The compound described by BF4H2(NS)3 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two BF4 clusters and two H2(NS)3 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) atom. In each H2(NS)3 cluster, there are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one S(2) and one S(3) atom. There are two 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. There are three inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one N(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(3) atom. is represented by the CIF file [CIF]
data_BH2S3N3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   7.475
_cell_length_c   9.752
_cell_angle_alpha   86.087
_cell_angle_beta   83.190
_cell_angle_gamma   83.375
_symmetry_Int_Tables_number   1
_cell_volume   398.882
_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
  B  B0  1  0.066  0.276  0.241  1.0
  B  B1  1  0.934  0.724  0.759  1.0
  H  H2  1  0.248  0.917  0.111  1.0
  H  H3  1  0.752  0.083  0.889  1.0
  H  H4  1  0.705  0.240  0.022  1.0
  H  H5  1  0.295  0.760  0.978  1.0
  S  S6  1  0.362  0.646  0.362  1.0
  S  S7  1  0.638  0.354  0.638  1.0
  S  S8  1  0.310  0.101  0.665  1.0
  S  S9  1  0.690  0.899  0.335  1.0
  S  S10  1  0.546  0.680  0.144  1.0
  S  S11  1  0.454  0.320  0.856  1.0
  N  N12  1  0.350  0.809  0.064  1.0
  N  N13  1  0.650  0.191  0.936  1.0
  N  N14  1  0.521  0.193  0.576  1.0
  N  N15  1  0.479  0.807  0.424  1.0
  N  N16  1  0.257  0.195  0.810  1.0
  N  N17  1  0.743  0.805  0.190  1.0
  F  F18  1  0.846  0.297  0.178  1.0
  F  F19  1  0.154  0.703  0.822  1.0
  F  F20  1  0.173  0.093  0.231  1.0
  F  F21  1  0.827  0.907  0.769  1.0
  F  F22  1  0.231  0.392  0.171  1.0
  F  F23  1  0.769  0.608  0.829  1.0
  F  F24  1  0.018  0.315  0.381  1.0
  F  F25  1  0.982  0.685  0.619  1.0
[/CIF]
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The compound described by BF4H2(NS)3 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two BF4 clusters and two H2(NS)3 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) atom. In each H2(NS)3 cluster, there are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one S(2) and one S(3) atom. There are two 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. There are three inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one N(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(3) atom. is represented by the CIF file [CIF]
data_BH2S3N3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   7.475
_cell_length_c   9.752
_cell_angle_alpha   86.087
_cell_angle_beta   83.190
_cell_angle_gamma   83.375
_symmetry_Int_Tables_number   1
_cell_volume   398.882
_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
  B  B0  1  0.066  0.276  0.241  1.0
  B  B1  1  0.934  0.724  0.759  1.0
  H  H2  1  0.248  0.917  0.111  1.0
  H  H3  1  0.752  0.083  0.889  1.0
  H  H4  1  0.705  0.240  0.022  1.0
  H  H5  1  0.295  0.760  0.978  1.0
  S  S6  1  0.362  0.646  0.362  1.0
  S  S7  1  0.638  0.354  0.638  1.0
  S  S8  1  0.310  0.101  0.665  1.0
  S  S9  1  0.690  0.899  0.335  1.0
  S  S10  1  0.546  0.680  0.144  1.0
  S  S11  1  0.454  0.320  0.856  1.0
  N  N12  1  0.350  0.809  0.064  1.0
  N  N13  1  0.650  0.191  0.936  1.0
  N  N14  1  0.521  0.193  0.576  1.0
  N  N15  1  0.479  0.807  0.424  1.0
  N  N16  1  0.257  0.195  0.810  1.0
  N  N17  1  0.743  0.805  0.190  1.0
  F  F18  1  0.846  0.297  0.178  1.0
  F  F19  1  0.154  0.703  0.822  1.0
  F  F20  1  0.173  0.093  0.231  1.0
  F  F21  1  0.827  0.907  0.769  1.0
  F  F22  1  0.231  0.392  0.171  1.0
  F  F23  1  0.769  0.608  0.829  1.0
  F  F24  1  0.018  0.315  0.381  1.0
  F  F25  1  0.982  0.685  0.619  1.0
[/CIF]
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