The material described by NiS4(NO4)2(CO)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four formaldehyde molecules and one NiS4(NO4)2 cluster. In the NiS4(NO4)2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. N(1) is bonded in a linear geometry to one S(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one O(1) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one S(2) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one Ni(1) and one O(6) atom. In the fourth O site, O(6) is bonded in a 2-coordinate geometry to one Ni(1) and one O(5) atom. is represented by the CIF card [CIF]
data_NiC4S4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.909
_cell_length_b   8.053
_cell_length_c   7.574
_cell_angle_alpha   67.517
_cell_angle_beta   85.218
_cell_angle_gamma   66.769
_symmetry_Int_Tables_number   1
_cell_volume   511.529
_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
  Ni  Ni0  1  0.500  0.000  0.500  1.0
  C  C1  1  0.106  0.373  0.858  1.0
  C  C2  1  0.894  0.627  0.142  1.0
  C  C3  1  0.901  0.143  0.786  1.0
  C  C4  1  0.099  0.857  0.214  1.0
  S  S5  1  0.317  0.581  0.721  1.0
  S  S6  1  0.683  0.419  0.279  1.0
  S  S7  1  0.560  0.165  0.827  1.0
  S  S8  1  0.440  0.835  0.173  1.0
  N  N9  1  0.444  0.372  0.793  1.0
  N  N10  1  0.556  0.628  0.207  1.0
  O  O11  1  0.272  0.658  0.874  1.0
  O  O12  1  0.728  0.342  0.126  1.0
  O  O13  1  0.165  0.271  0.007  1.0
  O  O14  1  0.835  0.729  0.993  1.0
  O  O15  1  0.925  0.185  0.628  1.0
  O  O16  1  0.075  0.815  0.372  1.0
  O  O17  1  0.579  0.108  0.656  1.0
  O  O18  1  0.421  0.892  0.344  1.0
  O  O19  1  0.290  0.093  0.580  1.0
  O  O20  1  0.710  0.907  0.420  1.0
  O  O21  1  0.312  0.226  0.427  1.0
  O  O22  1  0.688  0.774  0.573  1.0
[/CIF]
.
The material described by NiS4(NO4)2(CO)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four formaldehyde molecules and one NiS4(NO4)2 cluster. In the NiS4(NO4)2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. N(1) is bonded in a linear geometry to one S(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one O(1) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one S(2) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one Ni(1) and one O(6) atom. In the fourth O site, O(6) is bonded in a 2-coordinate geometry to one Ni(1) and one O(5) atom. is represented by the CIF card [CIF]
data_NiC4S4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.909
_cell_length_b   8.053
_cell_length_c   7.574
_cell_angle_alpha   67.517
_cell_angle_beta   85.218
_cell_angle_gamma   66.769
_symmetry_Int_Tables_number   1
_cell_volume   511.529
_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
  Ni  Ni0  1  0.500  0.000  0.500  1.0
  C  C1  1  0.106  0.373  0.858  1.0
  C  C2  1  0.894  0.627  0.142  1.0
  C  C3  1  0.901  0.143  0.786  1.0
  C  C4  1  0.099  0.857  0.214  1.0
  S  S5  1  0.317  0.581  0.721  1.0
  S  S6  1  0.683  0.419  0.279  1.0
  S  S7  1  0.560  0.165  0.827  1.0
  S  S8  1  0.440  0.835  0.173  1.0
  N  N9  1  0.444  0.372  0.793  1.0
  N  N10  1  0.556  0.628  0.207  1.0
  O  O11  1  0.272  0.658  0.874  1.0
  O  O12  1  0.728  0.342  0.126  1.0
  O  O13  1  0.165  0.271  0.007  1.0
  O  O14  1  0.835  0.729  0.993  1.0
  O  O15  1  0.925  0.185  0.628  1.0
  O  O16  1  0.075  0.815  0.372  1.0
  O  O17  1  0.579  0.108  0.656  1.0
  O  O18  1  0.421  0.892  0.344  1.0
  O  O19  1  0.290  0.093  0.580  1.0
  O  O20  1  0.710  0.907  0.420  1.0
  O  O21  1  0.312  0.226  0.427  1.0
  O  O22  1  0.688  0.774  0.573  1.0
[/CIF]
.