The crystal structure described by Zn11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form edge-sharing ZnN6 octahedra. In the second Zn site, Zn(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 Zn site, Zn(3) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Zn site, Zn(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 Zn(3) and one C(1) atom. In the second N site, N(4) is bonded in a distorted single-bond geometry to one Zn(1), four equivalent Zn(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form NZn6 octahedra that share corners with two equivalent N(1)Zn6 octahedra, corners with four equivalent N(2)Zn5 square pyramids, and edges with three equivalent N(1)Zn6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Zn(2) and three equivalent Zn(4) atoms to form distorted NZn5 square pyramids that share corners with two equivalent N(1)Zn6 octahedra, corners with four equivalent N(2)Zn5 square pyramids, and edges with two equivalent N(2)Zn5 square pyramids. The corner-sharing octahedral tilt angles are 61°. is represented by the CIF card [CIF]
data_Zn11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.130
_cell_length_b   13.130
_cell_length_c   3.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.250
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.994  0.789  0.500  1.0
  Zn  Zn3  1  0.006  0.211  0.500  1.0
  Zn  Zn4  1  0.506  0.289  0.000  1.0
  Zn  Zn5  1  0.494  0.711  0.000  1.0
  Zn  Zn6  1  0.789  0.994  0.500  1.0
  Zn  Zn7  1  0.211  0.006  0.500  1.0
  Zn  Zn8  1  0.289  0.506  0.000  1.0
  Zn  Zn9  1  0.711  0.494  0.000  1.0
  Zn  Zn10  1  0.663  0.663  0.500  1.0
  Zn  Zn11  1  0.337  0.337  0.500  1.0
  Zn  Zn12  1  0.837  0.163  0.000  1.0
  Zn  Zn13  1  0.163  0.837  0.000  1.0
  Zn  Zn14  1  0.390  0.908  0.500  1.0
  Zn  Zn15  1  0.610  0.092  0.500  1.0
  Zn  Zn16  1  0.110  0.408  0.000  1.0
  Zn  Zn17  1  0.890  0.592  0.000  1.0
  Zn  Zn18  1  0.908  0.390  0.500  1.0
  Zn  Zn19  1  0.092  0.610  0.500  1.0
  Zn  Zn20  1  0.408  0.110  0.000  1.0
  Zn  Zn21  1  0.592  0.890  0.000  1.0
  C  C22  1  0.305  0.695  0.500  1.0
  C  C23  1  0.695  0.305  0.500  1.0
  C  C24  1  0.195  0.195  0.000  1.0
  C  C25  1  0.805  0.805  0.000  1.0
  N  N26  1  0.084  0.916  0.500  1.0
  N  N27  1  0.916  0.084  0.500  1.0
  N  N28  1  0.416  0.416  0.000  1.0
  N  N29  1  0.584  0.584  0.000  1.0
  N  N30  1  0.487  0.179  0.500  1.0
  N  N31  1  0.513  0.821  0.500  1.0
  N  N32  1  0.013  0.679  0.000  1.0
  N  N33  1  0.987  0.321  0.000  1.0
  N  N34  1  0.179  0.487  0.500  1.0
  N  N35  1  0.821  0.513  0.500  1.0
  N  N36  1  0.679  0.013  0.000  1.0
  N  N37  1  0.321  0.987  0.000  1.0
  N  N38  1  0.239  0.761  0.500  1.0
  N  N39  1  0.761  0.239  0.500  1.0
  N  N40  1  0.261  0.261  0.000  1.0
  N  N41  1  0.739  0.739  0.000  1.0
  N  N42  1  0.372  0.628  0.500  1.0
  N  N43  1  0.628  0.372  0.500  1.0
  N  N44  1  0.128  0.128  0.000  1.0
  N  N45  1  0.872  0.872  0.000  1.0
[/CIF]
.
The crystal structure described by Zn11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form edge-sharing ZnN6 octahedra. In the second Zn site, Zn(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 Zn site, Zn(3) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Zn site, Zn(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 Zn(3) and one C(1) atom. In the second N site, N(4) is bonded in a distorted single-bond geometry to one Zn(1), four equivalent Zn(2), and one C(1) atom. In the third N site, N(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form NZn6 octahedra that share corners with two equivalent N(1)Zn6 octahedra, corners with four equivalent N(2)Zn5 square pyramids, and edges with three equivalent N(1)Zn6 octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Zn(2) and three equivalent Zn(4) atoms to form distorted NZn5 square pyramids that share corners with two equivalent N(1)Zn6 octahedra, corners with four equivalent N(2)Zn5 square pyramids, and edges with two equivalent N(2)Zn5 square pyramids. The corner-sharing octahedral tilt angles are 61°. is represented by the CIF card [CIF]
data_Zn11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.130
_cell_length_b   13.130
_cell_length_c   3.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.250
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.994  0.789  0.500  1.0
  Zn  Zn3  1  0.006  0.211  0.500  1.0
  Zn  Zn4  1  0.506  0.289  0.000  1.0
  Zn  Zn5  1  0.494  0.711  0.000  1.0
  Zn  Zn6  1  0.789  0.994  0.500  1.0
  Zn  Zn7  1  0.211  0.006  0.500  1.0
  Zn  Zn8  1  0.289  0.506  0.000  1.0
  Zn  Zn9  1  0.711  0.494  0.000  1.0
  Zn  Zn10  1  0.663  0.663  0.500  1.0
  Zn  Zn11  1  0.337  0.337  0.500  1.0
  Zn  Zn12  1  0.837  0.163  0.000  1.0
  Zn  Zn13  1  0.163  0.837  0.000  1.0
  Zn  Zn14  1  0.390  0.908  0.500  1.0
  Zn  Zn15  1  0.610  0.092  0.500  1.0
  Zn  Zn16  1  0.110  0.408  0.000  1.0
  Zn  Zn17  1  0.890  0.592  0.000  1.0
  Zn  Zn18  1  0.908  0.390  0.500  1.0
  Zn  Zn19  1  0.092  0.610  0.500  1.0
  Zn  Zn20  1  0.408  0.110  0.000  1.0
  Zn  Zn21  1  0.592  0.890  0.000  1.0
  C  C22  1  0.305  0.695  0.500  1.0
  C  C23  1  0.695  0.305  0.500  1.0
  C  C24  1  0.195  0.195  0.000  1.0
  C  C25  1  0.805  0.805  0.000  1.0
  N  N26  1  0.084  0.916  0.500  1.0
  N  N27  1  0.916  0.084  0.500  1.0
  N  N28  1  0.416  0.416  0.000  1.0
  N  N29  1  0.584  0.584  0.000  1.0
  N  N30  1  0.487  0.179  0.500  1.0
  N  N31  1  0.513  0.821  0.500  1.0
  N  N32  1  0.013  0.679  0.000  1.0
  N  N33  1  0.987  0.321  0.000  1.0
  N  N34  1  0.179  0.487  0.500  1.0
  N  N35  1  0.821  0.513  0.500  1.0
  N  N36  1  0.679  0.013  0.000  1.0
  N  N37  1  0.321  0.987  0.000  1.0
  N  N38  1  0.239  0.761  0.500  1.0
  N  N39  1  0.761  0.239  0.500  1.0
  N  N40  1  0.261  0.261  0.000  1.0
  N  N41  1  0.739  0.739  0.000  1.0
  N  N42  1  0.372  0.628  0.500  1.0
  N  N43  1  0.628  0.372  0.500  1.0
  N  N44  1  0.128  0.128  0.000  1.0
  N  N45  1  0.872  0.872  0.000  1.0
[/CIF]
.