The material described by Ir(NCl)4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir(NCl)4 cluster. Ir(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(4), one Cl(1), and one Cl(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Ir(1) and one Cl(4) atom. In the second N site, N(2) is bonded in a water-like geometry to one Cl(3) and one Cl(4) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one Ir(1) atom. There are four 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 single-bond geometry to one Ir(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to one N(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(NCl)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   6.142
_cell_length_c   7.404
_cell_angle_alpha   111.998
_cell_angle_beta   108.225
_cell_angle_gamma   92.784
_symmetry_Int_Tables_number   1
_cell_volume   221.690
_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
  Ir  Ir0  1  0.560  0.363  0.725  1.0
  N  N1  1  0.531  0.265  0.427  1.0
  N  N2  1  0.729  0.590  0.277  1.0
  N  N3  1  0.792  0.293  0.901  1.0
  N  N4  1  0.425  0.598  0.844  1.0
  Cl  Cl5  1  0.231  0.045  0.614  1.0
  Cl  Cl6  1  0.899  0.699  0.820  1.0
  Cl  Cl7  1  0.479  0.672  0.318  1.0
  Cl  Cl8  1  0.751  0.295  0.344  1.0
[/CIF]
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The material described by Ir(NCl)4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir(NCl)4 cluster. Ir(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(4), one Cl(1), and one Cl(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Ir(1) and one Cl(4) atom. In the second N site, N(2) is bonded in a water-like geometry to one Cl(3) and one Cl(4) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one Ir(1) atom. There are four 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 single-bond geometry to one Ir(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to one N(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(NCl)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   6.142
_cell_length_c   7.404
_cell_angle_alpha   111.998
_cell_angle_beta   108.225
_cell_angle_gamma   92.784
_symmetry_Int_Tables_number   1
_cell_volume   221.690
_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
  Ir  Ir0  1  0.560  0.363  0.725  1.0
  N  N1  1  0.531  0.265  0.427  1.0
  N  N2  1  0.729  0.590  0.277  1.0
  N  N3  1  0.792  0.293  0.901  1.0
  N  N4  1  0.425  0.598  0.844  1.0
  Cl  Cl5  1  0.231  0.045  0.614  1.0
  Cl  Cl6  1  0.899  0.699  0.820  1.0
  Cl  Cl7  1  0.479  0.672  0.318  1.0
  Cl  Cl8  1  0.751  0.295  0.344  1.0
[/CIF]
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