The material described by CF2(CIF5)2CIF4IF4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one difluoromethane molecule, one CIF4 cluster, two CIF5 clusters, and one IF4 cluster. In the CIF4 cluster, C(3) is bonded in a water-like geometry to one I(3), one F(11), and one F(12) atom. I(3) is bonded in a distorted T-shaped geometry to one C(3), one F(1), and one F(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one I(3) atom. In the second F site, F(6) is bonded in a single-bond geometry to one I(3) atom. In the third F site, F(11) is bonded in a single-bond geometry to one C(3) atom. In the fourth F site, F(12) is bonded in a single-bond geometry to one C(3) atom. In each CIF5 cluster, C(2) is bonded in a trigonal non-coplanar geometry to one I(4), one F(10), one F(17), and one F(5) atom. I(4) is bonded in a distorted T-shaped geometry to one C(2), one F(20), and one F(8) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one C(2) atom. In the second F site, F(8) is bonded in a single-bond geometry to one I(4) atom. In the third F site, F(10) is bonded in a single-bond geometry to one C(2) atom. In the fourth F site, F(17) is bonded in a single-bond geometry to one C(2) atom. In the fifth F site, F(20) is bonded in a single-bond geometry to one I(4) atom. In the IF4 cluster, I(1) is bonded in a distorted rectangular see-saw-like geometry to one F(15), one F(16), one F(3), and one F(7) atom. There are four inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one I(1) atom. In the second F site, F(7) is bonded in a single-bond geometry to one I(1) atom. In the third F site, F(15) is bonded in a single-bond geometry to one I(1) atom. In the fourth F site, F(16) is bonded in a single-bond geometry to one I(1) atom. is represented by the CIF file [CIF]
data_CIF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   8.698
_cell_length_c   8.989
_cell_angle_alpha   96.887
_cell_angle_beta   115.741
_cell_angle_gamma   114.593
_symmetry_Int_Tables_number   1
_cell_volume   514.371
_cell_formula_units_Z   4
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  0.769  0.540  0.633  1.0
  C  C1  1  0.744  0.249  0.153  1.0
  C  C2  1  0.241  0.366  0.746  1.0
  C  C3  1  0.314  0.969  0.523  1.0
  I  I4  1  0.777  0.799  0.613  1.0
  I  I5  1  0.284  0.899  0.258  1.0
  I  I6  1  0.256  0.394  0.000  1.0
  I  I7  1  0.763  0.002  0.146  1.0
  F  F8  1  0.962  0.195  0.852  1.0
  F  F9  1  0.919  0.558  0.780  1.0
  F  F10  1  0.494  0.622  0.423  1.0
  F  F11  1  0.581  0.990  0.410  1.0
  F  F12  1  0.550  0.200  0.057  1.0
  F  F13  1  0.543  0.580  0.093  1.0
  F  F14  1  0.057  0.910  0.815  1.0
  F  F15  1  0.461  0.870  0.046  1.0
  F  F16  1  0.990  0.815  0.148  1.0
  F  F17  1  0.845  0.344  0.085  1.0
  F  F18  1  0.053  0.259  0.607  1.0
  F  F19  1  0.331  0.523  0.730  1.0
  F  F20  1  0.207  0.047  0.516  1.0
  F  F21  1  0.247  0.819  0.560  1.0
  F  F22  1  0.856  0.746  0.450  1.0
  F  F23  1  0.673  0.807  0.768  1.0
  F  F24  1  0.828  0.353  0.321  1.0
  F  F25  1  0.508  0.087  0.648  1.0
  F  F26  1  0.593  0.408  0.595  1.0
  F  F27  1  0.055  0.187  0.251  1.0
[/CIF]
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The material described by CF2(CIF5)2CIF4IF4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one difluoromethane molecule, one CIF4 cluster, two CIF5 clusters, and one IF4 cluster. In the CIF4 cluster, C(3) is bonded in a water-like geometry to one I(3), one F(11), and one F(12) atom. I(3) is bonded in a distorted T-shaped geometry to one C(3), one F(1), and one F(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one I(3) atom. In the second F site, F(6) is bonded in a single-bond geometry to one I(3) atom. In the third F site, F(11) is bonded in a single-bond geometry to one C(3) atom. In the fourth F site, F(12) is bonded in a single-bond geometry to one C(3) atom. In each CIF5 cluster, C(2) is bonded in a trigonal non-coplanar geometry to one I(4), one F(10), one F(17), and one F(5) atom. I(4) is bonded in a distorted T-shaped geometry to one C(2), one F(20), and one F(8) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one C(2) atom. In the second F site, F(8) is bonded in a single-bond geometry to one I(4) atom. In the third F site, F(10) is bonded in a single-bond geometry to one C(2) atom. In the fourth F site, F(17) is bonded in a single-bond geometry to one C(2) atom. In the fifth F site, F(20) is bonded in a single-bond geometry to one I(4) atom. In the IF4 cluster, I(1) is bonded in a distorted rectangular see-saw-like geometry to one F(15), one F(16), one F(3), and one F(7) atom. There are four inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one I(1) atom. In the second F site, F(7) is bonded in a single-bond geometry to one I(1) atom. In the third F site, F(15) is bonded in a single-bond geometry to one I(1) atom. In the fourth F site, F(16) is bonded in a single-bond geometry to one I(1) atom. is represented by the CIF file [CIF]
data_CIF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   8.698
_cell_length_c   8.989
_cell_angle_alpha   96.887
_cell_angle_beta   115.741
_cell_angle_gamma   114.593
_symmetry_Int_Tables_number   1
_cell_volume   514.371
_cell_formula_units_Z   4
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  0.769  0.540  0.633  1.0
  C  C1  1  0.744  0.249  0.153  1.0
  C  C2  1  0.241  0.366  0.746  1.0
  C  C3  1  0.314  0.969  0.523  1.0
  I  I4  1  0.777  0.799  0.613  1.0
  I  I5  1  0.284  0.899  0.258  1.0
  I  I6  1  0.256  0.394  0.000  1.0
  I  I7  1  0.763  0.002  0.146  1.0
  F  F8  1  0.962  0.195  0.852  1.0
  F  F9  1  0.919  0.558  0.780  1.0
  F  F10  1  0.494  0.622  0.423  1.0
  F  F11  1  0.581  0.990  0.410  1.0
  F  F12  1  0.550  0.200  0.057  1.0
  F  F13  1  0.543  0.580  0.093  1.0
  F  F14  1  0.057  0.910  0.815  1.0
  F  F15  1  0.461  0.870  0.046  1.0
  F  F16  1  0.990  0.815  0.148  1.0
  F  F17  1  0.845  0.344  0.085  1.0
  F  F18  1  0.053  0.259  0.607  1.0
  F  F19  1  0.331  0.523  0.730  1.0
  F  F20  1  0.207  0.047  0.516  1.0
  F  F21  1  0.247  0.819  0.560  1.0
  F  F22  1  0.856  0.746  0.450  1.0
  F  F23  1  0.673  0.807  0.768  1.0
  F  F24  1  0.828  0.353  0.321  1.0
  F  F25  1  0.508  0.087  0.648  1.0
  F  F26  1  0.593  0.408  0.595  1.0
  F  F27  1  0.055  0.187  0.251  1.0
[/CIF]
.