The material described by (IrN2S2(OCl)4)2N2(NO)4 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ammonia atoms, four nitroxyl molecules, and two IrN2S2(OCl)4 clusters. In each IrN2S2(OCl)4 cluster, Ir(1) is bonded in an octahedral geometry to two equivalent S(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. N(1) is bonded in a single-bond geometry to one Cl(2) atom. S(1) is bonded in a distorted trigonal planar geometry to one Ir(1), one O(2), and one O(3) atom. There are two inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Ir(1) and one N(1) atom. is represented by the CIF card [CIF]
data_IrS2N5(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   8.703
_cell_length_c   14.301
_cell_angle_alpha   64.265
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.180
_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
  Ir  Ir0  1  0.500  0.000  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.089  0.098  0.835  1.0
  S  S3  1  0.411  0.098  0.335  1.0
  S  S4  1  0.911  0.902  0.165  1.0
  S  S5  1  0.589  0.902  0.665  1.0
  N  N6  1  0.106  0.775  0.602  1.0
  N  N7  1  0.394  0.775  0.102  1.0
  N  N8  1  0.894  0.225  0.398  1.0
  N  N9  1  0.606  0.225  0.898  1.0
  N  N10  1  0.191  0.484  0.876  1.0
  N  N11  1  0.309  0.484  0.376  1.0
  N  N12  1  0.809  0.516  0.124  1.0
  N  N13  1  0.691  0.516  0.624  1.0
  N  N14  1  0.500  0.500  0.000  1.0
  N  N15  1  0.000  0.500  0.500  1.0
  Cl  Cl16  1  0.306  0.182  0.530  1.0
  Cl  Cl17  1  0.194  0.182  0.030  1.0
  Cl  Cl18  1  0.694  0.818  0.470  1.0
  Cl  Cl19  1  0.806  0.818  0.970  1.0
  Cl  Cl20  1  0.278  0.757  0.551  1.0
  Cl  Cl21  1  0.222  0.757  0.051  1.0
  Cl  Cl22  1  0.722  0.243  0.449  1.0
  Cl  Cl23  1  0.778  0.243  0.949  1.0
  O  O24  1  0.168  0.477  0.798  1.0
  O  O25  1  0.332  0.477  0.298  1.0
  O  O26  1  0.832  0.523  0.202  1.0
  O  O27  1  0.668  0.523  0.702  1.0
  O  O28  1  0.970  0.170  0.749  1.0
  O  O29  1  0.530  0.170  0.249  1.0
  O  O30  1  0.030  0.830  0.251  1.0
  O  O31  1  0.470  0.830  0.751  1.0
  O  O32  1  0.268  0.088  0.815  1.0
  O  O33  1  0.232  0.088  0.315  1.0
  O  O34  1  0.732  0.912  0.185  1.0
  O  O35  1  0.768  0.912  0.685  1.0
[/CIF]
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The material described by (IrN2S2(OCl)4)2N2(NO)4 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ammonia atoms, four nitroxyl molecules, and two IrN2S2(OCl)4 clusters. In each IrN2S2(OCl)4 cluster, Ir(1) is bonded in an octahedral geometry to two equivalent S(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. N(1) is bonded in a single-bond geometry to one Cl(2) atom. S(1) is bonded in a distorted trigonal planar geometry to one Ir(1), one O(2), and one O(3) atom. There are two inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Ir(1) and one N(1) atom. is represented by the CIF card [CIF]
data_IrS2N5(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   8.703
_cell_length_c   14.301
_cell_angle_alpha   64.265
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.180
_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
  Ir  Ir0  1  0.500  0.000  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.089  0.098  0.835  1.0
  S  S3  1  0.411  0.098  0.335  1.0
  S  S4  1  0.911  0.902  0.165  1.0
  S  S5  1  0.589  0.902  0.665  1.0
  N  N6  1  0.106  0.775  0.602  1.0
  N  N7  1  0.394  0.775  0.102  1.0
  N  N8  1  0.894  0.225  0.398  1.0
  N  N9  1  0.606  0.225  0.898  1.0
  N  N10  1  0.191  0.484  0.876  1.0
  N  N11  1  0.309  0.484  0.376  1.0
  N  N12  1  0.809  0.516  0.124  1.0
  N  N13  1  0.691  0.516  0.624  1.0
  N  N14  1  0.500  0.500  0.000  1.0
  N  N15  1  0.000  0.500  0.500  1.0
  Cl  Cl16  1  0.306  0.182  0.530  1.0
  Cl  Cl17  1  0.194  0.182  0.030  1.0
  Cl  Cl18  1  0.694  0.818  0.470  1.0
  Cl  Cl19  1  0.806  0.818  0.970  1.0
  Cl  Cl20  1  0.278  0.757  0.551  1.0
  Cl  Cl21  1  0.222  0.757  0.051  1.0
  Cl  Cl22  1  0.722  0.243  0.449  1.0
  Cl  Cl23  1  0.778  0.243  0.949  1.0
  O  O24  1  0.168  0.477  0.798  1.0
  O  O25  1  0.332  0.477  0.298  1.0
  O  O26  1  0.832  0.523  0.202  1.0
  O  O27  1  0.668  0.523  0.702  1.0
  O  O28  1  0.970  0.170  0.749  1.0
  O  O29  1  0.530  0.170  0.249  1.0
  O  O30  1  0.030  0.830  0.251  1.0
  O  O31  1  0.470  0.830  0.751  1.0
  O  O32  1  0.268  0.088  0.815  1.0
  O  O33  1  0.232  0.088  0.315  1.0
  O  O34  1  0.732  0.912  0.185  1.0
  O  O35  1  0.768  0.912  0.685  1.0
[/CIF]
.