The structure described by CuC4H8(N4O)2Cl2 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms and one CuC4H8(N4O)2 cluster. In the CuC4H8(N4O)2 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), 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 bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(2), one H(1), and one H(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(4) atom. O(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuH8C4N8(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   6.463
_cell_length_c   9.361
_cell_angle_alpha   73.199
_cell_angle_beta   78.856
_cell_angle_gamma   82.176
_symmetry_Int_Tables_number   1
_cell_volume   307.607
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.008  0.767  0.492  1.0
  H  H2  1  0.992  0.233  0.508  1.0
  H  H3  1  0.222  0.815  0.325  1.0
  H  H4  1  0.778  0.185  0.675  1.0
  H  H5  1  0.164  0.683  0.728  1.0
  H  H6  1  0.836  0.317  0.272  1.0
  H  H7  1  0.492  0.678  0.723  1.0
  H  H8  1  0.508  0.322  0.277  1.0
  C  C9  1  0.698  0.828  0.304  1.0
  C  C10  1  0.302  0.172  0.696  1.0
  C  C11  1  0.382  0.746  0.517  1.0
  C  C12  1  0.618  0.254  0.483  1.0
  N  N13  1  0.798  0.873  0.177  1.0
  N  N14  1  0.202  0.127  0.823  1.0
  N  N15  1  0.623  0.766  0.446  1.0
  N  N16  1  0.377  0.234  0.554  1.0
  N  N17  1  0.190  0.783  0.439  1.0
  N  N18  1  0.810  0.217  0.561  1.0
  N  N19  1  0.344  0.689  0.667  1.0
  N  N20  1  0.656  0.311  0.333  1.0
  Cl  Cl21  1  0.779  0.719  0.857  1.0
  Cl  Cl22  1  0.221  0.281  0.143  1.0
  O  O23  1  0.759  0.211  0.941  1.0
  O  O24  1  0.241  0.789  0.059  1.0
[/CIF]
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The structure described by CuC4H8(N4O)2Cl2 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms and one CuC4H8(N4O)2 cluster. In the CuC4H8(N4O)2 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), 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 bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(2), one H(1), and one H(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(4) atom. O(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuH8C4N8(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   6.463
_cell_length_c   9.361
_cell_angle_alpha   73.199
_cell_angle_beta   78.856
_cell_angle_gamma   82.176
_symmetry_Int_Tables_number   1
_cell_volume   307.607
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.008  0.767  0.492  1.0
  H  H2  1  0.992  0.233  0.508  1.0
  H  H3  1  0.222  0.815  0.325  1.0
  H  H4  1  0.778  0.185  0.675  1.0
  H  H5  1  0.164  0.683  0.728  1.0
  H  H6  1  0.836  0.317  0.272  1.0
  H  H7  1  0.492  0.678  0.723  1.0
  H  H8  1  0.508  0.322  0.277  1.0
  C  C9  1  0.698  0.828  0.304  1.0
  C  C10  1  0.302  0.172  0.696  1.0
  C  C11  1  0.382  0.746  0.517  1.0
  C  C12  1  0.618  0.254  0.483  1.0
  N  N13  1  0.798  0.873  0.177  1.0
  N  N14  1  0.202  0.127  0.823  1.0
  N  N15  1  0.623  0.766  0.446  1.0
  N  N16  1  0.377  0.234  0.554  1.0
  N  N17  1  0.190  0.783  0.439  1.0
  N  N18  1  0.810  0.217  0.561  1.0
  N  N19  1  0.344  0.689  0.667  1.0
  N  N20  1  0.656  0.311  0.333  1.0
  Cl  Cl21  1  0.779  0.719  0.857  1.0
  Cl  Cl22  1  0.221  0.281  0.143  1.0
  O  O23  1  0.759  0.211  0.941  1.0
  O  O24  1  0.241  0.789  0.059  1.0
[/CIF]
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