The crystal structure described by NiO6NiP8(NO13)2(NO)2(O2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7782-44-7 molecules, two nitroxyl molecules, one NiO6 cluster, and one NiP8(NO13)2 cluster. In the NiO6 cluster, Ni(2) is bonded in a linear geometry to two equivalent O(14) atoms. There are three inequivalent O sites. In the first O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one O(15) atom. In the second O site, O(15) is bonded in a bent 120 degrees geometry to one O(14) and one O(19) atom. In the third O site, O(19) is bonded in a single-bond geometry to one O(15) atom. In the NiP8(NO13)2 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. N(1) is bonded in a water-like geometry to one O(11) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one N(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_NiP4N2O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   9.593
_cell_length_c   13.224
_cell_angle_alpha   98.239
_cell_angle_beta   98.036
_cell_angle_gamma   93.991
_symmetry_Int_Tables_number   1
_cell_volume   876.860
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.829  0.309  0.029  1.0
  P  P3  1  0.171  0.691  0.971  1.0
  P  P4  1  0.694  0.087  0.150  1.0
  P  P5  1  0.306  0.913  0.850  1.0
  P  P6  1  0.963  0.513  0.221  1.0
  P  P7  1  0.037  0.487  0.779  1.0
  P  P8  1  0.951  0.266  0.332  1.0
  P  P9  1  0.049  0.734  0.668  1.0
  N  N10  1  0.341  0.458  0.228  1.0
  N  N11  1  0.659  0.542  0.772  1.0
  N  N12  1  0.743  0.741  0.009  1.0
  N  N13  1  0.257  0.259  0.991  1.0
  O  O14  1  0.956  0.200  0.983  1.0
  O  O15  1  0.044  0.800  0.017  1.0
  O  O16  1  0.288  0.610  0.038  1.0
  O  O17  1  0.712  0.390  0.962  1.0
  O  O18  1  0.696  0.230  0.097  1.0
  O  O19  1  0.304  0.770  0.903  1.0
  O  O20  1  0.835  0.992  0.103  1.0
  O  O21  1  0.165  0.008  0.897  1.0
  O  O22  1  0.493  0.029  0.143  1.0
  O  O23  1  0.507  0.971  0.857  1.0
  O  O24  1  0.784  0.147  0.268  1.0
  O  O25  1  0.216  0.853  0.732  1.0
  O  O26  1  0.143  0.241  0.299  1.0
  O  O27  1  0.857  0.759  0.701  1.0
  O  O28  1  0.933  0.278  0.444  1.0
  O  O29  1  0.067  0.722  0.556  1.0
  O  O30  1  0.875  0.410  0.292  1.0
  O  O31  1  0.125  0.590  0.708  1.0
  O  O32  1  0.842  0.630  0.208  1.0
  O  O33  1  0.158  0.370  0.792  1.0
  O  O34  1  0.178  0.558  0.272  1.0
  O  O35  1  0.822  0.442  0.728  1.0
  O  O36  1  0.984  0.409  0.117  1.0
  O  O37  1  0.016  0.591  0.883  1.0
  O  O38  1  0.482  0.480  0.285  1.0
  O  O39  1  0.518  0.520  0.715  1.0
  O  O40  1  0.481  0.677  0.471  1.0
  O  O41  1  0.519  0.323  0.529  1.0
  O  O42  1  0.668  0.748  0.457  1.0
  O  O43  1  0.332  0.252  0.543  1.0
  O  O44  1  0.325  0.253  0.072  1.0
  O  O45  1  0.675  0.747  0.928  1.0
  O  O46  1  0.281  0.933  0.311  1.0
  O  O47  1  0.719  0.067  0.689  1.0
  O  O48  1  0.419  0.979  0.376  1.0
  O  O49  1  0.581  0.021  0.624  1.0
  O  O50  1  0.659  0.800  0.376  1.0
  O  O51  1  0.341  0.200  0.624  1.0
[/CIF]
.
The crystal structure described by NiO6NiP8(NO13)2(NO)2(O2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7782-44-7 molecules, two nitroxyl molecules, one NiO6 cluster, and one NiP8(NO13)2 cluster. In the NiO6 cluster, Ni(2) is bonded in a linear geometry to two equivalent O(14) atoms. There are three inequivalent O sites. In the first O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one O(15) atom. In the second O site, O(15) is bonded in a bent 120 degrees geometry to one O(14) and one O(19) atom. In the third O site, O(19) is bonded in a single-bond geometry to one O(15) atom. In the NiP8(NO13)2 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. N(1) is bonded in a water-like geometry to one O(11) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one N(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_NiP4N2O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   9.593
_cell_length_c   13.224
_cell_angle_alpha   98.239
_cell_angle_beta   98.036
_cell_angle_gamma   93.991
_symmetry_Int_Tables_number   1
_cell_volume   876.860
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.829  0.309  0.029  1.0
  P  P3  1  0.171  0.691  0.971  1.0
  P  P4  1  0.694  0.087  0.150  1.0
  P  P5  1  0.306  0.913  0.850  1.0
  P  P6  1  0.963  0.513  0.221  1.0
  P  P7  1  0.037  0.487  0.779  1.0
  P  P8  1  0.951  0.266  0.332  1.0
  P  P9  1  0.049  0.734  0.668  1.0
  N  N10  1  0.341  0.458  0.228  1.0
  N  N11  1  0.659  0.542  0.772  1.0
  N  N12  1  0.743  0.741  0.009  1.0
  N  N13  1  0.257  0.259  0.991  1.0
  O  O14  1  0.956  0.200  0.983  1.0
  O  O15  1  0.044  0.800  0.017  1.0
  O  O16  1  0.288  0.610  0.038  1.0
  O  O17  1  0.712  0.390  0.962  1.0
  O  O18  1  0.696  0.230  0.097  1.0
  O  O19  1  0.304  0.770  0.903  1.0
  O  O20  1  0.835  0.992  0.103  1.0
  O  O21  1  0.165  0.008  0.897  1.0
  O  O22  1  0.493  0.029  0.143  1.0
  O  O23  1  0.507  0.971  0.857  1.0
  O  O24  1  0.784  0.147  0.268  1.0
  O  O25  1  0.216  0.853  0.732  1.0
  O  O26  1  0.143  0.241  0.299  1.0
  O  O27  1  0.857  0.759  0.701  1.0
  O  O28  1  0.933  0.278  0.444  1.0
  O  O29  1  0.067  0.722  0.556  1.0
  O  O30  1  0.875  0.410  0.292  1.0
  O  O31  1  0.125  0.590  0.708  1.0
  O  O32  1  0.842  0.630  0.208  1.0
  O  O33  1  0.158  0.370  0.792  1.0
  O  O34  1  0.178  0.558  0.272  1.0
  O  O35  1  0.822  0.442  0.728  1.0
  O  O36  1  0.984  0.409  0.117  1.0
  O  O37  1  0.016  0.591  0.883  1.0
  O  O38  1  0.482  0.480  0.285  1.0
  O  O39  1  0.518  0.520  0.715  1.0
  O  O40  1  0.481  0.677  0.471  1.0
  O  O41  1  0.519  0.323  0.529  1.0
  O  O42  1  0.668  0.748  0.457  1.0
  O  O43  1  0.332  0.252  0.543  1.0
  O  O44  1  0.325  0.253  0.072  1.0
  O  O45  1  0.675  0.747  0.928  1.0
  O  O46  1  0.281  0.933  0.311  1.0
  O  O47  1  0.719  0.067  0.689  1.0
  O  O48  1  0.419  0.979  0.376  1.0
  O  O49  1  0.581  0.021  0.624  1.0
  O  O50  1  0.659  0.800  0.376  1.0
  O  O51  1  0.341  0.200  0.624  1.0
[/CIF]
.