The material described by C3BiH6(NS2)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bismuth dithiocarbamate molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one S(6) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2), one S(2), and one S(3) atom. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(3), one S(4), and one S(5) atom. Bi(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one H(3), and one H(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(3), one H(5), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(1) and one Bi(1) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(2) and one Bi(1) atom. In the third S site, S(3) is bonded in a distorted L-shaped geometry to one C(2) and one Bi(1) atom. In the fourth S site, S(4) is bonded in a distorted L-shaped geometry to one C(3) and one Bi(1) atom. In the fifth S site, S(5) is bonded in an L-shaped geometry to one C(3) and one Bi(1) atom. In the sixth S site, S(6) is bonded in an L-shaped geometry to one C(1) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiH6C3(S2N)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   8.524
_cell_length_c   12.934
_cell_angle_alpha   102.918
_cell_angle_beta   95.215
_cell_angle_gamma   94.202
_symmetry_Int_Tables_number   1
_cell_volume   664.299
_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
  Bi  Bi0  1  0.961  0.358  0.813  1.0
  Bi  Bi1  1  0.039  0.642  0.187  1.0
  H  H2  1  0.462  0.751  0.663  1.0
  H  H3  1  0.538  0.249  0.337  1.0
  H  H4  1  0.637  0.708  0.764  1.0
  H  H5  1  0.363  0.292  0.236  1.0
  H  H6  1  0.664  0.038  0.081  1.0
  H  H7  1  0.336  0.962  0.919  1.0
  H  H8  1  0.907  0.131  0.153  1.0
  H  H9  1  0.093  0.869  0.847  1.0
  H  H10  1  0.690  0.863  0.504  1.0
  H  H11  1  0.310  0.137  0.496  1.0
  H  H12  1  0.924  0.803  0.565  1.0
  H  H13  1  0.076  0.197  0.435  1.0
  C  C14  1  0.337  0.581  0.738  1.0
  C  C15  1  0.663  0.419  0.262  1.0
  C  C16  1  0.849  0.177  0.004  1.0
  C  C17  1  0.151  0.823  0.996  1.0
  C  C18  1  0.861  0.038  0.623  1.0
  C  C19  1  0.139  0.962  0.377  1.0
  S  S20  1  0.397  0.478  0.835  1.0
  S  S21  1  0.603  0.522  0.165  1.0
  S  S22  1  0.674  0.138  0.890  1.0
  S  S23  1  0.326  0.862  0.110  1.0
  S  S24  1  0.091  0.298  0.018  1.0
  S  S25  1  0.909  0.702  0.982  1.0
  S  S26  1  0.688  0.182  0.618  1.0
  S  S27  1  0.312  0.818  0.382  1.0
  S  S28  1  0.100  0.081  0.708  1.0
  S  S29  1  0.900  0.919  0.292  1.0
  S  S30  1  0.088  0.555  0.665  1.0
  S  S31  1  0.912  0.445  0.335  1.0
  N  N32  1  0.493  0.684  0.718  1.0
  N  N33  1  0.507  0.316  0.282  1.0
  N  N34  1  0.802  0.113  0.085  1.0
  N  N35  1  0.198  0.887  0.915  1.0
  N  N36  1  0.817  0.887  0.563  1.0
  N  N37  1  0.183  0.113  0.437  1.0
[/CIF]
.
The material described by C3BiH6(NS2)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bismuth dithiocarbamate molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one S(6) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2), one S(2), and one S(3) atom. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(3), one S(4), and one S(5) atom. Bi(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one H(3), and one H(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(3), one H(5), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(1) and one Bi(1) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(2) and one Bi(1) atom. In the third S site, S(3) is bonded in a distorted L-shaped geometry to one C(2) and one Bi(1) atom. In the fourth S site, S(4) is bonded in a distorted L-shaped geometry to one C(3) and one Bi(1) atom. In the fifth S site, S(5) is bonded in an L-shaped geometry to one C(3) and one Bi(1) atom. In the sixth S site, S(6) is bonded in an L-shaped geometry to one C(1) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiH6C3(S2N)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   8.524
_cell_length_c   12.934
_cell_angle_alpha   102.918
_cell_angle_beta   95.215
_cell_angle_gamma   94.202
_symmetry_Int_Tables_number   1
_cell_volume   664.299
_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
  Bi  Bi0  1  0.961  0.358  0.813  1.0
  Bi  Bi1  1  0.039  0.642  0.187  1.0
  H  H2  1  0.462  0.751  0.663  1.0
  H  H3  1  0.538  0.249  0.337  1.0
  H  H4  1  0.637  0.708  0.764  1.0
  H  H5  1  0.363  0.292  0.236  1.0
  H  H6  1  0.664  0.038  0.081  1.0
  H  H7  1  0.336  0.962  0.919  1.0
  H  H8  1  0.907  0.131  0.153  1.0
  H  H9  1  0.093  0.869  0.847  1.0
  H  H10  1  0.690  0.863  0.504  1.0
  H  H11  1  0.310  0.137  0.496  1.0
  H  H12  1  0.924  0.803  0.565  1.0
  H  H13  1  0.076  0.197  0.435  1.0
  C  C14  1  0.337  0.581  0.738  1.0
  C  C15  1  0.663  0.419  0.262  1.0
  C  C16  1  0.849  0.177  0.004  1.0
  C  C17  1  0.151  0.823  0.996  1.0
  C  C18  1  0.861  0.038  0.623  1.0
  C  C19  1  0.139  0.962  0.377  1.0
  S  S20  1  0.397  0.478  0.835  1.0
  S  S21  1  0.603  0.522  0.165  1.0
  S  S22  1  0.674  0.138  0.890  1.0
  S  S23  1  0.326  0.862  0.110  1.0
  S  S24  1  0.091  0.298  0.018  1.0
  S  S25  1  0.909  0.702  0.982  1.0
  S  S26  1  0.688  0.182  0.618  1.0
  S  S27  1  0.312  0.818  0.382  1.0
  S  S28  1  0.100  0.081  0.708  1.0
  S  S29  1  0.900  0.919  0.292  1.0
  S  S30  1  0.088  0.555  0.665  1.0
  S  S31  1  0.912  0.445  0.335  1.0
  N  N32  1  0.493  0.684  0.718  1.0
  N  N33  1  0.507  0.316  0.282  1.0
  N  N34  1  0.802  0.113  0.085  1.0
  N  N35  1  0.198  0.887  0.915  1.0
  N  N36  1  0.817  0.887  0.563  1.0
  N  N37  1  0.183  0.113  0.437  1.0
[/CIF]
.