The compound described by CoN5SOClSO3 is Iron Boride structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur trioxide molecules and four CoN5SOCl clusters. In each CoN5SOCl cluster, Co(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one Co(1) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Co(1) and one Cl(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Co(1), one N(3), and one S(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent N(3) and one O(3) atom. O(3) is bonded in a single-bond geometry to one S(1) atom. Cl(1) is bonded in an L-shaped geometry to two equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoS2N5ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.325
_cell_length_b   8.500
_cell_length_c   14.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1026.258
_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
  Co  Co0  1  0.250  0.174  0.670  1.0
  Co  Co1  1  0.250  0.326  0.170  1.0
  Co  Co2  1  0.750  0.826  0.330  1.0
  Co  Co3  1  0.750  0.674  0.830  1.0
  S  S4  1  0.250  0.527  0.639  1.0
  S  S5  1  0.250  0.973  0.139  1.0
  S  S6  1  0.750  0.473  0.361  1.0
  S  S7  1  0.750  0.027  0.861  1.0
  S  S8  1  0.250  0.513  0.898  1.0
  S  S9  1  0.250  0.987  0.398  1.0
  S  S10  1  0.750  0.487  0.102  1.0
  S  S11  1  0.750  0.013  0.602  1.0
  N  N12  1  0.250  0.015  0.619  1.0
  N  N13  1  0.250  0.485  0.119  1.0
  N  N14  1  0.750  0.985  0.381  1.0
  N  N15  1  0.750  0.515  0.881  1.0
  N  N16  1  0.387  0.177  0.767  1.0
  N  N17  1  0.113  0.323  0.267  1.0
  N  N18  1  0.887  0.823  0.233  1.0
  N  N19  1  0.613  0.677  0.733  1.0
  N  N20  1  0.613  0.823  0.233  1.0
  N  N21  1  0.887  0.677  0.733  1.0
  N  N22  1  0.113  0.177  0.767  1.0
  N  N23  1  0.387  0.323  0.267  1.0
  N  N24  1  0.170  0.344  0.590  1.0
  N  N25  1  0.330  0.156  0.090  1.0
  N  N26  1  0.670  0.656  0.410  1.0
  N  N27  1  0.830  0.844  0.910  1.0
  N  N28  1  0.830  0.656  0.410  1.0
  N  N29  1  0.670  0.844  0.910  1.0
  N  N30  1  0.330  0.344  0.590  1.0
  N  N31  1  0.170  0.156  0.090  1.0
  Cl  Cl32  1  0.750  0.581  0.658  1.0
  Cl  Cl33  1  0.750  0.919  0.158  1.0
  Cl  Cl34  1  0.250  0.419  0.342  1.0
  Cl  Cl35  1  0.250  0.081  0.842  1.0
  O  O36  1  0.250  0.663  0.852  1.0
  O  O37  1  0.250  0.837  0.352  1.0
  O  O38  1  0.750  0.337  0.148  1.0
  O  O39  1  0.750  0.163  0.648  1.0
  O  O40  1  0.399  0.436  0.919  1.0
  O  O41  1  0.101  0.064  0.419  1.0
  O  O42  1  0.899  0.564  0.081  1.0
  O  O43  1  0.601  0.936  0.581  1.0
  O  O44  1  0.601  0.564  0.081  1.0
  O  O45  1  0.899  0.936  0.581  1.0
  O  O46  1  0.101  0.436  0.919  1.0
  O  O47  1  0.399  0.064  0.419  1.0
  O  O48  1  0.750  0.149  0.932  1.0
  O  O49  1  0.750  0.351  0.432  1.0
  O  O50  1  0.250  0.851  0.068  1.0
  O  O51  1  0.250  0.649  0.568  1.0
[/CIF]
.
The compound described by CoN5SOClSO3 is Iron Boride structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur trioxide molecules and four CoN5SOCl clusters. In each CoN5SOCl cluster, Co(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one Co(1) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Co(1) and one Cl(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Co(1), one N(3), and one S(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent N(3) and one O(3) atom. O(3) is bonded in a single-bond geometry to one S(1) atom. Cl(1) is bonded in an L-shaped geometry to two equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoS2N5ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.325
_cell_length_b   8.500
_cell_length_c   14.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1026.258
_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
  Co  Co0  1  0.250  0.174  0.670  1.0
  Co  Co1  1  0.250  0.326  0.170  1.0
  Co  Co2  1  0.750  0.826  0.330  1.0
  Co  Co3  1  0.750  0.674  0.830  1.0
  S  S4  1  0.250  0.527  0.639  1.0
  S  S5  1  0.250  0.973  0.139  1.0
  S  S6  1  0.750  0.473  0.361  1.0
  S  S7  1  0.750  0.027  0.861  1.0
  S  S8  1  0.250  0.513  0.898  1.0
  S  S9  1  0.250  0.987  0.398  1.0
  S  S10  1  0.750  0.487  0.102  1.0
  S  S11  1  0.750  0.013  0.602  1.0
  N  N12  1  0.250  0.015  0.619  1.0
  N  N13  1  0.250  0.485  0.119  1.0
  N  N14  1  0.750  0.985  0.381  1.0
  N  N15  1  0.750  0.515  0.881  1.0
  N  N16  1  0.387  0.177  0.767  1.0
  N  N17  1  0.113  0.323  0.267  1.0
  N  N18  1  0.887  0.823  0.233  1.0
  N  N19  1  0.613  0.677  0.733  1.0
  N  N20  1  0.613  0.823  0.233  1.0
  N  N21  1  0.887  0.677  0.733  1.0
  N  N22  1  0.113  0.177  0.767  1.0
  N  N23  1  0.387  0.323  0.267  1.0
  N  N24  1  0.170  0.344  0.590  1.0
  N  N25  1  0.330  0.156  0.090  1.0
  N  N26  1  0.670  0.656  0.410  1.0
  N  N27  1  0.830  0.844  0.910  1.0
  N  N28  1  0.830  0.656  0.410  1.0
  N  N29  1  0.670  0.844  0.910  1.0
  N  N30  1  0.330  0.344  0.590  1.0
  N  N31  1  0.170  0.156  0.090  1.0
  Cl  Cl32  1  0.750  0.581  0.658  1.0
  Cl  Cl33  1  0.750  0.919  0.158  1.0
  Cl  Cl34  1  0.250  0.419  0.342  1.0
  Cl  Cl35  1  0.250  0.081  0.842  1.0
  O  O36  1  0.250  0.663  0.852  1.0
  O  O37  1  0.250  0.837  0.352  1.0
  O  O38  1  0.750  0.337  0.148  1.0
  O  O39  1  0.750  0.163  0.648  1.0
  O  O40  1  0.399  0.436  0.919  1.0
  O  O41  1  0.101  0.064  0.419  1.0
  O  O42  1  0.899  0.564  0.081  1.0
  O  O43  1  0.601  0.936  0.581  1.0
  O  O44  1  0.601  0.564  0.081  1.0
  O  O45  1  0.899  0.936  0.581  1.0
  O  O46  1  0.101  0.436  0.919  1.0
  O  O47  1  0.399  0.064  0.419  1.0
  O  O48  1  0.750  0.149  0.932  1.0
  O  O49  1  0.750  0.351  0.432  1.0
  O  O50  1  0.250  0.851  0.068  1.0
  O  O51  1  0.250  0.649  0.568  1.0
[/CIF]
.