The material described by C2S7Cl6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two (c cl3)2 s7 molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a tetrahedral geometry to one S(4), one Cl(1), one Cl(2), and one Cl(3) atom. In the second C site, C(2) is bonded in a tetrahedral geometry to one S(6), one Cl(4), one Cl(5), and one Cl(6) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one S(3) and one S(5) atom. In the second S site, S(2) is bonded in a water-like geometry to one S(3) and one S(7) atom. In the third S site, S(3) is bonded in a water-like geometry to one S(1) and one S(2) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to one C(1) and one S(7) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one S(1) and one S(6) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one C(2) and one S(5) atom. In the seventh S site, S(7) is bonded in a water-like geometry to one S(2) and one S(4) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C2S7Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.202
_cell_length_b   11.661
_cell_length_c   13.426
_cell_angle_alpha   101.160
_cell_angle_beta   94.947
_cell_angle_gamma   94.123
_symmetry_Int_Tables_number   1
_cell_volume   945.227
_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  0.997  0.460  0.185  1.0
  C  C1  1  0.562  0.047  0.821  1.0
  C  C2  1  0.438  0.953  0.179  1.0
  C  C3  1  0.003  0.540  0.815  1.0
  S  S4  1  0.775  0.773  0.371  1.0
  S  S5  1  0.155  0.237  0.379  1.0
  S  S6  1  0.639  0.713  0.488  1.0
  S  S7  1  0.361  0.287  0.512  1.0
  S  S8  1  0.930  0.502  0.675  1.0
  S  S9  1  0.225  0.227  0.629  1.0
  S  S10  1  0.708  0.947  0.382  1.0
  S  S11  1  0.292  0.053  0.618  1.0
  S  S12  1  0.403  0.949  0.314  1.0
  S  S13  1  0.597  0.051  0.686  1.0
  S  S14  1  0.932  0.362  0.378  1.0
  S  S15  1  0.068  0.638  0.622  1.0
  S  S16  1  0.070  0.498  0.325  1.0
  S  S17  1  0.845  0.763  0.621  1.0
  Cl  Cl18  1  0.104  0.329  0.127  1.0
  Cl  Cl19  1  0.122  0.583  0.144  1.0
  Cl  Cl20  1  0.288  0.553  0.848  1.0
  Cl  Cl21  1  0.712  0.447  0.152  1.0
  Cl  Cl22  1  0.878  0.417  0.856  1.0
  Cl  Cl23  1  0.896  0.671  0.873  1.0
  Cl  Cl24  1  0.550  0.825  0.116  1.0
  Cl  Cl25  1  0.450  0.175  0.884  1.0
  Cl  Cl26  1  0.602  0.079  0.166  1.0
  Cl  Cl27  1  0.398  0.921  0.834  1.0
  Cl  Cl28  1  0.166  0.957  0.126  1.0
  Cl  Cl29  1  0.834  0.043  0.874  1.0
[/CIF]
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The material described by C2S7Cl6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two (c cl3)2 s7 molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a tetrahedral geometry to one S(4), one Cl(1), one Cl(2), and one Cl(3) atom. In the second C site, C(2) is bonded in a tetrahedral geometry to one S(6), one Cl(4), one Cl(5), and one Cl(6) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one S(3) and one S(5) atom. In the second S site, S(2) is bonded in a water-like geometry to one S(3) and one S(7) atom. In the third S site, S(3) is bonded in a water-like geometry to one S(1) and one S(2) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to one C(1) and one S(7) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one S(1) and one S(6) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one C(2) and one S(5) atom. In the seventh S site, S(7) is bonded in a water-like geometry to one S(2) and one S(4) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C2S7Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.202
_cell_length_b   11.661
_cell_length_c   13.426
_cell_angle_alpha   101.160
_cell_angle_beta   94.947
_cell_angle_gamma   94.123
_symmetry_Int_Tables_number   1
_cell_volume   945.227
_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  0.997  0.460  0.185  1.0
  C  C1  1  0.562  0.047  0.821  1.0
  C  C2  1  0.438  0.953  0.179  1.0
  C  C3  1  0.003  0.540  0.815  1.0
  S  S4  1  0.775  0.773  0.371  1.0
  S  S5  1  0.155  0.237  0.379  1.0
  S  S6  1  0.639  0.713  0.488  1.0
  S  S7  1  0.361  0.287  0.512  1.0
  S  S8  1  0.930  0.502  0.675  1.0
  S  S9  1  0.225  0.227  0.629  1.0
  S  S10  1  0.708  0.947  0.382  1.0
  S  S11  1  0.292  0.053  0.618  1.0
  S  S12  1  0.403  0.949  0.314  1.0
  S  S13  1  0.597  0.051  0.686  1.0
  S  S14  1  0.932  0.362  0.378  1.0
  S  S15  1  0.068  0.638  0.622  1.0
  S  S16  1  0.070  0.498  0.325  1.0
  S  S17  1  0.845  0.763  0.621  1.0
  Cl  Cl18  1  0.104  0.329  0.127  1.0
  Cl  Cl19  1  0.122  0.583  0.144  1.0
  Cl  Cl20  1  0.288  0.553  0.848  1.0
  Cl  Cl21  1  0.712  0.447  0.152  1.0
  Cl  Cl22  1  0.878  0.417  0.856  1.0
  Cl  Cl23  1  0.896  0.671  0.873  1.0
  Cl  Cl24  1  0.550  0.825  0.116  1.0
  Cl  Cl25  1  0.450  0.175  0.884  1.0
  Cl  Cl26  1  0.602  0.079  0.166  1.0
  Cl  Cl27  1  0.398  0.921  0.834  1.0
  Cl  Cl28  1  0.166  0.957  0.126  1.0
  Cl  Cl29  1  0.834  0.043  0.874  1.0
[/CIF]
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