The material structure described by CdCNBr3BrCN is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four cyanogen bromide molecules and two CdCNBr3 clusters. In each CdCNBr3 cluster, Cd(1) is bonded to one N(2), one Br(1), and two equivalent Br(3) atoms to form distorted edge-sharing CdBr3N tetrahedra. C(2) is bonded in a linear geometry to one N(2) and one Br(4) atom. N(2) is bonded in a bent 150 degrees geometry to one Cd(1) and one C(2) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second Br site, Br(3) is bonded in a 2-coordinate geometry to two equivalent Cd(1) atoms. In the third Br site, Br(4) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_CdC2(Br2N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.646
_cell_length_b   9.204
_cell_length_c   9.500
_cell_angle_alpha   84.107
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1360.863
_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
  Cd  Cd0  1  0.005  0.029  0.326  1.0
  Cd  Cd1  1  0.505  0.471  0.674  1.0
  Cd  Cd2  1  0.995  0.971  0.674  1.0
  Cd  Cd3  1  0.495  0.529  0.326  1.0
  C  C4  1  0.349  0.875  0.821  1.0
  C  C5  1  0.849  0.625  0.179  1.0
  C  C6  1  0.651  0.125  0.179  1.0
  C  C7  1  0.151  0.375  0.821  1.0
  C  C8  1  0.115  0.729  0.270  1.0
  C  C9  1  0.615  0.771  0.730  1.0
  C  C10  1  0.885  0.271  0.730  1.0
  C  C11  1  0.385  0.229  0.270  1.0
  Br  Br12  1  0.900  0.167  0.170  1.0
  Br  Br13  1  0.400  0.333  0.830  1.0
  Br  Br14  1  0.100  0.833  0.830  1.0
  Br  Br15  1  0.600  0.667  0.170  1.0
  Br  Br16  1  0.133  0.219  0.947  1.0
  Br  Br17  1  0.633  0.281  0.053  1.0
  Br  Br18  1  0.867  0.781  0.053  1.0
  Br  Br19  1  0.367  0.719  0.947  1.0
  Br  Br20  1  0.110  0.151  0.492  1.0
  Br  Br21  1  0.610  0.349  0.508  1.0
  Br  Br22  1  0.890  0.849  0.508  1.0
  Br  Br23  1  0.390  0.651  0.492  1.0
  Br  Br24  1  0.146  0.546  0.322  1.0
  Br  Br25  1  0.646  0.954  0.678  1.0
  Br  Br26  1  0.854  0.454  0.678  1.0
  Br  Br27  1  0.354  0.046  0.322  1.0
  N  N28  1  0.337  0.969  0.732  1.0
  N  N29  1  0.837  0.531  0.268  1.0
  N  N30  1  0.663  0.031  0.268  1.0
  N  N31  1  0.163  0.469  0.732  1.0
  N  N32  1  0.091  0.849  0.240  1.0
  N  N33  1  0.591  0.651  0.760  1.0
  N  N34  1  0.909  0.151  0.760  1.0
  N  N35  1  0.409  0.349  0.240  1.0
[/CIF]
.
The material structure described by CdCNBr3BrCN is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four cyanogen bromide molecules and two CdCNBr3 clusters. In each CdCNBr3 cluster, Cd(1) is bonded to one N(2), one Br(1), and two equivalent Br(3) atoms to form distorted edge-sharing CdBr3N tetrahedra. C(2) is bonded in a linear geometry to one N(2) and one Br(4) atom. N(2) is bonded in a bent 150 degrees geometry to one Cd(1) and one C(2) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second Br site, Br(3) is bonded in a 2-coordinate geometry to two equivalent Cd(1) atoms. In the third Br site, Br(4) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_CdC2(Br2N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.646
_cell_length_b   9.204
_cell_length_c   9.500
_cell_angle_alpha   84.107
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1360.863
_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
  Cd  Cd0  1  0.005  0.029  0.326  1.0
  Cd  Cd1  1  0.505  0.471  0.674  1.0
  Cd  Cd2  1  0.995  0.971  0.674  1.0
  Cd  Cd3  1  0.495  0.529  0.326  1.0
  C  C4  1  0.349  0.875  0.821  1.0
  C  C5  1  0.849  0.625  0.179  1.0
  C  C6  1  0.651  0.125  0.179  1.0
  C  C7  1  0.151  0.375  0.821  1.0
  C  C8  1  0.115  0.729  0.270  1.0
  C  C9  1  0.615  0.771  0.730  1.0
  C  C10  1  0.885  0.271  0.730  1.0
  C  C11  1  0.385  0.229  0.270  1.0
  Br  Br12  1  0.900  0.167  0.170  1.0
  Br  Br13  1  0.400  0.333  0.830  1.0
  Br  Br14  1  0.100  0.833  0.830  1.0
  Br  Br15  1  0.600  0.667  0.170  1.0
  Br  Br16  1  0.133  0.219  0.947  1.0
  Br  Br17  1  0.633  0.281  0.053  1.0
  Br  Br18  1  0.867  0.781  0.053  1.0
  Br  Br19  1  0.367  0.719  0.947  1.0
  Br  Br20  1  0.110  0.151  0.492  1.0
  Br  Br21  1  0.610  0.349  0.508  1.0
  Br  Br22  1  0.890  0.849  0.508  1.0
  Br  Br23  1  0.390  0.651  0.492  1.0
  Br  Br24  1  0.146  0.546  0.322  1.0
  Br  Br25  1  0.646  0.954  0.678  1.0
  Br  Br26  1  0.854  0.454  0.678  1.0
  Br  Br27  1  0.354  0.046  0.322  1.0
  N  N28  1  0.337  0.969  0.732  1.0
  N  N29  1  0.837  0.531  0.268  1.0
  N  N30  1  0.663  0.031  0.268  1.0
  N  N31  1  0.163  0.469  0.732  1.0
  N  N32  1  0.091  0.849  0.240  1.0
  N  N33  1  0.591  0.651  0.760  1.0
  N  N34  1  0.909  0.151  0.760  1.0
  N  N35  1  0.409  0.349  0.240  1.0
[/CIF]
.