The crystal structure described by CsCN5H2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent N(2), and four equivalent N(3) atoms. C(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one C(1), and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one N(2), and one N(3) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one C(1), and one N(2) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsH2CN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   8.506
_cell_length_c   9.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.482
_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
  Cs  Cs0  1  0.250  0.516  0.203  1.0
  Cs  Cs1  1  0.750  0.484  0.797  1.0
  Cs  Cs2  1  0.750  0.984  0.703  1.0
  Cs  Cs3  1  0.250  0.016  0.297  1.0
  H  H4  1  0.126  0.800  0.924  1.0
  H  H5  1  0.874  0.200  0.076  1.0
  H  H6  1  0.874  0.700  0.424  1.0
  H  H7  1  0.626  0.200  0.076  1.0
  H  H8  1  0.126  0.300  0.576  1.0
  H  H9  1  0.374  0.800  0.924  1.0
  H  H10  1  0.374  0.300  0.576  1.0
  H  H11  1  0.626  0.700  0.424  1.0
  C  C12  1  0.250  0.725  0.737  1.0
  C  C13  1  0.750  0.275  0.263  1.0
  C  C14  1  0.750  0.775  0.237  1.0
  C  C15  1  0.250  0.225  0.763  1.0
  N  N16  1  0.250  0.748  0.886  1.0
  N  N17  1  0.750  0.252  0.114  1.0
  N  N18  1  0.750  0.752  0.386  1.0
  N  N19  1  0.250  0.248  0.614  1.0
  N  N20  1  0.155  0.684  0.518  1.0
  N  N21  1  0.845  0.316  0.482  1.0
  N  N22  1  0.845  0.816  0.018  1.0
  N  N23  1  0.655  0.316  0.482  1.0
  N  N24  1  0.155  0.184  0.982  1.0
  N  N25  1  0.345  0.684  0.518  1.0
  N  N26  1  0.345  0.184  0.982  1.0
  N  N27  1  0.655  0.816  0.018  1.0
  N  N28  1  0.088  0.708  0.656  1.0
  N  N29  1  0.912  0.292  0.344  1.0
  N  N30  1  0.912  0.792  0.156  1.0
  N  N31  1  0.588  0.292  0.344  1.0
  N  N32  1  0.088  0.208  0.844  1.0
  N  N33  1  0.412  0.708  0.656  1.0
  N  N34  1  0.412  0.208  0.844  1.0
  N  N35  1  0.588  0.792  0.156  1.0
[/CIF]
.
The crystal structure described by CsCN5H2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent N(2), and four equivalent N(3) atoms. C(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one C(1), and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one N(2), and one N(3) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one C(1), and one N(2) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsH2CN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   8.506
_cell_length_c   9.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.482
_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
  Cs  Cs0  1  0.250  0.516  0.203  1.0
  Cs  Cs1  1  0.750  0.484  0.797  1.0
  Cs  Cs2  1  0.750  0.984  0.703  1.0
  Cs  Cs3  1  0.250  0.016  0.297  1.0
  H  H4  1  0.126  0.800  0.924  1.0
  H  H5  1  0.874  0.200  0.076  1.0
  H  H6  1  0.874  0.700  0.424  1.0
  H  H7  1  0.626  0.200  0.076  1.0
  H  H8  1  0.126  0.300  0.576  1.0
  H  H9  1  0.374  0.800  0.924  1.0
  H  H10  1  0.374  0.300  0.576  1.0
  H  H11  1  0.626  0.700  0.424  1.0
  C  C12  1  0.250  0.725  0.737  1.0
  C  C13  1  0.750  0.275  0.263  1.0
  C  C14  1  0.750  0.775  0.237  1.0
  C  C15  1  0.250  0.225  0.763  1.0
  N  N16  1  0.250  0.748  0.886  1.0
  N  N17  1  0.750  0.252  0.114  1.0
  N  N18  1  0.750  0.752  0.386  1.0
  N  N19  1  0.250  0.248  0.614  1.0
  N  N20  1  0.155  0.684  0.518  1.0
  N  N21  1  0.845  0.316  0.482  1.0
  N  N22  1  0.845  0.816  0.018  1.0
  N  N23  1  0.655  0.316  0.482  1.0
  N  N24  1  0.155  0.184  0.982  1.0
  N  N25  1  0.345  0.684  0.518  1.0
  N  N26  1  0.345  0.184  0.982  1.0
  N  N27  1  0.655  0.816  0.018  1.0
  N  N28  1  0.088  0.708  0.656  1.0
  N  N29  1  0.912  0.292  0.344  1.0
  N  N30  1  0.912  0.792  0.156  1.0
  N  N31  1  0.588  0.292  0.344  1.0
  N  N32  1  0.088  0.208  0.844  1.0
  N  N33  1  0.412  0.708  0.656  1.0
  N  N34  1  0.412  0.208  0.844  1.0
  N  N35  1  0.588  0.792  0.156  1.0
[/CIF]
.