The material described by CoCN6SCl2 crystallizes in the tetragonal I4mm space group. The structure consists of four hydrochloric acid atoms inside a CoCN6S framework. In the CoCN6S framework, Co(1) is bonded in an octahedral geometry to one N(1), one N(3), and four equivalent N(2) atoms. C(1) is bonded in a distorted single-bond geometry to one N(3) and one S(1) atom. 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 bent 150 degrees geometry to one Co(1) and one S(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Co(1) and one C(1) atom. S(1) is bonded in a 5-coordinate geometry to one C(1) and four equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCS(N3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   4.991
_cell_length_c   6.675
_cell_angle_alpha   111.957
_cell_angle_beta   111.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.138
_cell_formula_units_Z   1
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  0.984  0.984  0.968  1.0
  C  C1  1  0.270  0.270  0.541  1.0
  S  S2  1  0.439  0.439  0.877  1.0
  N  N3  1  0.840  0.840  0.679  1.0
  N  N4  1  0.287  0.287  0.997  1.0
  N  N5  1  0.711  0.711  0.997  1.0
  N  N6  1  0.287  0.711  0.997  1.0
  N  N7  1  0.711  0.287  0.997  1.0
  N  N8  1  0.167  0.167  0.333  1.0
  Cl  Cl9  1  0.798  0.298  0.596  1.0
  Cl  Cl10  1  0.298  0.798  0.596  1.0
[/CIF]
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The material described by CoCN6SCl2 crystallizes in the tetragonal I4mm space group. The structure consists of four hydrochloric acid atoms inside a CoCN6S framework. In the CoCN6S framework, Co(1) is bonded in an octahedral geometry to one N(1), one N(3), and four equivalent N(2) atoms. C(1) is bonded in a distorted single-bond geometry to one N(3) and one S(1) atom. 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 bent 150 degrees geometry to one Co(1) and one S(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Co(1) and one C(1) atom. S(1) is bonded in a 5-coordinate geometry to one C(1) and four equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCS(N3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   4.991
_cell_length_c   6.675
_cell_angle_alpha   111.957
_cell_angle_beta   111.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.138
_cell_formula_units_Z   1
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  0.984  0.984  0.968  1.0
  C  C1  1  0.270  0.270  0.541  1.0
  S  S2  1  0.439  0.439  0.877  1.0
  N  N3  1  0.840  0.840  0.679  1.0
  N  N4  1  0.287  0.287  0.997  1.0
  N  N5  1  0.711  0.711  0.997  1.0
  N  N6  1  0.287  0.711  0.997  1.0
  N  N7  1  0.711  0.287  0.997  1.0
  N  N8  1  0.167  0.167  0.333  1.0
  Cl  Cl9  1  0.798  0.298  0.596  1.0
  Cl  Cl10  1  0.298  0.798  0.596  1.0
[/CIF]
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