The material described by C2SF6 is Indium-like structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two trifluoro(2,2,2-trifluoroethyl)-lambda4-sulfane molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one F(1), one F(4), and one F(5) atom. In the second C site, C(2) is bonded in a linear geometry to one C(1) and one S(1) atom. S(1) is bonded in a distorted rectangular see-saw-like geometry to one C(2), one F(2), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(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 C(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_C2SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   6.890
_cell_length_c   8.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.815
_symmetry_Int_Tables_number   1
_cell_volume   343.086
_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  0.980  0.825  0.493  1.0
  C  C1  1  0.020  0.175  0.993  1.0
  C  C2  1  0.818  0.997  0.991  1.0
  C  C3  1  0.182  0.003  0.491  1.0
  S  S4  1  0.634  0.805  0.997  1.0
  S  S5  1  0.366  0.195  0.497  1.0
  F  F6  1  0.975  0.702  0.621  1.0
  F  F7  1  0.025  0.298  0.121  1.0
  F  F8  1  0.447  0.745  0.861  1.0
  F  F9  1  0.553  0.255  0.361  1.0
  F  F10  1  0.663  0.583  0.997  1.0
  F  F11  1  0.337  0.417  0.497  1.0
  F  F12  1  0.965  0.706  0.361  1.0
  F  F13  1  0.035  0.294  0.861  1.0
  F  F14  1  0.785  0.877  0.499  1.0
  F  F15  1  0.215  0.123  0.999  1.0
  F  F16  1  0.551  0.254  0.635  1.0
  F  F17  1  0.449  0.746  0.135  1.0
[/CIF]
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The material described by C2SF6 is Indium-like structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two trifluoro(2,2,2-trifluoroethyl)-lambda4-sulfane molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one F(1), one F(4), and one F(5) atom. In the second C site, C(2) is bonded in a linear geometry to one C(1) and one S(1) atom. S(1) is bonded in a distorted rectangular see-saw-like geometry to one C(2), one F(2), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(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 C(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_C2SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   6.890
_cell_length_c   8.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.815
_symmetry_Int_Tables_number   1
_cell_volume   343.086
_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  0.980  0.825  0.493  1.0
  C  C1  1  0.020  0.175  0.993  1.0
  C  C2  1  0.818  0.997  0.991  1.0
  C  C3  1  0.182  0.003  0.491  1.0
  S  S4  1  0.634  0.805  0.997  1.0
  S  S5  1  0.366  0.195  0.497  1.0
  F  F6  1  0.975  0.702  0.621  1.0
  F  F7  1  0.025  0.298  0.121  1.0
  F  F8  1  0.447  0.745  0.861  1.0
  F  F9  1  0.553  0.255  0.361  1.0
  F  F10  1  0.663  0.583  0.997  1.0
  F  F11  1  0.337  0.417  0.497  1.0
  F  F12  1  0.965  0.706  0.361  1.0
  F  F13  1  0.035  0.294  0.861  1.0
  F  F14  1  0.785  0.877  0.499  1.0
  F  F15  1  0.215  0.123  0.999  1.0
  F  F16  1  0.551  0.254  0.635  1.0
  F  F17  1  0.449  0.746  0.135  1.0
[/CIF]
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