The material described by Co11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form edge-sharing CoN6 octahedra. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(4) atoms. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to three equivalent N(2) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Co(3) and one C(1) atom. In the second N site, N(4) is bonded in a 6-coordinate geometry to one Co(1), four equivalent Co(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms to form NCo6 octahedra that share corners with two equivalent N(1)Co6 octahedra, corners with four equivalent N(2)Co5 trigonal bipyramids, and edges with three equivalent N(1)Co6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Co(2) and three equivalent Co(4) atoms to form distorted NCo5 trigonal bipyramids that share corners with two equivalent N(1)Co6 octahedra, corners with four equivalent N(2)Co5 trigonal bipyramids, and edges with two equivalent N(2)Co5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.390
_cell_length_b   12.390
_cell_length_c   2.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.621
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.998  0.776  0.500  1.0
  Co  Co3  1  0.002  0.224  0.500  1.0
  Co  Co4  1  0.502  0.276  0.000  1.0
  Co  Co5  1  0.498  0.724  0.000  1.0
  Co  Co6  1  0.776  0.998  0.500  1.0
  Co  Co7  1  0.224  0.002  0.500  1.0
  Co  Co8  1  0.276  0.502  0.000  1.0
  Co  Co9  1  0.724  0.498  0.000  1.0
  Co  Co10  1  0.657  0.657  0.500  1.0
  Co  Co11  1  0.343  0.343  0.500  1.0
  Co  Co12  1  0.843  0.157  0.000  1.0
  Co  Co13  1  0.157  0.843  0.000  1.0
  Co  Co14  1  0.405  0.922  0.500  1.0
  Co  Co15  1  0.595  0.078  0.500  1.0
  Co  Co16  1  0.095  0.422  0.000  1.0
  Co  Co17  1  0.905  0.578  0.000  1.0
  Co  Co18  1  0.922  0.405  0.500  1.0
  Co  Co19  1  0.078  0.595  0.500  1.0
  Co  Co20  1  0.422  0.095  0.000  1.0
  Co  Co21  1  0.578  0.905  0.000  1.0
  C  C22  1  0.306  0.694  0.500  1.0
  C  C23  1  0.694  0.306  0.500  1.0
  C  C24  1  0.194  0.194  0.000  1.0
  C  C25  1  0.806  0.806  0.000  1.0
  N  N26  1  0.088  0.912  0.500  1.0
  N  N27  1  0.912  0.088  0.500  1.0
  N  N28  1  0.412  0.412  0.000  1.0
  N  N29  1  0.588  0.588  0.000  1.0
  N  N30  1  0.482  0.178  0.500  1.0
  N  N31  1  0.518  0.822  0.500  1.0
  N  N32  1  0.018  0.678  0.000  1.0
  N  N33  1  0.982  0.322  0.000  1.0
  N  N34  1  0.178  0.482  0.500  1.0
  N  N35  1  0.822  0.518  0.500  1.0
  N  N36  1  0.678  0.018  0.000  1.0
  N  N37  1  0.322  0.982  0.000  1.0
  N  N38  1  0.237  0.763  0.500  1.0
  N  N39  1  0.763  0.237  0.500  1.0
  N  N40  1  0.263  0.263  0.000  1.0
  N  N41  1  0.737  0.737  0.000  1.0
  N  N42  1  0.378  0.622  0.500  1.0
  N  N43  1  0.622  0.378  0.500  1.0
  N  N44  1  0.122  0.122  0.000  1.0
  N  N45  1  0.878  0.878  0.000  1.0
[/CIF]
.
The material described by Co11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form edge-sharing CoN6 octahedra. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(4) atoms. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to three equivalent N(2) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Co(3) and one C(1) atom. In the second N site, N(4) is bonded in a 6-coordinate geometry to one Co(1), four equivalent Co(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms to form NCo6 octahedra that share corners with two equivalent N(1)Co6 octahedra, corners with four equivalent N(2)Co5 trigonal bipyramids, and edges with three equivalent N(1)Co6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Co(2) and three equivalent Co(4) atoms to form distorted NCo5 trigonal bipyramids that share corners with two equivalent N(1)Co6 octahedra, corners with four equivalent N(2)Co5 trigonal bipyramids, and edges with two equivalent N(2)Co5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.390
_cell_length_b   12.390
_cell_length_c   2.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.621
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.998  0.776  0.500  1.0
  Co  Co3  1  0.002  0.224  0.500  1.0
  Co  Co4  1  0.502  0.276  0.000  1.0
  Co  Co5  1  0.498  0.724  0.000  1.0
  Co  Co6  1  0.776  0.998  0.500  1.0
  Co  Co7  1  0.224  0.002  0.500  1.0
  Co  Co8  1  0.276  0.502  0.000  1.0
  Co  Co9  1  0.724  0.498  0.000  1.0
  Co  Co10  1  0.657  0.657  0.500  1.0
  Co  Co11  1  0.343  0.343  0.500  1.0
  Co  Co12  1  0.843  0.157  0.000  1.0
  Co  Co13  1  0.157  0.843  0.000  1.0
  Co  Co14  1  0.405  0.922  0.500  1.0
  Co  Co15  1  0.595  0.078  0.500  1.0
  Co  Co16  1  0.095  0.422  0.000  1.0
  Co  Co17  1  0.905  0.578  0.000  1.0
  Co  Co18  1  0.922  0.405  0.500  1.0
  Co  Co19  1  0.078  0.595  0.500  1.0
  Co  Co20  1  0.422  0.095  0.000  1.0
  Co  Co21  1  0.578  0.905  0.000  1.0
  C  C22  1  0.306  0.694  0.500  1.0
  C  C23  1  0.694  0.306  0.500  1.0
  C  C24  1  0.194  0.194  0.000  1.0
  C  C25  1  0.806  0.806  0.000  1.0
  N  N26  1  0.088  0.912  0.500  1.0
  N  N27  1  0.912  0.088  0.500  1.0
  N  N28  1  0.412  0.412  0.000  1.0
  N  N29  1  0.588  0.588  0.000  1.0
  N  N30  1  0.482  0.178  0.500  1.0
  N  N31  1  0.518  0.822  0.500  1.0
  N  N32  1  0.018  0.678  0.000  1.0
  N  N33  1  0.982  0.322  0.000  1.0
  N  N34  1  0.178  0.482  0.500  1.0
  N  N35  1  0.822  0.518  0.500  1.0
  N  N36  1  0.678  0.018  0.000  1.0
  N  N37  1  0.322  0.982  0.000  1.0
  N  N38  1  0.237  0.763  0.500  1.0
  N  N39  1  0.763  0.237  0.500  1.0
  N  N40  1  0.263  0.263  0.000  1.0
  N  N41  1  0.737  0.737  0.000  1.0
  N  N42  1  0.378  0.622  0.500  1.0
  N  N43  1  0.622  0.378  0.500  1.0
  N  N44  1  0.122  0.122  0.000  1.0
  N  N45  1  0.878  0.878  0.000  1.0
[/CIF]
.