The crystal structure described by C2P4N2Se3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 2,5,7-triselena-1,3,4,6-tetraphosphabicyclo[2.2.1]heptane-3,6-dicarbonitrile molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one P(3) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one P(1) and one N(1) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one C(2), one P(2), and one Se(2) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one Se(1), and one Se(3) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one C(1), one P(4), and one Se(1) atom. In the fourth P site, P(4) is bonded in a distorted trigonal non-coplanar geometry to one P(3), one Se(2), and one Se(3) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one P(2) and one P(4) atom. is represented by the CIF card [CIF]
data_P4C2Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   12.512
_cell_length_c   14.244
_cell_angle_alpha   72.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.730
_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
  P  P0  1  0.499  0.136  0.105  1.0
  P  P1  1  0.293  0.249  0.149  1.0
  P  P2  1  0.463  0.118  0.395  1.0
  P  P3  1  0.707  0.751  0.851  1.0
  P  P4  1  0.229  0.506  0.340  1.0
  P  P5  1  0.963  0.382  0.605  1.0
  P  P6  1  0.271  0.006  0.340  1.0
  P  P7  1  0.537  0.882  0.605  1.0
  P  P8  1  0.207  0.749  0.149  1.0
  P  P9  1  0.037  0.618  0.395  1.0
  P  P10  1  0.771  0.494  0.660  1.0
  P  P11  1  0.501  0.864  0.895  1.0
  P  P12  1  0.999  0.364  0.895  1.0
  P  P13  1  0.729  0.994  0.660  1.0
  P  P14  1  0.793  0.251  0.851  1.0
  P  P15  1  0.001  0.636  0.105  1.0
  C  C16  1  0.779  0.338  0.535  1.0
  C  C17  1  0.165  0.593  0.025  1.0
  C  C18  1  0.721  0.838  0.535  1.0
  C  C19  1  0.335  0.093  0.025  1.0
  C  C20  1  0.279  0.162  0.465  1.0
  C  C21  1  0.221  0.662  0.465  1.0
  C  C22  1  0.665  0.907  0.975  1.0
  C  C23  1  0.835  0.407  0.975  1.0
  Se  Se24  1  0.500  0.279  0.265  1.0
  Se  Se25  1  0.500  0.721  0.735  1.0
  Se  Se26  1  0.505  0.974  0.237  1.0
  Se  Se27  1  0.565  0.370  0.762  1.0
  Se  Se28  1  1.000  0.221  0.735  1.0
  Se  Se29  1  0.995  0.474  0.237  1.0
  Se  Se30  1  0.065  0.130  0.238  1.0
  Se  Se31  1  0.935  0.870  0.762  1.0
  Se  Se32  1  0.495  0.026  0.763  1.0
  Se  Se33  1  0.005  0.526  0.763  1.0
  Se  Se34  1  0.435  0.630  0.238  1.0
  Se  Se35  1  0.000  0.779  0.265  1.0
  N  N36  1  0.743  0.430  0.035  1.0
  N  N37  1  0.332  0.687  0.517  1.0
  N  N38  1  0.243  0.070  0.965  1.0
  N  N39  1  0.668  0.313  0.483  1.0
  N  N40  1  0.757  0.930  0.035  1.0
  N  N41  1  0.832  0.813  0.483  1.0
  N  N42  1  0.168  0.187  0.517  1.0
  N  N43  1  0.257  0.570  0.965  1.0
[/CIF]
.
The crystal structure described by C2P4N2Se3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 2,5,7-triselena-1,3,4,6-tetraphosphabicyclo[2.2.1]heptane-3,6-dicarbonitrile molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one P(3) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one P(1) and one N(1) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one C(2), one P(2), and one Se(2) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one Se(1), and one Se(3) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one C(1), one P(4), and one Se(1) atom. In the fourth P site, P(4) is bonded in a distorted trigonal non-coplanar geometry to one P(3), one Se(2), and one Se(3) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one P(2) and one P(4) atom. is represented by the CIF card [CIF]
data_P4C2Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   12.512
_cell_length_c   14.244
_cell_angle_alpha   72.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.730
_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
  P  P0  1  0.499  0.136  0.105  1.0
  P  P1  1  0.293  0.249  0.149  1.0
  P  P2  1  0.463  0.118  0.395  1.0
  P  P3  1  0.707  0.751  0.851  1.0
  P  P4  1  0.229  0.506  0.340  1.0
  P  P5  1  0.963  0.382  0.605  1.0
  P  P6  1  0.271  0.006  0.340  1.0
  P  P7  1  0.537  0.882  0.605  1.0
  P  P8  1  0.207  0.749  0.149  1.0
  P  P9  1  0.037  0.618  0.395  1.0
  P  P10  1  0.771  0.494  0.660  1.0
  P  P11  1  0.501  0.864  0.895  1.0
  P  P12  1  0.999  0.364  0.895  1.0
  P  P13  1  0.729  0.994  0.660  1.0
  P  P14  1  0.793  0.251  0.851  1.0
  P  P15  1  0.001  0.636  0.105  1.0
  C  C16  1  0.779  0.338  0.535  1.0
  C  C17  1  0.165  0.593  0.025  1.0
  C  C18  1  0.721  0.838  0.535  1.0
  C  C19  1  0.335  0.093  0.025  1.0
  C  C20  1  0.279  0.162  0.465  1.0
  C  C21  1  0.221  0.662  0.465  1.0
  C  C22  1  0.665  0.907  0.975  1.0
  C  C23  1  0.835  0.407  0.975  1.0
  Se  Se24  1  0.500  0.279  0.265  1.0
  Se  Se25  1  0.500  0.721  0.735  1.0
  Se  Se26  1  0.505  0.974  0.237  1.0
  Se  Se27  1  0.565  0.370  0.762  1.0
  Se  Se28  1  1.000  0.221  0.735  1.0
  Se  Se29  1  0.995  0.474  0.237  1.0
  Se  Se30  1  0.065  0.130  0.238  1.0
  Se  Se31  1  0.935  0.870  0.762  1.0
  Se  Se32  1  0.495  0.026  0.763  1.0
  Se  Se33  1  0.005  0.526  0.763  1.0
  Se  Se34  1  0.435  0.630  0.238  1.0
  Se  Se35  1  0.000  0.779  0.265  1.0
  N  N36  1  0.743  0.430  0.035  1.0
  N  N37  1  0.332  0.687  0.517  1.0
  N  N38  1  0.243  0.070  0.965  1.0
  N  N39  1  0.668  0.313  0.483  1.0
  N  N40  1  0.757  0.930  0.035  1.0
  N  N41  1  0.832  0.813  0.483  1.0
  N  N42  1  0.168  0.187  0.517  1.0
  N  N43  1  0.257  0.570  0.965  1.0
[/CIF]
.