The compound described by CNS2F5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two isothiocyanatosulfur pentafluoride molecules. C(1) is bonded in a distorted single-bond geometry to one N(1) and one S(2) atom. N(1) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in an octahedral geometry to one N(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(1) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_CS2NF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   7.551
_cell_length_c   8.186
_cell_angle_alpha   97.155
_cell_angle_beta   90.570
_cell_angle_gamma   92.396
_symmetry_Int_Tables_number   1
_cell_volume   306.949
_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
  C  C0  1  0.624  0.493  0.221  1.0
  C  C1  1  0.376  0.507  0.779  1.0
  S  S2  1  0.120  0.193  0.774  1.0
  S  S3  1  0.880  0.807  0.226  1.0
  S  S4  1  0.494  0.331  0.293  1.0
  S  S5  1  0.506  0.669  0.707  1.0
  N  N6  1  0.721  0.613  0.149  1.0
  N  N7  1  0.279  0.387  0.851  1.0
  F  F8  1  0.271  0.092  0.907  1.0
  F  F9  1  0.729  0.908  0.093  1.0
  F  F10  1  0.120  0.767  0.100  1.0
  F  F11  1  0.033  0.995  0.294  1.0
  F  F12  1  0.960  0.284  0.635  1.0
  F  F13  1  0.880  0.233  0.900  1.0
  F  F14  1  0.967  0.005  0.706  1.0
  F  F15  1  0.040  0.716  0.365  1.0
  F  F16  1  0.354  0.141  0.643  1.0
  F  F17  1  0.646  0.859  0.357  1.0
[/CIF]
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The compound described by CNS2F5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two isothiocyanatosulfur pentafluoride molecules. C(1) is bonded in a distorted single-bond geometry to one N(1) and one S(2) atom. N(1) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in an octahedral geometry to one N(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(1) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_CS2NF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   7.551
_cell_length_c   8.186
_cell_angle_alpha   97.155
_cell_angle_beta   90.570
_cell_angle_gamma   92.396
_symmetry_Int_Tables_number   1
_cell_volume   306.949
_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
  C  C0  1  0.624  0.493  0.221  1.0
  C  C1  1  0.376  0.507  0.779  1.0
  S  S2  1  0.120  0.193  0.774  1.0
  S  S3  1  0.880  0.807  0.226  1.0
  S  S4  1  0.494  0.331  0.293  1.0
  S  S5  1  0.506  0.669  0.707  1.0
  N  N6  1  0.721  0.613  0.149  1.0
  N  N7  1  0.279  0.387  0.851  1.0
  F  F8  1  0.271  0.092  0.907  1.0
  F  F9  1  0.729  0.908  0.093  1.0
  F  F10  1  0.120  0.767  0.100  1.0
  F  F11  1  0.033  0.995  0.294  1.0
  F  F12  1  0.960  0.284  0.635  1.0
  F  F13  1  0.880  0.233  0.900  1.0
  F  F14  1  0.967  0.005  0.706  1.0
  F  F15  1  0.040  0.716  0.365  1.0
  F  F16  1  0.354  0.141  0.643  1.0
  F  F17  1  0.646  0.859  0.357  1.0
[/CIF]
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