The structure described by CN2CN2SC2TeS2(N2Br)2TeSBr2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one cyanamide molecule, one C2TeS2(N2Br)2 cluster, one CN2S cluster, and one TeSBr2 cluster. In the C2TeS2(N2Br)2 cluster, there are two inequivalent C sites. In the first C site, C(3) is bonded in a 3-coordinate geometry to one N(3), one N(7), and one S(3) atom. In the second C site, C(4) is bonded in a 3-coordinate geometry to one N(4), one N(8), and one S(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one C(3) and one N(7) atom. In the second N site, N(4) is bonded in a 2-coordinate geometry to one C(4) and one N(8) atom. In the third N site, N(7) is bonded in a 2-coordinate geometry to one C(3) and one N(3) atom. In the fourth N site, N(8) is bonded in a 2-coordinate geometry to one C(4) and one N(4) atom. Te(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3), one S(4), one Br(3), and one Br(4) atom. There are two inequivalent S sites. In the first S site, S(3) is bonded in a water-like geometry to one C(3) and one Te(2) atom. In the second S site, S(4) is bonded in a water-like geometry to one C(4) and one Te(2) atom. There are two inequivalent Br sites. In the first Br site, Br(3) is bonded in a single-bond geometry to one Te(2) atom. In the second Br site, Br(4) is bonded in a single-bond geometry to one Te(2) atom. In the CN2S cluster, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(5), and one S(1) atom. There are two inequivalent N sites. In the first N site, N(5) is bonded in a 2-coordinate geometry to one C(1) and one N(1) atom. In the second N site, N(1) is bonded in a 2-coordinate geometry to one C(1) and one N(5) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. In the TeSBr2 cluster, Te(1) is bonded in a trigonal non-coplanar geometry to one S(2), one Br(1), and one Br(2) atom. S(2) is bonded in a single-bond geometry to one Te(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF file [CIF]
data_TeC2S2(BrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.201
_cell_length_b   9.225
_cell_length_c   11.318
_cell_angle_alpha   68.548
_cell_angle_beta   68.938
_cell_angle_gamma   65.277
_symmetry_Int_Tables_number   1
_cell_volume   701.995
_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  0.118  0.781  0.206  1.0
  Te  Te1  1  0.896  0.257  0.758  1.0
  C  C2  1  0.216  0.753  0.546  1.0
  C  C3  1  0.537  0.826  0.849  1.0
  C  C4  1  0.769  0.266  0.460  1.0
  C  C5  1  0.494  0.238  0.041  1.0
  S  S6  1  0.245  0.882  0.407  1.0
  S  S7  1  0.383  0.571  0.219  1.0
  S  S8  1  0.720  0.164  0.608  1.0
  S  S9  1  0.494  0.346  0.894  1.0
  Br  Br10  1  0.864  0.730  0.420  1.0
  Br  Br11  1  0.987  0.706  0.070  1.0
  Br  Br12  1  0.215  0.208  0.593  1.0
  Br  Br13  1  0.970  0.304  0.941  1.0
  N  N14  1  0.243  0.682  0.672  1.0
  N  N15  1  0.676  0.737  0.787  1.0
  N  N16  1  0.761  0.312  0.330  1.0
  N  N17  1  0.405  0.199  0.173  1.0
  N  N18  1  0.155  0.624  0.636  1.0
  N  N19  1  0.400  0.915  0.912  1.0
  N  N20  1  0.852  0.375  0.360  1.0
  N  N21  1  0.580  0.115  0.137  1.0
[/CIF]
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The structure described by CN2CN2SC2TeS2(N2Br)2TeSBr2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one cyanamide molecule, one C2TeS2(N2Br)2 cluster, one CN2S cluster, and one TeSBr2 cluster. In the C2TeS2(N2Br)2 cluster, there are two inequivalent C sites. In the first C site, C(3) is bonded in a 3-coordinate geometry to one N(3), one N(7), and one S(3) atom. In the second C site, C(4) is bonded in a 3-coordinate geometry to one N(4), one N(8), and one S(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one C(3) and one N(7) atom. In the second N site, N(4) is bonded in a 2-coordinate geometry to one C(4) and one N(8) atom. In the third N site, N(7) is bonded in a 2-coordinate geometry to one C(3) and one N(3) atom. In the fourth N site, N(8) is bonded in a 2-coordinate geometry to one C(4) and one N(4) atom. Te(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3), one S(4), one Br(3), and one Br(4) atom. There are two inequivalent S sites. In the first S site, S(3) is bonded in a water-like geometry to one C(3) and one Te(2) atom. In the second S site, S(4) is bonded in a water-like geometry to one C(4) and one Te(2) atom. There are two inequivalent Br sites. In the first Br site, Br(3) is bonded in a single-bond geometry to one Te(2) atom. In the second Br site, Br(4) is bonded in a single-bond geometry to one Te(2) atom. In the CN2S cluster, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(5), and one S(1) atom. There are two inequivalent N sites. In the first N site, N(5) is bonded in a 2-coordinate geometry to one C(1) and one N(1) atom. In the second N site, N(1) is bonded in a 2-coordinate geometry to one C(1) and one N(5) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. In the TeSBr2 cluster, Te(1) is bonded in a trigonal non-coplanar geometry to one S(2), one Br(1), and one Br(2) atom. S(2) is bonded in a single-bond geometry to one Te(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF file [CIF]
data_TeC2S2(BrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.201
_cell_length_b   9.225
_cell_length_c   11.318
_cell_angle_alpha   68.548
_cell_angle_beta   68.938
_cell_angle_gamma   65.277
_symmetry_Int_Tables_number   1
_cell_volume   701.995
_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  0.118  0.781  0.206  1.0
  Te  Te1  1  0.896  0.257  0.758  1.0
  C  C2  1  0.216  0.753  0.546  1.0
  C  C3  1  0.537  0.826  0.849  1.0
  C  C4  1  0.769  0.266  0.460  1.0
  C  C5  1  0.494  0.238  0.041  1.0
  S  S6  1  0.245  0.882  0.407  1.0
  S  S7  1  0.383  0.571  0.219  1.0
  S  S8  1  0.720  0.164  0.608  1.0
  S  S9  1  0.494  0.346  0.894  1.0
  Br  Br10  1  0.864  0.730  0.420  1.0
  Br  Br11  1  0.987  0.706  0.070  1.0
  Br  Br12  1  0.215  0.208  0.593  1.0
  Br  Br13  1  0.970  0.304  0.941  1.0
  N  N14  1  0.243  0.682  0.672  1.0
  N  N15  1  0.676  0.737  0.787  1.0
  N  N16  1  0.761  0.312  0.330  1.0
  N  N17  1  0.405  0.199  0.173  1.0
  N  N18  1  0.155  0.624  0.636  1.0
  N  N19  1  0.400  0.915  0.912  1.0
  N  N20  1  0.852  0.375  0.360  1.0
  N  N21  1  0.580  0.115  0.137  1.0
[/CIF]
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