The compound described by Re2(CN2)3 crystallizes in the monoclinic C2/m space group. Re(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form edge-sharing ReN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one C(1) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to three equivalent Re(1) and one C(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Re(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   2.908
_cell_length_c   5.575
_cell_angle_alpha   90.000
_cell_angle_beta   60.894
_cell_angle_gamma   81.324
_symmetry_Int_Tables_number   1
_cell_volume   134.482
_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
  Re  Re0  1  0.364  0.818  0.041  1.0
  Re  Re1  1  0.636  0.182  0.959  1.0
  C  C2  1  0.646  0.677  0.444  1.0
  C  C3  1  0.354  0.323  0.556  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.330  0.335  0.793  1.0
  N  N6  1  0.670  0.665  0.207  1.0
  N  N7  1  0.390  0.305  0.307  1.0
  N  N8  1  0.610  0.695  0.693  1.0
  N  N9  1  0.136  0.932  0.304  1.0
  N  N10  1  0.864  0.068  0.696  1.0
[/CIF]
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The compound described by Re2(CN2)3 crystallizes in the monoclinic C2/m space group. Re(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form edge-sharing ReN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one C(1) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to three equivalent Re(1) and one C(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Re(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   2.908
_cell_length_c   5.575
_cell_angle_alpha   90.000
_cell_angle_beta   60.894
_cell_angle_gamma   81.324
_symmetry_Int_Tables_number   1
_cell_volume   134.482
_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
  Re  Re0  1  0.364  0.818  0.041  1.0
  Re  Re1  1  0.636  0.182  0.959  1.0
  C  C2  1  0.646  0.677  0.444  1.0
  C  C3  1  0.354  0.323  0.556  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.330  0.335  0.793  1.0
  N  N6  1  0.670  0.665  0.207  1.0
  N  N7  1  0.390  0.305  0.307  1.0
  N  N8  1  0.610  0.695  0.693  1.0
  N  N9  1  0.136  0.932  0.304  1.0
  N  N10  1  0.864  0.068  0.696  1.0
[/CIF]
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