The material structure described by AuCl4(NS)5 is Indium-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two AuCl4 clusters and two NS clusters. In each AuCl4 cluster, Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Au(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Au(1) atom. In each NS cluster, there are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. In the third N site, N(3) is bonded in a distorted bent 150 degrees geometry to two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(2) and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AuS5N5Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.267
_cell_length_b   5.654
_cell_length_c   10.831
_cell_angle_alpha   81.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.822
_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
  Au  Au0  1  0.750  0.157  0.705  1.0
  Au  Au1  1  0.250  0.843  0.295  1.0
  S  S2  1  0.750  0.356  0.042  1.0
  S  S3  1  0.935  0.588  0.171  1.0
  S  S4  1  0.631  0.913  0.348  1.0
  S  S5  1  0.250  0.644  0.958  1.0
  S  S6  1  0.435  0.412  0.829  1.0
  S  S7  1  0.369  0.087  0.652  1.0
  S  S8  1  0.869  0.913  0.348  1.0
  S  S9  1  0.565  0.588  0.171  1.0
  S  S10  1  0.065  0.412  0.829  1.0
  S  S11  1  0.131  0.087  0.652  1.0
  N  N12  1  0.137  0.562  0.910  1.0
  N  N13  1  0.138  0.263  0.752  1.0
  N  N14  1  0.750  0.987  0.384  1.0
  N  N15  1  0.362  0.263  0.752  1.0
  N  N16  1  0.638  0.737  0.248  1.0
  N  N17  1  0.637  0.438  0.090  1.0
  N  N18  1  0.862  0.737  0.248  1.0
  N  N19  1  0.863  0.438  0.090  1.0
  N  N20  1  0.250  0.013  0.616  1.0
  N  N21  1  0.363  0.562  0.910  1.0
  Cl  Cl22  1  0.616  0.373  0.586  1.0
  Cl  Cl23  1  0.384  0.627  0.414  1.0
  Cl  Cl24  1  0.116  0.056  0.174  1.0
  Cl  Cl25  1  0.616  0.944  0.826  1.0
  Cl  Cl26  1  0.884  0.373  0.586  1.0
  Cl  Cl27  1  0.884  0.944  0.826  1.0
  Cl  Cl28  1  0.384  0.056  0.174  1.0
  Cl  Cl29  1  0.116  0.627  0.414  1.0
[/CIF]
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The material structure described by AuCl4(NS)5 is Indium-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two AuCl4 clusters and two NS clusters. In each AuCl4 cluster, Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Au(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Au(1) atom. In each NS cluster, there are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. In the third N site, N(3) is bonded in a distorted bent 150 degrees geometry to two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(2) and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AuS5N5Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.267
_cell_length_b   5.654
_cell_length_c   10.831
_cell_angle_alpha   81.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.822
_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
  Au  Au0  1  0.750  0.157  0.705  1.0
  Au  Au1  1  0.250  0.843  0.295  1.0
  S  S2  1  0.750  0.356  0.042  1.0
  S  S3  1  0.935  0.588  0.171  1.0
  S  S4  1  0.631  0.913  0.348  1.0
  S  S5  1  0.250  0.644  0.958  1.0
  S  S6  1  0.435  0.412  0.829  1.0
  S  S7  1  0.369  0.087  0.652  1.0
  S  S8  1  0.869  0.913  0.348  1.0
  S  S9  1  0.565  0.588  0.171  1.0
  S  S10  1  0.065  0.412  0.829  1.0
  S  S11  1  0.131  0.087  0.652  1.0
  N  N12  1  0.137  0.562  0.910  1.0
  N  N13  1  0.138  0.263  0.752  1.0
  N  N14  1  0.750  0.987  0.384  1.0
  N  N15  1  0.362  0.263  0.752  1.0
  N  N16  1  0.638  0.737  0.248  1.0
  N  N17  1  0.637  0.438  0.090  1.0
  N  N18  1  0.862  0.737  0.248  1.0
  N  N19  1  0.863  0.438  0.090  1.0
  N  N20  1  0.250  0.013  0.616  1.0
  N  N21  1  0.363  0.562  0.910  1.0
  Cl  Cl22  1  0.616  0.373  0.586  1.0
  Cl  Cl23  1  0.384  0.627  0.414  1.0
  Cl  Cl24  1  0.116  0.056  0.174  1.0
  Cl  Cl25  1  0.616  0.944  0.826  1.0
  Cl  Cl26  1  0.884  0.373  0.586  1.0
  Cl  Cl27  1  0.884  0.944  0.826  1.0
  Cl  Cl28  1  0.384  0.056  0.174  1.0
  Cl  Cl29  1  0.116  0.627  0.414  1.0
[/CIF]
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