The compound described by FeCl4N4S4Cl is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two tetrachloroferrat(iii) molecules and two N4S4Cl clusters. In each N4S4Cl cluster, there are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(1) and one S(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one S(1) and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one N(2), one N(4), and one Cl(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to one N(1) and one N(4) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. Cl(4) is bonded in a single-bond geometry to one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS4N4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.371
_cell_length_b   9.463
_cell_length_c   10.401
_cell_angle_alpha   76.777
_cell_angle_beta   83.662
_cell_angle_gamma   79.748
_symmetry_Int_Tables_number   1
_cell_volume   693.128
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.951  0.190  0.217  1.0
  Fe  Fe1  1  0.049  0.810  0.783  1.0
  S  S2  1  0.378  0.335  0.866  1.0
  S  S3  1  0.332  0.199  0.531  1.0
  S  S4  1  0.530  0.960  0.202  1.0
  S  S5  1  0.923  0.602  0.316  1.0
  S  S6  1  0.077  0.398  0.684  1.0
  S  S7  1  0.668  0.801  0.469  1.0
  S  S8  1  0.470  0.040  0.798  1.0
  S  S9  1  0.622  0.665  0.134  1.0
  N  N10  1  0.433  0.086  0.649  1.0
  N  N11  1  0.178  0.389  0.812  1.0
  N  N12  1  0.822  0.611  0.188  1.0
  N  N13  1  0.177  0.324  0.572  1.0
  N  N14  1  0.565  0.839  0.114  1.0
  N  N15  1  0.435  0.161  0.886  1.0
  N  N16  1  0.567  0.914  0.351  1.0
  N  N17  1  0.823  0.676  0.428  1.0
  Cl  Cl18  1  0.184  0.797  0.585  1.0
  Cl  Cl19  1  0.243  0.697  0.935  1.0
  Cl  Cl20  1  0.757  0.303  0.065  1.0
  Cl  Cl21  1  0.798  0.707  0.808  1.0
  Cl  Cl22  1  0.440  0.584  0.307  1.0
  Cl  Cl23  1  0.202  0.293  0.192  1.0
  Cl  Cl24  1  0.816  0.203  0.415  1.0
  Cl  Cl25  1  0.966  0.042  0.801  1.0
  Cl  Cl26  1  0.034  0.958  0.199  1.0
  Cl  Cl27  1  0.560  0.416  0.693  1.0
[/CIF]
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The compound described by FeCl4N4S4Cl is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two tetrachloroferrat(iii) molecules and two N4S4Cl clusters. In each N4S4Cl cluster, there are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(1) and one S(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one S(1) and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one N(2), one N(4), and one Cl(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to one N(1) and one N(4) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. Cl(4) is bonded in a single-bond geometry to one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS4N4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.371
_cell_length_b   9.463
_cell_length_c   10.401
_cell_angle_alpha   76.777
_cell_angle_beta   83.662
_cell_angle_gamma   79.748
_symmetry_Int_Tables_number   1
_cell_volume   693.128
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.951  0.190  0.217  1.0
  Fe  Fe1  1  0.049  0.810  0.783  1.0
  S  S2  1  0.378  0.335  0.866  1.0
  S  S3  1  0.332  0.199  0.531  1.0
  S  S4  1  0.530  0.960  0.202  1.0
  S  S5  1  0.923  0.602  0.316  1.0
  S  S6  1  0.077  0.398  0.684  1.0
  S  S7  1  0.668  0.801  0.469  1.0
  S  S8  1  0.470  0.040  0.798  1.0
  S  S9  1  0.622  0.665  0.134  1.0
  N  N10  1  0.433  0.086  0.649  1.0
  N  N11  1  0.178  0.389  0.812  1.0
  N  N12  1  0.822  0.611  0.188  1.0
  N  N13  1  0.177  0.324  0.572  1.0
  N  N14  1  0.565  0.839  0.114  1.0
  N  N15  1  0.435  0.161  0.886  1.0
  N  N16  1  0.567  0.914  0.351  1.0
  N  N17  1  0.823  0.676  0.428  1.0
  Cl  Cl18  1  0.184  0.797  0.585  1.0
  Cl  Cl19  1  0.243  0.697  0.935  1.0
  Cl  Cl20  1  0.757  0.303  0.065  1.0
  Cl  Cl21  1  0.798  0.707  0.808  1.0
  Cl  Cl22  1  0.440  0.584  0.307  1.0
  Cl  Cl23  1  0.202  0.293  0.192  1.0
  Cl  Cl24  1  0.816  0.203  0.415  1.0
  Cl  Cl25  1  0.966  0.042  0.801  1.0
  Cl  Cl26  1  0.034  0.958  0.199  1.0
  Cl  Cl27  1  0.560  0.416  0.693  1.0
[/CIF]
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