The material described by Cr(N2Cl)3CuCl2 crystallizes in the cubic Pn-3m space group. The structure consists of four cupric chloride molecules inside a Cr(N2Cl)3 framework. In the Cr(N2Cl)3 framework, Cr(1) is bonded in a hexagonal planar geometry to six equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Cl(2) atoms. Cl(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCuN6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.136
_cell_length_b   10.136
_cell_length_c   10.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1041.222
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.750  0.250  0.250  1.0
  Cr  Cr1  1  0.250  0.750  0.250  1.0
  Cr  Cr2  1  0.250  0.250  0.750  1.0
  Cr  Cr3  1  0.750  0.750  0.750  1.0
  Cu  Cu4  1  0.250  0.750  0.750  1.0
  Cu  Cu5  1  0.750  0.250  0.750  1.0
  Cu  Cu6  1  0.750  0.750  0.250  1.0
  Cu  Cu7  1  0.250  0.250  0.250  1.0
  N  N8  1  0.868  0.346  0.346  1.0
  N  N9  1  0.132  0.654  0.346  1.0
  N  N10  1  0.132  0.346  0.654  1.0
  N  N11  1  0.868  0.654  0.654  1.0
  N  N12  1  0.346  0.346  0.868  1.0
  N  N13  1  0.654  0.346  0.132  1.0
  N  N14  1  0.346  0.654  0.132  1.0
  N  N15  1  0.654  0.654  0.868  1.0
  N  N16  1  0.346  0.868  0.346  1.0
  N  N17  1  0.346  0.132  0.654  1.0
  N  N18  1  0.654  0.132  0.346  1.0
  N  N19  1  0.654  0.868  0.654  1.0
  N  N20  1  0.632  0.154  0.154  1.0
  N  N21  1  0.368  0.846  0.154  1.0
  N  N22  1  0.368  0.154  0.846  1.0
  N  N23  1  0.632  0.846  0.846  1.0
  N  N24  1  0.154  0.154  0.632  1.0
  N  N25  1  0.846  0.154  0.368  1.0
  N  N26  1  0.154  0.846  0.368  1.0
  N  N27  1  0.846  0.846  0.632  1.0
  N  N28  1  0.154  0.632  0.154  1.0
  N  N29  1  0.154  0.368  0.846  1.0
  N  N30  1  0.846  0.368  0.154  1.0
  N  N31  1  0.846  0.632  0.846  1.0
  Cl  Cl32  1  0.367  0.633  0.633  1.0
  Cl  Cl33  1  0.633  0.367  0.633  1.0
  Cl  Cl34  1  0.633  0.633  0.367  1.0
  Cl  Cl35  1  0.367  0.367  0.367  1.0
  Cl  Cl36  1  0.133  0.867  0.867  1.0
  Cl  Cl37  1  0.867  0.133  0.867  1.0
  Cl  Cl38  1  0.867  0.867  0.133  1.0
  Cl  Cl39  1  0.133  0.133  0.133  1.0
  Cl  Cl40  1  0.000  0.500  0.750  1.0
  Cl  Cl41  1  0.000  0.500  0.250  1.0
  Cl  Cl42  1  0.500  0.750  0.000  1.0
  Cl  Cl43  1  0.500  0.250  0.000  1.0
  Cl  Cl44  1  0.750  0.000  0.500  1.0
  Cl  Cl45  1  0.250  0.000  0.500  1.0
  Cl  Cl46  1  0.500  0.000  0.750  1.0
  Cl  Cl47  1  0.500  0.000  0.250  1.0
  Cl  Cl48  1  0.000  0.750  0.500  1.0
  Cl  Cl49  1  0.000  0.250  0.500  1.0
  Cl  Cl50  1  0.750  0.500  0.000  1.0
  Cl  Cl51  1  0.250  0.500  0.000  1.0
[/CIF]
.
The material described by Cr(N2Cl)3CuCl2 crystallizes in the cubic Pn-3m space group. The structure consists of four cupric chloride molecules inside a Cr(N2Cl)3 framework. In the Cr(N2Cl)3 framework, Cr(1) is bonded in a hexagonal planar geometry to six equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Cl(2) atoms. Cl(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCuN6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.136
_cell_length_b   10.136
_cell_length_c   10.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1041.222
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.750  0.250  0.250  1.0
  Cr  Cr1  1  0.250  0.750  0.250  1.0
  Cr  Cr2  1  0.250  0.250  0.750  1.0
  Cr  Cr3  1  0.750  0.750  0.750  1.0
  Cu  Cu4  1  0.250  0.750  0.750  1.0
  Cu  Cu5  1  0.750  0.250  0.750  1.0
  Cu  Cu6  1  0.750  0.750  0.250  1.0
  Cu  Cu7  1  0.250  0.250  0.250  1.0
  N  N8  1  0.868  0.346  0.346  1.0
  N  N9  1  0.132  0.654  0.346  1.0
  N  N10  1  0.132  0.346  0.654  1.0
  N  N11  1  0.868  0.654  0.654  1.0
  N  N12  1  0.346  0.346  0.868  1.0
  N  N13  1  0.654  0.346  0.132  1.0
  N  N14  1  0.346  0.654  0.132  1.0
  N  N15  1  0.654  0.654  0.868  1.0
  N  N16  1  0.346  0.868  0.346  1.0
  N  N17  1  0.346  0.132  0.654  1.0
  N  N18  1  0.654  0.132  0.346  1.0
  N  N19  1  0.654  0.868  0.654  1.0
  N  N20  1  0.632  0.154  0.154  1.0
  N  N21  1  0.368  0.846  0.154  1.0
  N  N22  1  0.368  0.154  0.846  1.0
  N  N23  1  0.632  0.846  0.846  1.0
  N  N24  1  0.154  0.154  0.632  1.0
  N  N25  1  0.846  0.154  0.368  1.0
  N  N26  1  0.154  0.846  0.368  1.0
  N  N27  1  0.846  0.846  0.632  1.0
  N  N28  1  0.154  0.632  0.154  1.0
  N  N29  1  0.154  0.368  0.846  1.0
  N  N30  1  0.846  0.368  0.154  1.0
  N  N31  1  0.846  0.632  0.846  1.0
  Cl  Cl32  1  0.367  0.633  0.633  1.0
  Cl  Cl33  1  0.633  0.367  0.633  1.0
  Cl  Cl34  1  0.633  0.633  0.367  1.0
  Cl  Cl35  1  0.367  0.367  0.367  1.0
  Cl  Cl36  1  0.133  0.867  0.867  1.0
  Cl  Cl37  1  0.867  0.133  0.867  1.0
  Cl  Cl38  1  0.867  0.867  0.133  1.0
  Cl  Cl39  1  0.133  0.133  0.133  1.0
  Cl  Cl40  1  0.000  0.500  0.750  1.0
  Cl  Cl41  1  0.000  0.500  0.250  1.0
  Cl  Cl42  1  0.500  0.750  0.000  1.0
  Cl  Cl43  1  0.500  0.250  0.000  1.0
  Cl  Cl44  1  0.750  0.000  0.500  1.0
  Cl  Cl45  1  0.250  0.000  0.500  1.0
  Cl  Cl46  1  0.500  0.000  0.750  1.0
  Cl  Cl47  1  0.500  0.000  0.250  1.0
  Cl  Cl48  1  0.000  0.750  0.500  1.0
  Cl  Cl49  1  0.000  0.250  0.500  1.0
  Cl  Cl50  1  0.750  0.500  0.000  1.0
  Cl  Cl51  1  0.250  0.500  0.000  1.0
[/CIF]
.