The compound described by CuCN4H3SClH2H2O(HCl)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1333-74-0 molecules, four hydrochloric acid molecules, two water molecules, and two CuCN4H3SCl clusters. In each CuCN4H3SCl cluster, Cu(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one Cl(2) atom. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one N(2) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one N(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one Cl(2) atom. S(1) is bonded in a distorted water-like geometry to one Cu(1) and one N(3) atom. Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) and one H(5) atom. is represented by the CIF card [CIF]
data_CuH9CSN4Cl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.506
_cell_length_b   8.941
_cell_length_c   9.667
_cell_angle_alpha   112.367
_cell_angle_beta   98.403
_cell_angle_gamma   92.151
_symmetry_Int_Tables_number   1
_cell_volume   590.386
_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
  Cu  Cu0  1  0.775  0.908  0.885  1.0
  Cu  Cu1  1  0.225  0.092  0.115  1.0
  H  H2  1  0.751  0.363  0.966  1.0
  H  H3  1  0.249  0.637  0.034  1.0
  H  H4  1  0.718  0.530  0.680  1.0
  H  H5  1  0.282  0.470  0.320  1.0
  H  H6  1  0.939  0.493  0.729  1.0
  H  H7  1  0.061  0.507  0.271  1.0
  H  H8  1  0.799  0.495  0.367  1.0
  H  H9  1  0.201  0.505  0.633  1.0
  H  H10  1  0.434  0.918  0.253  1.0
  H  H11  1  0.566  0.082  0.747  1.0
  H  H12  1  0.857  0.093  0.384  1.0
  H  H13  1  0.143  0.907  0.616  1.0
  H  H14  1  0.626  0.755  0.469  1.0
  H  H15  1  0.374  0.245  0.531  1.0
  H  H16  1  0.773  0.405  0.335  1.0
  H  H17  1  0.227  0.595  0.665  1.0
  H  H18  1  0.699  0.403  0.121  1.0
  H  H19  1  0.301  0.597  0.879  1.0
  C  C20  1  0.742  0.794  0.155  1.0
  C  C21  1  0.258  0.206  0.845  1.0
  S  S22  1  0.653  0.039  0.088  1.0
  S  S23  1  0.347  0.961  0.912  1.0
  N  N24  1  0.894  0.726  0.816  1.0
  N  N25  1  0.106  0.274  0.184  1.0
  N  N26  1  0.846  0.580  0.739  1.0
  N  N27  1  0.154  0.420  0.261  1.0
  N  N28  1  0.666  0.932  0.199  1.0
  N  N29  1  0.334  0.068  0.801  1.0
  N  N30  1  0.817  0.675  0.130  1.0
  N  N31  1  0.183  0.325  0.870  1.0
  Cl  Cl32  1  0.025  0.800  0.505  1.0
  Cl  Cl33  1  0.975  0.200  0.495  1.0
  Cl  Cl34  1  0.739  0.069  0.729  1.0
  Cl  Cl35  1  0.261  0.931  0.271  1.0
  Cl  Cl36  1  0.487  0.709  0.512  1.0
  Cl  Cl37  1  0.513  0.291  0.488  1.0
  O  O38  1  0.672  0.321  0.018  1.0
  O  O39  1  0.328  0.679  0.982  1.0
[/CIF]
.
The compound described by CuCN4H3SClH2H2O(HCl)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1333-74-0 molecules, four hydrochloric acid molecules, two water molecules, and two CuCN4H3SCl clusters. In each CuCN4H3SCl cluster, Cu(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one Cl(2) atom. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one N(2) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one N(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one Cl(2) atom. S(1) is bonded in a distorted water-like geometry to one Cu(1) and one N(3) atom. Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) and one H(5) atom. is represented by the CIF card [CIF]
data_CuH9CSN4Cl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.506
_cell_length_b   8.941
_cell_length_c   9.667
_cell_angle_alpha   112.367
_cell_angle_beta   98.403
_cell_angle_gamma   92.151
_symmetry_Int_Tables_number   1
_cell_volume   590.386
_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
  Cu  Cu0  1  0.775  0.908  0.885  1.0
  Cu  Cu1  1  0.225  0.092  0.115  1.0
  H  H2  1  0.751  0.363  0.966  1.0
  H  H3  1  0.249  0.637  0.034  1.0
  H  H4  1  0.718  0.530  0.680  1.0
  H  H5  1  0.282  0.470  0.320  1.0
  H  H6  1  0.939  0.493  0.729  1.0
  H  H7  1  0.061  0.507  0.271  1.0
  H  H8  1  0.799  0.495  0.367  1.0
  H  H9  1  0.201  0.505  0.633  1.0
  H  H10  1  0.434  0.918  0.253  1.0
  H  H11  1  0.566  0.082  0.747  1.0
  H  H12  1  0.857  0.093  0.384  1.0
  H  H13  1  0.143  0.907  0.616  1.0
  H  H14  1  0.626  0.755  0.469  1.0
  H  H15  1  0.374  0.245  0.531  1.0
  H  H16  1  0.773  0.405  0.335  1.0
  H  H17  1  0.227  0.595  0.665  1.0
  H  H18  1  0.699  0.403  0.121  1.0
  H  H19  1  0.301  0.597  0.879  1.0
  C  C20  1  0.742  0.794  0.155  1.0
  C  C21  1  0.258  0.206  0.845  1.0
  S  S22  1  0.653  0.039  0.088  1.0
  S  S23  1  0.347  0.961  0.912  1.0
  N  N24  1  0.894  0.726  0.816  1.0
  N  N25  1  0.106  0.274  0.184  1.0
  N  N26  1  0.846  0.580  0.739  1.0
  N  N27  1  0.154  0.420  0.261  1.0
  N  N28  1  0.666  0.932  0.199  1.0
  N  N29  1  0.334  0.068  0.801  1.0
  N  N30  1  0.817  0.675  0.130  1.0
  N  N31  1  0.183  0.325  0.870  1.0
  Cl  Cl32  1  0.025  0.800  0.505  1.0
  Cl  Cl33  1  0.975  0.200  0.495  1.0
  Cl  Cl34  1  0.739  0.069  0.729  1.0
  Cl  Cl35  1  0.261  0.931  0.271  1.0
  Cl  Cl36  1  0.487  0.709  0.512  1.0
  Cl  Cl37  1  0.513  0.291  0.488  1.0
  O  O38  1  0.672  0.321  0.018  1.0
  O  O39  1  0.328  0.679  0.982  1.0
[/CIF]
.