The material described by Ni(CN)4CuH16(CN)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one tetracyano nickel molecule and one CuH16(CN)4 cluster. In the CuH16(CN)4 cluster, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(1), and one H(2) atom. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(3), and one H(4) atom. There are two inequivalent N sites. In the first N site, N(4) is bonded to one Cu(1), one C(2), one H(7), and one H(8) atom to form distorted corner-sharing NCuH2C tetrahedra. In the second N site, N(3) is bonded to one Cu(1), one C(1), one H(5), and one H(6) atom to form distorted corner-sharing NCuH2C tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiH16(CN)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.911
_cell_length_b   7.822
_cell_length_c   8.191
_cell_angle_alpha   106.525
_cell_angle_beta   91.864
_cell_angle_gamma   107.601
_symmetry_Int_Tables_number   1
_cell_volume   401.205
_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
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.720  0.639  0.223  1.0
  H  H3  1  0.280  0.361  0.777  1.0
  H  H4  1  0.602  0.713  0.071  1.0
  H  H5  1  0.398  0.287  0.929  1.0
  H  H6  1  0.663  0.949  0.360  1.0
  H  H7  1  0.337  0.051  0.640  1.0
  H  H8  1  0.926  0.968  0.376  1.0
  H  H9  1  0.074  0.032  0.624  1.0
  H  H10  1  0.868  0.637  0.939  1.0
  H  H11  1  0.132  0.363  0.061  1.0
  H  H12  1  0.033  0.737  0.118  1.0
  H  H13  1  0.967  0.263  0.882  1.0
  H  H14  1  0.710  0.092  0.144  1.0
  H  H15  1  0.290  0.908  0.856  1.0
  H  H16  1  0.922  0.212  0.278  1.0
  H  H17  1  0.078  0.788  0.722  1.0
  C  C18  1  0.743  0.746  0.157  1.0
  C  C19  1  0.257  0.254  0.843  1.0
  C  C20  1  0.791  0.940  0.287  1.0
  C  C21  1  0.209  0.060  0.713  1.0
  C  C22  1  0.695  0.435  0.605  1.0
  C  C23  1  0.305  0.565  0.395  1.0
  C  C24  1  0.583  0.728  0.672  1.0
  C  C25  1  0.417  0.272  0.328  1.0
  N  N26  1  0.819  0.402  0.682  1.0
  N  N27  1  0.181  0.598  0.318  1.0
  N  N28  1  0.641  0.870  0.786  1.0
  N  N29  1  0.359  0.130  0.214  1.0
  N  N30  1  0.912  0.748  0.051  1.0
  N  N31  1  0.088  0.252  0.949  1.0
  N  N32  1  0.842  0.083  0.195  1.0
  N  N33  1  0.158  0.917  0.805  1.0
[/CIF]
.
The material described by Ni(CN)4CuH16(CN)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one tetracyano nickel molecule and one CuH16(CN)4 cluster. In the CuH16(CN)4 cluster, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(1), and one H(2) atom. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(3), and one H(4) atom. There are two inequivalent N sites. In the first N site, N(4) is bonded to one Cu(1), one C(2), one H(7), and one H(8) atom to form distorted corner-sharing NCuH2C tetrahedra. In the second N site, N(3) is bonded to one Cu(1), one C(1), one H(5), and one H(6) atom to form distorted corner-sharing NCuH2C tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiH16(CN)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.911
_cell_length_b   7.822
_cell_length_c   8.191
_cell_angle_alpha   106.525
_cell_angle_beta   91.864
_cell_angle_gamma   107.601
_symmetry_Int_Tables_number   1
_cell_volume   401.205
_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
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.720  0.639  0.223  1.0
  H  H3  1  0.280  0.361  0.777  1.0
  H  H4  1  0.602  0.713  0.071  1.0
  H  H5  1  0.398  0.287  0.929  1.0
  H  H6  1  0.663  0.949  0.360  1.0
  H  H7  1  0.337  0.051  0.640  1.0
  H  H8  1  0.926  0.968  0.376  1.0
  H  H9  1  0.074  0.032  0.624  1.0
  H  H10  1  0.868  0.637  0.939  1.0
  H  H11  1  0.132  0.363  0.061  1.0
  H  H12  1  0.033  0.737  0.118  1.0
  H  H13  1  0.967  0.263  0.882  1.0
  H  H14  1  0.710  0.092  0.144  1.0
  H  H15  1  0.290  0.908  0.856  1.0
  H  H16  1  0.922  0.212  0.278  1.0
  H  H17  1  0.078  0.788  0.722  1.0
  C  C18  1  0.743  0.746  0.157  1.0
  C  C19  1  0.257  0.254  0.843  1.0
  C  C20  1  0.791  0.940  0.287  1.0
  C  C21  1  0.209  0.060  0.713  1.0
  C  C22  1  0.695  0.435  0.605  1.0
  C  C23  1  0.305  0.565  0.395  1.0
  C  C24  1  0.583  0.728  0.672  1.0
  C  C25  1  0.417  0.272  0.328  1.0
  N  N26  1  0.819  0.402  0.682  1.0
  N  N27  1  0.181  0.598  0.318  1.0
  N  N28  1  0.641  0.870  0.786  1.0
  N  N29  1  0.359  0.130  0.214  1.0
  N  N30  1  0.912  0.748  0.051  1.0
  N  N31  1  0.088  0.252  0.949  1.0
  N  N32  1  0.842  0.083  0.195  1.0
  N  N33  1  0.158  0.917  0.805  1.0
[/CIF]
.