The structure described by NiH6(NO)2(SO3)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four sulfur trioxide molecules, and two NiH6 clusters. In each NiH6 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Ni(1) and one H(3) atom. In the second H site, H(3) is bonded in a 2-coordinate geometry to one Ni(1) and one H(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiH6S2(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.805
_cell_length_c   13.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.666
_symmetry_Int_Tables_number   1
_cell_volume   725.690
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.475  0.009  0.888  1.0
  H  H3  1  0.525  0.991  0.112  1.0
  H  H4  1  0.525  0.491  0.388  1.0
  H  H5  1  0.475  0.509  0.612  1.0
  H  H6  1  0.619  0.895  0.956  1.0
  H  H7  1  0.381  0.105  0.044  1.0
  H  H8  1  0.381  0.605  0.456  1.0
  H  H9  1  0.619  0.395  0.544  1.0
  H  H10  1  0.406  0.571  0.585  1.0
  H  H11  1  0.594  0.429  0.415  1.0
  H  H12  1  0.594  0.929  0.085  1.0
  H  H13  1  0.406  0.071  0.915  1.0
  S  S14  1  0.714  0.592  0.881  1.0
  S  S15  1  0.286  0.408  0.119  1.0
  S  S16  1  0.286  0.908  0.381  1.0
  S  S17  1  0.714  0.092  0.619  1.0
  N  N18  1  0.887  0.710  0.184  1.0
  N  N19  1  0.113  0.290  0.816  1.0
  N  N20  1  0.113  0.790  0.684  1.0
  N  N21  1  0.887  0.210  0.316  1.0
  O  O22  1  0.029  0.637  0.695  1.0
  O  O23  1  0.971  0.363  0.305  1.0
  O  O24  1  0.971  0.863  0.195  1.0
  O  O25  1  0.029  0.137  0.805  1.0
  O  O26  1  0.655  0.908  0.586  1.0
  O  O27  1  0.345  0.092  0.414  1.0
  O  O28  1  0.345  0.592  0.086  1.0
  O  O29  1  0.655  0.408  0.914  1.0
  O  O30  1  0.600  0.645  0.808  1.0
  O  O31  1  0.400  0.355  0.192  1.0
  O  O32  1  0.400  0.855  0.308  1.0
  O  O33  1  0.600  0.145  0.692  1.0
  O  O34  1  0.883  0.723  0.923  1.0
  O  O35  1  0.117  0.277  0.077  1.0
  O  O36  1  0.117  0.777  0.423  1.0
  O  O37  1  0.883  0.223  0.577  1.0
[/CIF]
.
The structure described by NiH6(NO)2(SO3)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four sulfur trioxide molecules, and two NiH6 clusters. In each NiH6 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Ni(1) and one H(3) atom. In the second H site, H(3) is bonded in a 2-coordinate geometry to one Ni(1) and one H(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiH6S2(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.805
_cell_length_c   13.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.666
_symmetry_Int_Tables_number   1
_cell_volume   725.690
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.475  0.009  0.888  1.0
  H  H3  1  0.525  0.991  0.112  1.0
  H  H4  1  0.525  0.491  0.388  1.0
  H  H5  1  0.475  0.509  0.612  1.0
  H  H6  1  0.619  0.895  0.956  1.0
  H  H7  1  0.381  0.105  0.044  1.0
  H  H8  1  0.381  0.605  0.456  1.0
  H  H9  1  0.619  0.395  0.544  1.0
  H  H10  1  0.406  0.571  0.585  1.0
  H  H11  1  0.594  0.429  0.415  1.0
  H  H12  1  0.594  0.929  0.085  1.0
  H  H13  1  0.406  0.071  0.915  1.0
  S  S14  1  0.714  0.592  0.881  1.0
  S  S15  1  0.286  0.408  0.119  1.0
  S  S16  1  0.286  0.908  0.381  1.0
  S  S17  1  0.714  0.092  0.619  1.0
  N  N18  1  0.887  0.710  0.184  1.0
  N  N19  1  0.113  0.290  0.816  1.0
  N  N20  1  0.113  0.790  0.684  1.0
  N  N21  1  0.887  0.210  0.316  1.0
  O  O22  1  0.029  0.637  0.695  1.0
  O  O23  1  0.971  0.363  0.305  1.0
  O  O24  1  0.971  0.863  0.195  1.0
  O  O25  1  0.029  0.137  0.805  1.0
  O  O26  1  0.655  0.908  0.586  1.0
  O  O27  1  0.345  0.092  0.414  1.0
  O  O28  1  0.345  0.592  0.086  1.0
  O  O29  1  0.655  0.408  0.914  1.0
  O  O30  1  0.600  0.645  0.808  1.0
  O  O31  1  0.400  0.355  0.192  1.0
  O  O32  1  0.400  0.855  0.308  1.0
  O  O33  1  0.600  0.145  0.692  1.0
  O  O34  1  0.883  0.723  0.923  1.0
  O  O35  1  0.117  0.277  0.077  1.0
  O  O36  1  0.117  0.777  0.423  1.0
  O  O37  1  0.883  0.223  0.577  1.0
[/CIF]
.