The material described by K2C7N4O crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(4), three equivalent N(2), and one O(1) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent N(1), three equivalent N(3), and two equivalent O(1) atoms. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one C(4) and one N(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one O(1) atom. In the sixth C site, C(6) is bonded in a distorted linear geometry to one C(4) and one N(4) atom. In the seventh C site, C(7) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one C(1) atom. In the second N site, N(2) is bonded to three equivalent K(1) and one C(3) atom to form a mixture of distorted corner and edge-sharing NK3C trigonal pyramids. In the third N site, N(3) is bonded in a 4-coordinate geometry to three equivalent K(2) and one C(7) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(6) atom. O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one C(5) atom. is represented by the CIF card [CIF]
data_K2C7N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.196
_cell_length_b   8.086
_cell_length_c   14.924
_cell_angle_alpha   99.445
_cell_angle_beta   96.816
_cell_angle_gamma   91.461
_symmetry_Int_Tables_number   1
_cell_volume   495.415
_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  0.307  0.122  0.626  1.0
  K  K1  1  0.693  0.878  0.374  1.0
  K  K2  1  0.186  0.897  0.122  1.0
  K  K3  1  0.814  0.103  0.878  1.0
  C  C4  1  0.685  0.527  0.181  1.0
  C  C5  1  0.315  0.473  0.819  1.0
  C  C6  1  0.658  0.352  0.174  1.0
  C  C7  1  0.342  0.648  0.826  1.0
  C  C8  1  0.119  0.221  0.382  1.0
  C  C9  1  0.881  0.779  0.618  1.0
  C  C10  1  0.003  0.671  0.677  1.0
  C  C11  1  0.997  0.329  0.323  1.0
  C  C12  1  0.792  0.252  0.241  1.0
  C  C13  1  0.208  0.748  0.759  1.0
  C  C14  1  0.099  0.498  0.346  1.0
  C  C15  1  0.901  0.502  0.654  1.0
  C  C16  1  0.480  0.265  0.094  1.0
  C  C17  1  0.520  0.735  0.906  1.0
  N  N18  1  0.305  0.327  0.818  1.0
  N  N19  1  0.695  0.673  0.182  1.0
  N  N20  1  0.219  0.126  0.429  1.0
  N  N21  1  0.781  0.874  0.571  1.0
  N  N22  1  0.330  0.190  0.027  1.0
  N  N23  1  0.670  0.810  0.973  1.0
  N  N24  1  0.191  0.639  0.368  1.0
  N  N25  1  0.809  0.361  0.632  1.0
  O  O26  1  0.732  0.094  0.226  1.0
  O  O27  1  0.268  0.906  0.774  1.0
[/CIF]
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The material described by K2C7N4O crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(4), three equivalent N(2), and one O(1) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent N(1), three equivalent N(3), and two equivalent O(1) atoms. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one C(4) and one N(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one O(1) atom. In the sixth C site, C(6) is bonded in a distorted linear geometry to one C(4) and one N(4) atom. In the seventh C site, C(7) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one C(1) atom. In the second N site, N(2) is bonded to three equivalent K(1) and one C(3) atom to form a mixture of distorted corner and edge-sharing NK3C trigonal pyramids. In the third N site, N(3) is bonded in a 4-coordinate geometry to three equivalent K(2) and one C(7) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(6) atom. O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one C(5) atom. is represented by the CIF card [CIF]
data_K2C7N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.196
_cell_length_b   8.086
_cell_length_c   14.924
_cell_angle_alpha   99.445
_cell_angle_beta   96.816
_cell_angle_gamma   91.461
_symmetry_Int_Tables_number   1
_cell_volume   495.415
_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  0.307  0.122  0.626  1.0
  K  K1  1  0.693  0.878  0.374  1.0
  K  K2  1  0.186  0.897  0.122  1.0
  K  K3  1  0.814  0.103  0.878  1.0
  C  C4  1  0.685  0.527  0.181  1.0
  C  C5  1  0.315  0.473  0.819  1.0
  C  C6  1  0.658  0.352  0.174  1.0
  C  C7  1  0.342  0.648  0.826  1.0
  C  C8  1  0.119  0.221  0.382  1.0
  C  C9  1  0.881  0.779  0.618  1.0
  C  C10  1  0.003  0.671  0.677  1.0
  C  C11  1  0.997  0.329  0.323  1.0
  C  C12  1  0.792  0.252  0.241  1.0
  C  C13  1  0.208  0.748  0.759  1.0
  C  C14  1  0.099  0.498  0.346  1.0
  C  C15  1  0.901  0.502  0.654  1.0
  C  C16  1  0.480  0.265  0.094  1.0
  C  C17  1  0.520  0.735  0.906  1.0
  N  N18  1  0.305  0.327  0.818  1.0
  N  N19  1  0.695  0.673  0.182  1.0
  N  N20  1  0.219  0.126  0.429  1.0
  N  N21  1  0.781  0.874  0.571  1.0
  N  N22  1  0.330  0.190  0.027  1.0
  N  N23  1  0.670  0.810  0.973  1.0
  N  N24  1  0.191  0.639  0.368  1.0
  N  N25  1  0.809  0.361  0.632  1.0
  O  O26  1  0.732  0.094  0.226  1.0
  O  O27  1  0.268  0.906  0.774  1.0
[/CIF]
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