The compound described by (FeBr4)2FeC6(NBr)6(BrCN)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cyanogen bromide molecules, two tetrabromoiron molecules, and one FeC6(NBr)6 cluster. In the FeC6(NBr)6 cluster, Fe(2) is bonded in an octahedral geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(4) and one Br(3) atom. In the second C site, C(3) is bonded in a linear geometry to one N(2) and one Br(8) atom. In the third C site, C(4) is bonded in a linear geometry to one N(3) and one Br(2) atom. There are three inequivalent N sites. In the first N site, N(4) is bonded in a linear geometry to one Fe(2) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Fe(2) and one C(3) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(2) and one C(4) atom. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one C(4) atom. In the second Br site, Br(3) is bonded in a single-bond geometry to one C(1) atom. In the third Br site, Br(8) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF card [CIF]
data_Fe3C8(Br2N)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.088
_cell_length_b   9.457
_cell_length_c   12.204
_cell_angle_alpha   76.915
_cell_angle_beta   87.630
_cell_angle_gamma   89.015
_symmetry_Int_Tables_number   1
_cell_volume   908.474
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.130  0.750  0.787  1.0
  Fe  Fe1  1  0.870  0.250  0.213  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  C  C3  1  0.653  0.189  0.546  1.0
  C  C4  1  0.551  0.165  0.857  1.0
  C  C5  1  0.821  0.635  0.373  1.0
  C  C6  1  0.449  0.835  0.143  1.0
  C  C7  1  0.616  0.529  0.733  1.0
  C  C8  1  0.179  0.365  0.627  1.0
  C  C9  1  0.384  0.471  0.267  1.0
  C  C10  1  0.347  0.811  0.454  1.0
  Br  Br11  1  0.806  0.488  0.119  1.0
  Br  Br12  1  0.686  0.528  0.871  1.0
  Br  Br13  1  0.753  0.014  0.578  1.0
  Br  Br14  1  0.360  0.152  0.938  1.0
  Br  Br15  1  0.972  0.870  0.903  1.0
  Br  Br16  1  0.978  0.727  0.630  1.0
  Br  Br17  1  0.627  0.120  0.267  1.0
  Br  Br18  1  0.022  0.273  0.370  1.0
  Br  Br19  1  0.314  0.472  0.129  1.0
  Br  Br20  1  0.640  0.848  0.062  1.0
  Br  Br21  1  0.194  0.512  0.881  1.0
  Br  Br22  1  0.247  0.986  0.422  1.0
  Br  Br23  1  0.002  0.718  0.298  1.0
  Br  Br24  1  0.998  0.282  0.702  1.0
  Br  Br25  1  0.373  0.880  0.733  1.0
  Br  Br26  1  0.028  0.130  0.097  1.0
  N  N27  1  0.323  0.823  0.195  1.0
  N  N28  1  0.677  0.177  0.805  1.0
  N  N29  1  0.703  0.582  0.424  1.0
  N  N30  1  0.575  0.522  0.644  1.0
  N  N31  1  0.297  0.418  0.576  1.0
  N  N32  1  0.425  0.478  0.356  1.0
  N  N33  1  0.405  0.695  0.473  1.0
  N  N34  1  0.595  0.305  0.527  1.0
[/CIF]
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The compound described by (FeBr4)2FeC6(NBr)6(BrCN)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cyanogen bromide molecules, two tetrabromoiron molecules, and one FeC6(NBr)6 cluster. In the FeC6(NBr)6 cluster, Fe(2) is bonded in an octahedral geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(4) and one Br(3) atom. In the second C site, C(3) is bonded in a linear geometry to one N(2) and one Br(8) atom. In the third C site, C(4) is bonded in a linear geometry to one N(3) and one Br(2) atom. There are three inequivalent N sites. In the first N site, N(4) is bonded in a linear geometry to one Fe(2) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Fe(2) and one C(3) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(2) and one C(4) atom. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one C(4) atom. In the second Br site, Br(3) is bonded in a single-bond geometry to one C(1) atom. In the third Br site, Br(8) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF card [CIF]
data_Fe3C8(Br2N)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.088
_cell_length_b   9.457
_cell_length_c   12.204
_cell_angle_alpha   76.915
_cell_angle_beta   87.630
_cell_angle_gamma   89.015
_symmetry_Int_Tables_number   1
_cell_volume   908.474
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.130  0.750  0.787  1.0
  Fe  Fe1  1  0.870  0.250  0.213  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  C  C3  1  0.653  0.189  0.546  1.0
  C  C4  1  0.551  0.165  0.857  1.0
  C  C5  1  0.821  0.635  0.373  1.0
  C  C6  1  0.449  0.835  0.143  1.0
  C  C7  1  0.616  0.529  0.733  1.0
  C  C8  1  0.179  0.365  0.627  1.0
  C  C9  1  0.384  0.471  0.267  1.0
  C  C10  1  0.347  0.811  0.454  1.0
  Br  Br11  1  0.806  0.488  0.119  1.0
  Br  Br12  1  0.686  0.528  0.871  1.0
  Br  Br13  1  0.753  0.014  0.578  1.0
  Br  Br14  1  0.360  0.152  0.938  1.0
  Br  Br15  1  0.972  0.870  0.903  1.0
  Br  Br16  1  0.978  0.727  0.630  1.0
  Br  Br17  1  0.627  0.120  0.267  1.0
  Br  Br18  1  0.022  0.273  0.370  1.0
  Br  Br19  1  0.314  0.472  0.129  1.0
  Br  Br20  1  0.640  0.848  0.062  1.0
  Br  Br21  1  0.194  0.512  0.881  1.0
  Br  Br22  1  0.247  0.986  0.422  1.0
  Br  Br23  1  0.002  0.718  0.298  1.0
  Br  Br24  1  0.998  0.282  0.702  1.0
  Br  Br25  1  0.373  0.880  0.733  1.0
  Br  Br26  1  0.028  0.130  0.097  1.0
  N  N27  1  0.323  0.823  0.195  1.0
  N  N28  1  0.677  0.177  0.805  1.0
  N  N29  1  0.703  0.582  0.424  1.0
  N  N30  1  0.575  0.522  0.644  1.0
  N  N31  1  0.297  0.418  0.576  1.0
  N  N32  1  0.425  0.478  0.356  1.0
  N  N33  1  0.405  0.695  0.473  1.0
  N  N34  1  0.595  0.305  0.527  1.0
[/CIF]
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