The material structure described by ReO2Cl3CN2S is Modderite structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four n-cyanosulfimide molecules and four ReO2Cl3 clusters. In each ReO2Cl3 cluster, Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Re(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Re(1) atom. is represented by the CIF card [CIF]
data_ReCSN2Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.972
_cell_length_b   11.075
_cell_length_c   13.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1167.806
_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
  Re  Re0  1  0.819  0.673  0.758  1.0
  Re  Re1  1  0.181  0.327  0.258  1.0
  Re  Re2  1  0.819  0.827  0.258  1.0
  Re  Re3  1  0.181  0.173  0.758  1.0
  C  C4  1  0.698  0.437  0.482  1.0
  C  C5  1  0.302  0.563  0.982  1.0
  C  C6  1  0.698  0.063  0.982  1.0
  C  C7  1  0.302  0.937  0.482  1.0
  S  S8  1  0.494  0.450  0.646  1.0
  S  S9  1  0.506  0.550  0.146  1.0
  S  S10  1  0.494  0.050  0.146  1.0
  S  S11  1  0.506  0.950  0.646  1.0
  N  N12  1  0.762  0.446  0.401  1.0
  N  N13  1  0.238  0.554  0.901  1.0
  N  N14  1  0.762  0.054  0.901  1.0
  N  N15  1  0.238  0.946  0.401  1.0
  N  N16  1  0.636  0.426  0.570  1.0
  N  N17  1  0.364  0.574  0.070  1.0
  N  N18  1  0.636  0.074  0.070  1.0
  N  N19  1  0.364  0.926  0.570  1.0
  Cl  Cl20  1  0.003  0.793  0.844  1.0
  Cl  Cl21  1  0.997  0.207  0.344  1.0
  Cl  Cl22  1  0.003  0.707  0.344  1.0
  Cl  Cl23  1  0.997  0.293  0.844  1.0
  Cl  Cl24  1  0.608  0.778  0.843  1.0
  Cl  Cl25  1  0.392  0.222  0.343  1.0
  Cl  Cl26  1  0.608  0.722  0.343  1.0
  Cl  Cl27  1  0.392  0.278  0.843  1.0
  Cl  Cl28  1  0.051  0.587  0.680  1.0
  Cl  Cl29  1  0.949  0.413  0.180  1.0
  Cl  Cl30  1  0.051  0.913  0.180  1.0
  Cl  Cl31  1  0.949  0.087  0.680  1.0
  O  O32  1  0.750  0.537  0.805  1.0
  O  O33  1  0.250  0.463  0.305  1.0
  O  O34  1  0.750  0.963  0.305  1.0
  O  O35  1  0.250  0.037  0.805  1.0
  O  O36  1  0.732  0.711  0.643  1.0
  O  O37  1  0.268  0.289  0.143  1.0
  O  O38  1  0.732  0.789  0.143  1.0
  O  O39  1  0.268  0.211  0.643  1.0
[/CIF]
.
The material structure described by ReO2Cl3CN2S is Modderite structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four n-cyanosulfimide molecules and four ReO2Cl3 clusters. In each ReO2Cl3 cluster, Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Re(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Re(1) atom. is represented by the CIF card [CIF]
data_ReCSN2Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.972
_cell_length_b   11.075
_cell_length_c   13.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1167.806
_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
  Re  Re0  1  0.819  0.673  0.758  1.0
  Re  Re1  1  0.181  0.327  0.258  1.0
  Re  Re2  1  0.819  0.827  0.258  1.0
  Re  Re3  1  0.181  0.173  0.758  1.0
  C  C4  1  0.698  0.437  0.482  1.0
  C  C5  1  0.302  0.563  0.982  1.0
  C  C6  1  0.698  0.063  0.982  1.0
  C  C7  1  0.302  0.937  0.482  1.0
  S  S8  1  0.494  0.450  0.646  1.0
  S  S9  1  0.506  0.550  0.146  1.0
  S  S10  1  0.494  0.050  0.146  1.0
  S  S11  1  0.506  0.950  0.646  1.0
  N  N12  1  0.762  0.446  0.401  1.0
  N  N13  1  0.238  0.554  0.901  1.0
  N  N14  1  0.762  0.054  0.901  1.0
  N  N15  1  0.238  0.946  0.401  1.0
  N  N16  1  0.636  0.426  0.570  1.0
  N  N17  1  0.364  0.574  0.070  1.0
  N  N18  1  0.636  0.074  0.070  1.0
  N  N19  1  0.364  0.926  0.570  1.0
  Cl  Cl20  1  0.003  0.793  0.844  1.0
  Cl  Cl21  1  0.997  0.207  0.344  1.0
  Cl  Cl22  1  0.003  0.707  0.344  1.0
  Cl  Cl23  1  0.997  0.293  0.844  1.0
  Cl  Cl24  1  0.608  0.778  0.843  1.0
  Cl  Cl25  1  0.392  0.222  0.343  1.0
  Cl  Cl26  1  0.608  0.722  0.343  1.0
  Cl  Cl27  1  0.392  0.278  0.843  1.0
  Cl  Cl28  1  0.051  0.587  0.680  1.0
  Cl  Cl29  1  0.949  0.413  0.180  1.0
  Cl  Cl30  1  0.051  0.913  0.180  1.0
  Cl  Cl31  1  0.949  0.087  0.680  1.0
  O  O32  1  0.750  0.537  0.805  1.0
  O  O33  1  0.250  0.463  0.305  1.0
  O  O34  1  0.750  0.963  0.305  1.0
  O  O35  1  0.250  0.037  0.805  1.0
  O  O36  1  0.732  0.711  0.643  1.0
  O  O37  1  0.268  0.289  0.143  1.0
  O  O38  1  0.732  0.789  0.143  1.0
  O  O39  1  0.268  0.211  0.643  1.0
[/CIF]
.