The structure described by S is alpha-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane molecules. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one S(3) and one S(4) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent S(4) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent S(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to one S(1) and one S(2) atom. is represented by the CIF card [CIF]
data_S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.811
_cell_length_b   9.269
_cell_length_c   14.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.804
_cell_formula_units_Z   24
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
  S  S0  1  0.008  0.312  0.888  1.0
  S  S1  1  0.500  0.500  0.276  1.0
  S  S2  1  0.226  0.731  0.000  1.0
  S  S3  1  0.992  0.688  0.112  1.0
  S  S4  1  0.767  0.869  0.858  1.0
  S  S5  1  0.492  0.812  0.612  1.0
  S  S6  1  0.267  0.631  0.642  1.0
  S  S7  1  0.500  0.500  0.724  1.0
  S  S8  1  0.508  0.188  0.388  1.0
  S  S9  1  0.492  0.812  0.388  1.0
  S  S10  1  0.267  0.631  0.358  1.0
  S  S11  1  0.733  0.369  0.358  1.0
  S  S12  1  0.274  0.231  0.500  1.0
  S  S13  1  0.000  0.000  0.224  1.0
  S  S14  1  0.000  0.000  0.776  1.0
  S  S15  1  0.233  0.131  0.142  1.0
  S  S16  1  0.508  0.188  0.612  1.0
  S  S17  1  0.992  0.688  0.888  1.0
  S  S18  1  0.233  0.131  0.858  1.0
  S  S19  1  0.733  0.369  0.642  1.0
  S  S20  1  0.726  0.769  0.500  1.0
  S  S21  1  0.767  0.869  0.142  1.0
  S  S22  1  0.008  0.312  0.112  1.0
  S  S23  1  0.774  0.269  0.000  1.0
[/CIF]
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The structure described by S is alpha-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane molecules. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one S(3) and one S(4) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent S(4) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent S(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to one S(1) and one S(2) atom. is represented by the CIF card [CIF]
data_S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.811
_cell_length_b   9.269
_cell_length_c   14.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.804
_cell_formula_units_Z   24
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
  S  S0  1  0.008  0.312  0.888  1.0
  S  S1  1  0.500  0.500  0.276  1.0
  S  S2  1  0.226  0.731  0.000  1.0
  S  S3  1  0.992  0.688  0.112  1.0
  S  S4  1  0.767  0.869  0.858  1.0
  S  S5  1  0.492  0.812  0.612  1.0
  S  S6  1  0.267  0.631  0.642  1.0
  S  S7  1  0.500  0.500  0.724  1.0
  S  S8  1  0.508  0.188  0.388  1.0
  S  S9  1  0.492  0.812  0.388  1.0
  S  S10  1  0.267  0.631  0.358  1.0
  S  S11  1  0.733  0.369  0.358  1.0
  S  S12  1  0.274  0.231  0.500  1.0
  S  S13  1  0.000  0.000  0.224  1.0
  S  S14  1  0.000  0.000  0.776  1.0
  S  S15  1  0.233  0.131  0.142  1.0
  S  S16  1  0.508  0.188  0.612  1.0
  S  S17  1  0.992  0.688  0.888  1.0
  S  S18  1  0.233  0.131  0.858  1.0
  S  S19  1  0.733  0.369  0.642  1.0
  S  S20  1  0.726  0.769  0.500  1.0
  S  S21  1  0.767  0.869  0.142  1.0
  S  S22  1  0.008  0.312  0.112  1.0
  S  S23  1  0.774  0.269  0.000  1.0
[/CIF]
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