6) 0.040(5) 0.069(7) 0.005(4) -0.003(5) -0.005(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Te C1 2.132(7) yes
  Te Cl3 2.280(2) yes
  Te Cl2 2.463(5) yes
  Te Cl1 2.469(5) yes
  Cl4 C2 1.763(8) yes
  C1 C2 1.307(10) yes
  C1 C3 1.462(8) no
  C2 C9 1.488(9) no
  C3 C4 1.3900 no
  C3 C8 1.3900 no
  C4 C5 1.3900 no
  C5 C6 1.3900 no
  C6 C7 1.3900 no
  C7 C8 1.3900 no
  C9 C10 1.3900 no
  C9 C14 1.3900 no
  C10 C11 1.3900 no
  C11 C12 1.3900 no
  C12 C13 1.3900 no
  C13 C14 1.3900 no