The material described by ReCl6(IrN5Cl2)2 is Indium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two rhenium (iv) hexachloride molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir(1) is bonded in a 6-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), and one Cl(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second N site, N(2) is bonded in an L-shaped geometry to one Ir(1) and one Cl(5) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(5) is bonded in a bent 120 degrees geometry to two equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReIr2(NCl)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   11.926
_cell_angle_alpha   76.570
_cell_angle_beta   76.570
_cell_angle_gamma   71.270
_symmetry_Int_Tables_number   1
_cell_volume   591.337
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.666  0.666  0.710  1.0
  Ir  Ir2  1  0.334  0.334  0.290  1.0
  N  N3  1  0.512  0.512  0.768  1.0
  N  N4  1  0.488  0.488  0.232  1.0
  N  N5  1  0.504  0.803  0.549  1.0
  N  N6  1  0.803  0.504  0.549  1.0
  N  N7  1  0.496  0.197  0.451  1.0
  N  N8  1  0.197  0.496  0.451  1.0
  N  N9  1  0.546  0.886  0.765  1.0
  N  N10  1  0.886  0.546  0.765  1.0
  N  N11  1  0.454  0.114  0.235  1.0
  N  N12  1  0.114  0.454  0.235  1.0
  Cl  Cl13  1  0.195  0.195  0.980  1.0
  Cl  Cl14  1  0.805  0.805  0.020  1.0
  Cl  Cl15  1  0.036  0.036  0.801  1.0
  Cl  Cl16  1  0.964  0.964  0.199  1.0
  Cl  Cl17  1  0.731  0.269  0.000  1.0
  Cl  Cl18  1  0.269  0.731  0.000  1.0
  Cl  Cl19  1  0.879  0.879  0.599  1.0
  Cl  Cl20  1  0.121  0.121  0.401  1.0
  Cl  Cl21  1  0.348  0.348  0.520  1.0
  Cl  Cl22  1  0.652  0.652  0.480  1.0
[/CIF]
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The material described by ReCl6(IrN5Cl2)2 is Indium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two rhenium (iv) hexachloride molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir(1) is bonded in a 6-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), and one Cl(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second N site, N(2) is bonded in an L-shaped geometry to one Ir(1) and one Cl(5) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(5) is bonded in a bent 120 degrees geometry to two equivalent N(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReIr2(NCl)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   11.926
_cell_angle_alpha   76.570
_cell_angle_beta   76.570
_cell_angle_gamma   71.270
_symmetry_Int_Tables_number   1
_cell_volume   591.337
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.666  0.666  0.710  1.0
  Ir  Ir2  1  0.334  0.334  0.290  1.0
  N  N3  1  0.512  0.512  0.768  1.0
  N  N4  1  0.488  0.488  0.232  1.0
  N  N5  1  0.504  0.803  0.549  1.0
  N  N6  1  0.803  0.504  0.549  1.0
  N  N7  1  0.496  0.197  0.451  1.0
  N  N8  1  0.197  0.496  0.451  1.0
  N  N9  1  0.546  0.886  0.765  1.0
  N  N10  1  0.886  0.546  0.765  1.0
  N  N11  1  0.454  0.114  0.235  1.0
  N  N12  1  0.114  0.454  0.235  1.0
  Cl  Cl13  1  0.195  0.195  0.980  1.0
  Cl  Cl14  1  0.805  0.805  0.020  1.0
  Cl  Cl15  1  0.036  0.036  0.801  1.0
  Cl  Cl16  1  0.964  0.964  0.199  1.0
  Cl  Cl17  1  0.731  0.269  0.000  1.0
  Cl  Cl18  1  0.269  0.731  0.000  1.0
  Cl  Cl19  1  0.879  0.879  0.599  1.0
  Cl  Cl20  1  0.121  0.121  0.401  1.0
  Cl  Cl21  1  0.348  0.348  0.520  1.0
  Cl  Cl22  1  0.652  0.652  0.480  1.0
[/CIF]
.