The structure described by C4SBr4 is Indium-like structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two tetrabromothiophene molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(4), one S(1), and one Br(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(4), and one Br(1) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one S(1), and one Br(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Br(3) atom. S(1) is bonded in an L-shaped geometry to one C(1) and one C(3) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one C(2) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one C(3) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_C4SBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.413
_cell_length_b   9.032
_cell_length_c   12.782
_cell_angle_alpha   108.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.016
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.334  0.075  0.705  1.0
  C  C1  1  0.666  0.575  0.205  1.0
  C  C2  1  0.191  0.987  0.852  1.0
  C  C3  1  0.809  0.487  0.352  1.0
  C  C4  1  0.322  0.854  0.781  1.0
  C  C5  1  0.678  0.354  0.281  1.0
  C  C6  1  0.199  0.115  0.807  1.0
  C  C7  1  0.801  0.615  0.307  1.0
  S  S8  1  0.454  0.883  0.663  1.0
  S  S9  1  0.546  0.383  0.163  1.0
  Br  Br10  1  0.034  0.001  0.991  1.0
  Br  Br11  1  0.966  0.501  0.491  1.0
  Br  Br12  1  0.367  0.657  0.800  1.0
  Br  Br13  1  0.633  0.157  0.300  1.0
  Br  Br14  1  0.052  0.315  0.883  1.0
  Br  Br15  1  0.948  0.815  0.383  1.0
  Br  Br16  1  0.409  0.198  0.614  1.0
  Br  Br17  1  0.591  0.698  0.114  1.0
[/CIF]
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The structure described by C4SBr4 is Indium-like structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two tetrabromothiophene molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(4), one S(1), and one Br(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(4), and one Br(1) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one S(1), and one Br(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Br(3) atom. S(1) is bonded in an L-shaped geometry to one C(1) and one C(3) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one C(2) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one C(3) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_C4SBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.413
_cell_length_b   9.032
_cell_length_c   12.782
_cell_angle_alpha   108.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.016
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.334  0.075  0.705  1.0
  C  C1  1  0.666  0.575  0.205  1.0
  C  C2  1  0.191  0.987  0.852  1.0
  C  C3  1  0.809  0.487  0.352  1.0
  C  C4  1  0.322  0.854  0.781  1.0
  C  C5  1  0.678  0.354  0.281  1.0
  C  C6  1  0.199  0.115  0.807  1.0
  C  C7  1  0.801  0.615  0.307  1.0
  S  S8  1  0.454  0.883  0.663  1.0
  S  S9  1  0.546  0.383  0.163  1.0
  Br  Br10  1  0.034  0.001  0.991  1.0
  Br  Br11  1  0.966  0.501  0.491  1.0
  Br  Br12  1  0.367  0.657  0.800  1.0
  Br  Br13  1  0.633  0.157  0.300  1.0
  Br  Br14  1  0.052  0.315  0.883  1.0
  Br  Br15  1  0.948  0.815  0.383  1.0
  Br  Br16  1  0.409  0.198  0.614  1.0
  Br  Br17  1  0.591  0.698  0.114  1.0
[/CIF]
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