The material described by KCN4HO5 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 8-coordinate geometry to one N(3), one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one O(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one N(1), one O(3), and one O(5) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one K(1), one C(1), and one N(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one N(3), one O(1), and one O(4) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one N(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(4) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one N(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one K(1) and one N(4) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF file [CIF]
data_KHCN4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   9.837
_cell_angle_alpha   50.477
_cell_angle_beta   50.477
_cell_angle_gamma   47.282
_symmetry_Int_Tables_number   1
_cell_volume   305.113
_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
  K  K0  1  0.266  0.366  0.774  1.0
  K  K1  1  0.366  0.266  0.274  1.0
  H  H2  1  0.603  0.878  0.626  1.0
  H  H3  1  0.878  0.603  0.126  1.0
  C  C4  1  0.319  0.751  0.836  1.0
  C  C5  1  0.751  0.319  0.336  1.0
  N  N6  1  0.552  0.746  0.679  1.0
  N  N7  1  0.746  0.552  0.179  1.0
  N  N8  1  0.752  0.540  0.622  1.0
  N  N9  1  0.540  0.752  0.122  1.0
  N  N10  1  0.981  0.189  0.350  1.0
  N  N11  1  0.189  0.981  0.850  1.0
  N  N12  1  0.972  0.028  1.000  1.0
  N  N13  1  0.028  0.972  0.500  1.0
  O  O14  1  0.865  0.896  0.640  1.0
  O  O15  1  0.896  0.865  0.140  1.0
  O  O16  1  0.263  0.577  0.928  1.0
  O  O17  1  0.577  0.263  0.428  1.0
  O  O18  1  0.712  0.375  0.665  1.0
  O  O19  1  0.375  0.712  0.165  1.0
  O  O20  1  0.847  0.253  0.994  1.0
  O  O21  1  0.253  0.847  0.494  1.0
  O  O22  1  0.961  0.541  0.524  1.0
  O  O23  1  0.541  0.961  0.024  1.0
[/CIF]
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The material described by KCN4HO5 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 8-coordinate geometry to one N(3), one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one O(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one N(1), one O(3), and one O(5) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one K(1), one C(1), and one N(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one N(3), one O(1), and one O(4) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one N(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(4) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one N(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one K(1) and one N(4) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF file [CIF]
data_KHCN4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   9.837
_cell_angle_alpha   50.477
_cell_angle_beta   50.477
_cell_angle_gamma   47.282
_symmetry_Int_Tables_number   1
_cell_volume   305.113
_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
  K  K0  1  0.266  0.366  0.774  1.0
  K  K1  1  0.366  0.266  0.274  1.0
  H  H2  1  0.603  0.878  0.626  1.0
  H  H3  1  0.878  0.603  0.126  1.0
  C  C4  1  0.319  0.751  0.836  1.0
  C  C5  1  0.751  0.319  0.336  1.0
  N  N6  1  0.552  0.746  0.679  1.0
  N  N7  1  0.746  0.552  0.179  1.0
  N  N8  1  0.752  0.540  0.622  1.0
  N  N9  1  0.540  0.752  0.122  1.0
  N  N10  1  0.981  0.189  0.350  1.0
  N  N11  1  0.189  0.981  0.850  1.0
  N  N12  1  0.972  0.028  1.000  1.0
  N  N13  1  0.028  0.972  0.500  1.0
  O  O14  1  0.865  0.896  0.640  1.0
  O  O15  1  0.896  0.865  0.140  1.0
  O  O16  1  0.263  0.577  0.928  1.0
  O  O17  1  0.577  0.263  0.428  1.0
  O  O18  1  0.712  0.375  0.665  1.0
  O  O19  1  0.375  0.712  0.165  1.0
  O  O20  1  0.847  0.253  0.994  1.0
  O  O21  1  0.253  0.847  0.494  1.0
  O  O22  1  0.961  0.541  0.524  1.0
  O  O23  1  0.541  0.961  0.024  1.0
[/CIF]
.