The crystal structure described by CN2CTeSe2(NCl)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cyanamide molecules and two CTeSe2(NCl)2 clusters. In each CTeSe2(NCl)2 cluster, C(2) is bonded in a linear geometry to one N(3) and one N(4) atom. There are two inequivalent N sites. In the first N site, N(3) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(4) is bonded in a bent 120 degrees geometry to one C(2) and one Se(2) atom. Te(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(2), and one Cl(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Te(1) and one Cl(2) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one N(4) and one Te(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TeC2Se2(N2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.208
_cell_length_b   7.292
_cell_length_c   11.231
_cell_angle_alpha   90.144
_cell_angle_beta   105.476
_cell_angle_gamma   90.579
_symmetry_Int_Tables_number   1
_cell_volume   568.839
_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
  Te  Te0  1  0.088  0.790  0.113  1.0
  Te  Te1  1  0.912  0.210  0.887  1.0
  C  C2  1  0.827  0.304  0.199  1.0
  C  C3  1  0.173  0.696  0.801  1.0
  C  C4  1  0.544  0.669  0.339  1.0
  C  C5  1  0.456  0.331  0.661  1.0
  Se  Se6  1  0.050  0.931  0.314  1.0
  Se  Se7  1  0.950  0.069  0.686  1.0
  Se  Se8  1  0.395  0.997  0.265  1.0
  Se  Se9  1  0.605  0.003  0.735  1.0
  N  N10  1  0.773  0.158  0.143  1.0
  N  N11  1  0.227  0.842  0.857  1.0
  N  N12  1  0.887  0.447  0.257  1.0
  N  N13  1  0.113  0.553  0.743  1.0
  N  N14  1  0.543  0.507  0.324  1.0
  N  N15  1  0.457  0.493  0.676  1.0
  N  N16  1  0.557  0.845  0.365  1.0
  N  N17  1  0.443  0.155  0.635  1.0
  Cl  Cl18  1  0.765  0.665  1.000  1.0
  Cl  Cl19  1  0.235  0.335  0.000  1.0
  Cl  Cl20  1  0.186  0.751  0.469  1.0
  Cl  Cl21  1  0.814  0.249  0.531  1.0
[/CIF]
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The crystal structure described by CN2CTeSe2(NCl)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cyanamide molecules and two CTeSe2(NCl)2 clusters. In each CTeSe2(NCl)2 cluster, C(2) is bonded in a linear geometry to one N(3) and one N(4) atom. There are two inequivalent N sites. In the first N site, N(3) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(4) is bonded in a bent 120 degrees geometry to one C(2) and one Se(2) atom. Te(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(2), and one Cl(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Te(1) and one Cl(2) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one N(4) and one Te(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TeC2Se2(N2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.208
_cell_length_b   7.292
_cell_length_c   11.231
_cell_angle_alpha   90.144
_cell_angle_beta   105.476
_cell_angle_gamma   90.579
_symmetry_Int_Tables_number   1
_cell_volume   568.839
_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
  Te  Te0  1  0.088  0.790  0.113  1.0
  Te  Te1  1  0.912  0.210  0.887  1.0
  C  C2  1  0.827  0.304  0.199  1.0
  C  C3  1  0.173  0.696  0.801  1.0
  C  C4  1  0.544  0.669  0.339  1.0
  C  C5  1  0.456  0.331  0.661  1.0
  Se  Se6  1  0.050  0.931  0.314  1.0
  Se  Se7  1  0.950  0.069  0.686  1.0
  Se  Se8  1  0.395  0.997  0.265  1.0
  Se  Se9  1  0.605  0.003  0.735  1.0
  N  N10  1  0.773  0.158  0.143  1.0
  N  N11  1  0.227  0.842  0.857  1.0
  N  N12  1  0.887  0.447  0.257  1.0
  N  N13  1  0.113  0.553  0.743  1.0
  N  N14  1  0.543  0.507  0.324  1.0
  N  N15  1  0.457  0.493  0.676  1.0
  N  N16  1  0.557  0.845  0.365  1.0
  N  N17  1  0.443  0.155  0.635  1.0
  Cl  Cl18  1  0.765  0.665  1.000  1.0
  Cl  Cl19  1  0.235  0.335  0.000  1.0
  Cl  Cl20  1  0.186  0.751  0.469  1.0
  Cl  Cl21  1  0.814  0.249  0.531  1.0
[/CIF]
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