The material described by Mo5NO16N2NO is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia atoms, two nitroxyl molecules, and one Mo5NO16 cluster. In the Mo5NO16 cluster, there are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and one O(9) atom. In the third Mo site, Mo(3) is bonded to one O(1), one O(10), one O(12), and one O(7) atom to form corner-sharing MoO4 tetrahedra. In the fourth Mo site, Mo(4) is bonded to one O(11), one O(13), one O(14), one O(3), and one O(7) atom to form distorted corner-sharing MoO5 trigonal bipyramids. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(16), one O(17), and one O(2) atom to form corner-sharing MoO4 tetrahedra. N(4) is bonded in a water-like geometry to one O(4) and one O(5) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one N(4) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mo(1) and one N(4) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(4) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mo(4) atom. In the fifteenth O site, O(16) is bonded in a single-bond geometry to one Mo(5) atom. In the sixteenth O site, O(17) is bonded in a single-bond geometry to one Mo(5) atom. is represented by the CIF card [CIF]
data_Mo5N4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   10.861
_cell_length_c   12.210
_cell_angle_alpha   110.749
_cell_angle_beta   104.553
_cell_angle_gamma   86.068
_symmetry_Int_Tables_number   1
_cell_volume   1068.820
_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
  Mo  Mo0  1  0.879  0.154  0.268  1.0
  Mo  Mo1  1  0.121  0.846  0.732  1.0
  Mo  Mo2  1  0.217  0.269  0.595  1.0
  Mo  Mo3  1  0.783  0.731  0.405  1.0
  Mo  Mo4  1  0.786  0.448  0.504  1.0
  Mo  Mo5  1  0.214  0.552  0.496  1.0
  Mo  Mo6  1  0.093  0.549  0.796  1.0
  Mo  Mo7  1  0.907  0.451  0.204  1.0
  Mo  Mo8  1  0.625  0.205  0.011  1.0
  Mo  Mo9  1  0.375  0.795  0.989  1.0
  N  N10  1  0.586  0.769  0.724  1.0
  N  N11  1  0.414  0.231  0.276  1.0
  N  N12  1  0.107  0.215  0.932  1.0
  N  N13  1  0.893  0.785  0.068  1.0
  N  N14  1  0.632  0.435  0.804  1.0
  N  N15  1  0.368  0.565  0.196  1.0
  N  N16  1  0.175  0.070  0.317  1.0
  N  N17  1  0.825  0.930  0.683  1.0
  O  O18  1  0.780  0.328  0.352  1.0
  O  O19  1  0.220  0.672  0.648  1.0
  O  O20  1  0.738  0.111  0.107  1.0
  O  O21  1  0.262  0.889  0.893  1.0
  O  O22  1  0.990  0.300  0.224  1.0
  O  O23  1  0.010  0.700  0.776  1.0
  O  O24  1  0.113  0.167  0.395  1.0
  O  O25  1  0.887  0.833  0.605  1.0
  O  O26  1  0.076  0.030  0.217  1.0
  O  O27  1  0.924  0.970  0.783  1.0
  O  O28  1  0.805  0.065  0.332  1.0
  O  O29  1  0.195  0.935  0.668  1.0
  O  O30  1  0.980  0.457  0.607  1.0
  O  O31  1  0.020  0.543  0.393  1.0
  O  O32  1  0.378  0.176  0.612  1.0
  O  O33  1  0.622  0.824  0.388  1.0
  O  O34  1  0.067  0.187  0.607  1.0
  O  O35  1  0.933  0.813  0.393  1.0
  O  O36  1  0.739  0.610  0.494  1.0
  O  O37  1  0.261  0.390  0.506  1.0
  O  O38  1  0.247  0.421  0.740  1.0
  O  O39  1  0.753  0.579  0.260  1.0
  O  O40  1  0.651  0.404  0.562  1.0
  O  O41  1  0.349  0.596  0.438  1.0
  O  O42  1  0.247  0.639  0.940  1.0
  O  O43  1  0.753  0.361  0.060  1.0
  O  O44  1  0.971  0.482  0.847  1.0
  O  O45  1  0.029  0.518  0.153  1.0
  O  O46  1  0.653  0.324  0.786  1.0
  O  O47  1  0.347  0.676  0.214  1.0
  O  O48  1  0.446  0.249  0.043  1.0
  O  O49  1  0.554  0.751  0.957  1.0
  O  O50  1  0.595  0.110  0.861  1.0
  O  O51  1  0.405  0.890  0.139  1.0
[/CIF]
.
The material described by Mo5NO16N2NO is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia atoms, two nitroxyl molecules, and one Mo5NO16 cluster. In the Mo5NO16 cluster, there are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and one O(9) atom. In the third Mo site, Mo(3) is bonded to one O(1), one O(10), one O(12), and one O(7) atom to form corner-sharing MoO4 tetrahedra. In the fourth Mo site, Mo(4) is bonded to one O(11), one O(13), one O(14), one O(3), and one O(7) atom to form distorted corner-sharing MoO5 trigonal bipyramids. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(16), one O(17), and one O(2) atom to form corner-sharing MoO4 tetrahedra. N(4) is bonded in a water-like geometry to one O(4) and one O(5) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one N(4) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mo(1) and one N(4) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(4) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(4) and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mo(4) atom. In the fifteenth O site, O(16) is bonded in a single-bond geometry to one Mo(5) atom. In the sixteenth O site, O(17) is bonded in a single-bond geometry to one Mo(5) atom. is represented by the CIF card [CIF]
data_Mo5N4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   10.861
_cell_length_c   12.210
_cell_angle_alpha   110.749
_cell_angle_beta   104.553
_cell_angle_gamma   86.068
_symmetry_Int_Tables_number   1
_cell_volume   1068.820
_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
  Mo  Mo0  1  0.879  0.154  0.268  1.0
  Mo  Mo1  1  0.121  0.846  0.732  1.0
  Mo  Mo2  1  0.217  0.269  0.595  1.0
  Mo  Mo3  1  0.783  0.731  0.405  1.0
  Mo  Mo4  1  0.786  0.448  0.504  1.0
  Mo  Mo5  1  0.214  0.552  0.496  1.0
  Mo  Mo6  1  0.093  0.549  0.796  1.0
  Mo  Mo7  1  0.907  0.451  0.204  1.0
  Mo  Mo8  1  0.625  0.205  0.011  1.0
  Mo  Mo9  1  0.375  0.795  0.989  1.0
  N  N10  1  0.586  0.769  0.724  1.0
  N  N11  1  0.414  0.231  0.276  1.0
  N  N12  1  0.107  0.215  0.932  1.0
  N  N13  1  0.893  0.785  0.068  1.0
  N  N14  1  0.632  0.435  0.804  1.0
  N  N15  1  0.368  0.565  0.196  1.0
  N  N16  1  0.175  0.070  0.317  1.0
  N  N17  1  0.825  0.930  0.683  1.0
  O  O18  1  0.780  0.328  0.352  1.0
  O  O19  1  0.220  0.672  0.648  1.0
  O  O20  1  0.738  0.111  0.107  1.0
  O  O21  1  0.262  0.889  0.893  1.0
  O  O22  1  0.990  0.300  0.224  1.0
  O  O23  1  0.010  0.700  0.776  1.0
  O  O24  1  0.113  0.167  0.395  1.0
  O  O25  1  0.887  0.833  0.605  1.0
  O  O26  1  0.076  0.030  0.217  1.0
  O  O27  1  0.924  0.970  0.783  1.0
  O  O28  1  0.805  0.065  0.332  1.0
  O  O29  1  0.195  0.935  0.668  1.0
  O  O30  1  0.980  0.457  0.607  1.0
  O  O31  1  0.020  0.543  0.393  1.0
  O  O32  1  0.378  0.176  0.612  1.0
  O  O33  1  0.622  0.824  0.388  1.0
  O  O34  1  0.067  0.187  0.607  1.0
  O  O35  1  0.933  0.813  0.393  1.0
  O  O36  1  0.739  0.610  0.494  1.0
  O  O37  1  0.261  0.390  0.506  1.0
  O  O38  1  0.247  0.421  0.740  1.0
  O  O39  1  0.753  0.579  0.260  1.0
  O  O40  1  0.651  0.404  0.562  1.0
  O  O41  1  0.349  0.596  0.438  1.0
  O  O42  1  0.247  0.639  0.940  1.0
  O  O43  1  0.753  0.361  0.060  1.0
  O  O44  1  0.971  0.482  0.847  1.0
  O  O45  1  0.029  0.518  0.153  1.0
  O  O46  1  0.653  0.324  0.786  1.0
  O  O47  1  0.347  0.676  0.214  1.0
  O  O48  1  0.446  0.249  0.043  1.0
  O  O49  1  0.554  0.751  0.957  1.0
  O  O50  1  0.595  0.110  0.861  1.0
  O  O51  1  0.405  0.890  0.139  1.0
[/CIF]
.