The compound described by CN2SC2TeS2(N2I)2CTeS(NI)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one C2TeS2(N2I)2 cluster, one CN2S cluster, and one CTeS(NI)2 cluster. In the C2TeS2(N2I)2 cluster, there are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(5), and one S(1) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(2), one N(6), and one S(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(1) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one C(2) and one N(6) atom. In the third N site, N(5) is bonded in a single-bond geometry to one C(1) atom. In the fourth N site, N(6) is bonded in a distorted single-bond geometry to one C(2) and one N(2) atom. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), one I(1), and one I(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one C(1) and one Te(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(2) and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Te(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Te(1) atom. In the CN2S cluster, C(3) is bonded in a 3-coordinate geometry to one N(3), one N(7), and one S(3) atom. There are two 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(7) is bonded in a distorted single-bond geometry to one C(3) and one N(3) atom. S(3) is bonded in a single-bond geometry to one C(3) atom. In the CTeS(NI)2 cluster, C(4) is bonded in a linear geometry to one N(4) and one N(8) atom. There are two inequivalent N sites. In the first N site, N(4) is bonded in a distorted single-bond geometry to one C(4) and one I(3) atom. In the second N site, N(8) is bonded in a single-bond geometry to one C(4) atom. Te(2) is bonded in a 3-coordinate geometry to one S(4), one I(3), and one I(4) atom. S(4) is bonded in a single-bond geometry to one Te(2) atom. There are two inequivalent I sites. In the first I site, I(3) is bonded in a bent 150 degrees geometry to one N(4) and one Te(2) atom. In the second I site, I(4) is bonded in a single-bond geometry to one Te(2) atom. is represented by the CIF file [CIF]
data_TeC2S2(IN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   9.462
_cell_length_c   10.590
_cell_angle_alpha   71.915
_cell_angle_beta   68.743
_cell_angle_gamma   69.041
_symmetry_Int_Tables_number   1
_cell_volume   716.261
_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  0.123  0.214  0.750  1.0
  Te  Te1  1  0.891  0.780  0.221  1.0
  C  C2  1  0.488  0.299  0.426  1.0
  C  C3  1  0.236  0.232  0.036  1.0
  C  C4  1  0.497  0.761  0.522  1.0
  C  C5  1  0.780  0.833  0.839  1.0
  S  S6  1  0.451  0.179  0.606  1.0
  S  S7  1  0.280  0.341  0.886  1.0
  S  S8  1  0.484  0.895  0.388  1.0
  S  S9  1  0.842  0.553  0.250  1.0
  I  I10  1  0.989  0.168  0.566  1.0
  I  I11  1  0.794  0.315  0.957  1.0
  I  I12  1  0.923  0.779  0.484  1.0
  I  I13  1  0.261  0.713  0.077  1.0
  N  N14  1  0.635  0.233  0.342  1.0
  N  N15  1  0.248  0.173  0.171  1.0
  N  N16  1  0.427  0.691  0.658  1.0
  N  N17  1  0.813  0.734  0.770  1.0
  N  N18  1  0.369  0.432  0.416  1.0
  N  N19  1  0.157  0.118  0.129  1.0
  N  N20  1  0.592  0.626  0.594  1.0
  N  N21  1  0.747  0.921  0.914  1.0
[/CIF]
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The compound described by CN2SC2TeS2(N2I)2CTeS(NI)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one C2TeS2(N2I)2 cluster, one CN2S cluster, and one CTeS(NI)2 cluster. In the C2TeS2(N2I)2 cluster, there are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(5), and one S(1) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(2), one N(6), and one S(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(1) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one C(2) and one N(6) atom. In the third N site, N(5) is bonded in a single-bond geometry to one C(1) atom. In the fourth N site, N(6) is bonded in a distorted single-bond geometry to one C(2) and one N(2) atom. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), one I(1), and one I(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one C(1) and one Te(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(2) and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Te(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Te(1) atom. In the CN2S cluster, C(3) is bonded in a 3-coordinate geometry to one N(3), one N(7), and one S(3) atom. There are two 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(7) is bonded in a distorted single-bond geometry to one C(3) and one N(3) atom. S(3) is bonded in a single-bond geometry to one C(3) atom. In the CTeS(NI)2 cluster, C(4) is bonded in a linear geometry to one N(4) and one N(8) atom. There are two inequivalent N sites. In the first N site, N(4) is bonded in a distorted single-bond geometry to one C(4) and one I(3) atom. In the second N site, N(8) is bonded in a single-bond geometry to one C(4) atom. Te(2) is bonded in a 3-coordinate geometry to one S(4), one I(3), and one I(4) atom. S(4) is bonded in a single-bond geometry to one Te(2) atom. There are two inequivalent I sites. In the first I site, I(3) is bonded in a bent 150 degrees geometry to one N(4) and one Te(2) atom. In the second I site, I(4) is bonded in a single-bond geometry to one Te(2) atom. is represented by the CIF file [CIF]
data_TeC2S2(IN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   9.462
_cell_length_c   10.590
_cell_angle_alpha   71.915
_cell_angle_beta   68.743
_cell_angle_gamma   69.041
_symmetry_Int_Tables_number   1
_cell_volume   716.261
_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  0.123  0.214  0.750  1.0
  Te  Te1  1  0.891  0.780  0.221  1.0
  C  C2  1  0.488  0.299  0.426  1.0
  C  C3  1  0.236  0.232  0.036  1.0
  C  C4  1  0.497  0.761  0.522  1.0
  C  C5  1  0.780  0.833  0.839  1.0
  S  S6  1  0.451  0.179  0.606  1.0
  S  S7  1  0.280  0.341  0.886  1.0
  S  S8  1  0.484  0.895  0.388  1.0
  S  S9  1  0.842  0.553  0.250  1.0
  I  I10  1  0.989  0.168  0.566  1.0
  I  I11  1  0.794  0.315  0.957  1.0
  I  I12  1  0.923  0.779  0.484  1.0
  I  I13  1  0.261  0.713  0.077  1.0
  N  N14  1  0.635  0.233  0.342  1.0
  N  N15  1  0.248  0.173  0.171  1.0
  N  N16  1  0.427  0.691  0.658  1.0
  N  N17  1  0.813  0.734  0.770  1.0
  N  N18  1  0.369  0.432  0.416  1.0
  N  N19  1  0.157  0.118  0.129  1.0
  N  N20  1  0.592  0.626  0.594  1.0
  N  N21  1  0.747  0.921  0.914  1.0
[/CIF]
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