The material described by HgSO3CH3 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 02329_fluka molecules and eight HgSO3 clusters. In each HgSO3 cluster, Hg(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_HgH3CSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   9.004
_cell_angle_alpha   61.230
_cell_angle_beta   61.230
_cell_angle_gamma   62.456
_symmetry_Int_Tables_number   1
_cell_volume   489.443
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.772  0.436  0.684  1.0
  Hg  Hg1  1  0.564  0.228  0.816  1.0
  Hg  Hg2  1  0.228  0.564  0.316  1.0
  Hg  Hg3  1  0.436  0.772  0.184  1.0
  H  H4  1  0.140  0.770  0.644  1.0
  H  H5  1  0.230  0.860  0.856  1.0
  H  H6  1  0.860  0.230  0.356  1.0
  H  H7  1  0.770  0.140  0.144  1.0
  H  H8  1  0.127  0.540  0.794  1.0
  H  H9  1  0.460  0.873  0.706  1.0
  H  H10  1  0.873  0.460  0.206  1.0
  H  H11  1  0.540  0.127  0.294  1.0
  H  H12  1  0.011  0.728  0.883  1.0
  H  H13  1  0.272  0.989  0.617  1.0
  H  H14  1  0.989  0.272  0.117  1.0
  H  H15  1  0.728  0.011  0.383  1.0
  C  C16  1  0.054  0.689  0.767  1.0
  C  C17  1  0.311  0.946  0.733  1.0
  C  C18  1  0.946  0.311  0.233  1.0
  C  C19  1  0.689  0.054  0.267  1.0
  S  S20  1  0.849  0.738  0.731  1.0
  S  S21  1  0.262  0.151  0.769  1.0
  S  S22  1  0.151  0.262  0.269  1.0
  S  S23  1  0.738  0.849  0.231  1.0
  O  O24  1  0.776  0.940  0.655  1.0
  O  O25  1  0.060  0.224  0.845  1.0
  O  O26  1  0.224  0.060  0.345  1.0
  O  O27  1  0.940  0.776  0.155  1.0
  O  O28  1  0.722  0.648  0.899  1.0
  O  O29  1  0.352  0.278  0.601  1.0
  O  O30  1  0.278  0.352  0.101  1.0
  O  O31  1  0.648  0.722  0.399  1.0
  O  O32  1  0.911  0.648  0.592  1.0
  O  O33  1  0.352  0.089  0.908  1.0
  O  O34  1  0.089  0.352  0.408  1.0
  O  O35  1  0.648  0.911  0.092  1.0
[/CIF]
.
The material described by HgSO3CH3 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 02329_fluka molecules and eight HgSO3 clusters. In each HgSO3 cluster, Hg(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_HgH3CSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   9.004
_cell_angle_alpha   61.230
_cell_angle_beta   61.230
_cell_angle_gamma   62.456
_symmetry_Int_Tables_number   1
_cell_volume   489.443
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.772  0.436  0.684  1.0
  Hg  Hg1  1  0.564  0.228  0.816  1.0
  Hg  Hg2  1  0.228  0.564  0.316  1.0
  Hg  Hg3  1  0.436  0.772  0.184  1.0
  H  H4  1  0.140  0.770  0.644  1.0
  H  H5  1  0.230  0.860  0.856  1.0
  H  H6  1  0.860  0.230  0.356  1.0
  H  H7  1  0.770  0.140  0.144  1.0
  H  H8  1  0.127  0.540  0.794  1.0
  H  H9  1  0.460  0.873  0.706  1.0
  H  H10  1  0.873  0.460  0.206  1.0
  H  H11  1  0.540  0.127  0.294  1.0
  H  H12  1  0.011  0.728  0.883  1.0
  H  H13  1  0.272  0.989  0.617  1.0
  H  H14  1  0.989  0.272  0.117  1.0
  H  H15  1  0.728  0.011  0.383  1.0
  C  C16  1  0.054  0.689  0.767  1.0
  C  C17  1  0.311  0.946  0.733  1.0
  C  C18  1  0.946  0.311  0.233  1.0
  C  C19  1  0.689  0.054  0.267  1.0
  S  S20  1  0.849  0.738  0.731  1.0
  S  S21  1  0.262  0.151  0.769  1.0
  S  S22  1  0.151  0.262  0.269  1.0
  S  S23  1  0.738  0.849  0.231  1.0
  O  O24  1  0.776  0.940  0.655  1.0
  O  O25  1  0.060  0.224  0.845  1.0
  O  O26  1  0.224  0.060  0.345  1.0
  O  O27  1  0.940  0.776  0.155  1.0
  O  O28  1  0.722  0.648  0.899  1.0
  O  O29  1  0.352  0.278  0.601  1.0
  O  O30  1  0.278  0.352  0.101  1.0
  O  O31  1  0.648  0.722  0.399  1.0
  O  O32  1  0.911  0.648  0.592  1.0
  O  O33  1  0.352  0.089  0.908  1.0
  O  O34  1  0.089  0.352  0.408  1.0
  O  O35  1  0.648  0.911  0.092  1.0
[/CIF]
.