The crystal structure described by NNCuCO(CO2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four carbon dioxide molecules and two NNCuCO clusters. In each NNCuCO cluster, Cu(1) is bonded in a single-bond geometry to one O(5) atom. C(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one O(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(3) and one N(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one C(3) and one N(1) atom. O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuC3N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.558
_cell_length_b   7.790
_cell_length_c   8.818
_cell_angle_alpha   91.654
_cell_angle_beta   110.687
_cell_angle_gamma   114.654
_symmetry_Int_Tables_number   1
_cell_volume   431.862
_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
  Cu  Cu0  1  0.143  0.101  0.128  1.0
  Cu  Cu1  1  0.857  0.899  0.872  1.0
  C  C2  1  0.797  0.778  0.183  1.0
  C  C3  1  0.203  0.222  0.817  1.0
  C  C4  1  0.805  0.238  0.004  1.0
  C  C5  1  0.195  0.762  0.996  1.0
  C  C6  1  0.564  0.270  0.406  1.0
  C  C7  1  0.436  0.730  0.594  1.0
  N  N8  1  0.667  0.159  0.443  1.0
  N  N9  1  0.333  0.841  0.557  1.0
  N  N10  1  0.764  0.351  0.528  1.0
  N  N11  1  0.236  0.649  0.472  1.0
  O  O12  1  0.942  0.864  0.311  1.0
  O  O13  1  0.058  0.136  0.689  1.0
  O  O14  1  0.955  0.337  0.125  1.0
  O  O15  1  0.045  0.663  0.875  1.0
  O  O16  1  0.350  0.311  0.942  1.0
  O  O17  1  0.650  0.689  0.058  1.0
  O  O18  1  0.348  0.856  0.117  1.0
  O  O19  1  0.652  0.144  0.883  1.0
  O  O20  1  0.406  0.288  0.324  1.0
  O  O21  1  0.594  0.712  0.676  1.0
[/CIF]
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The crystal structure described by NNCuCO(CO2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four carbon dioxide molecules and two NNCuCO clusters. In each NNCuCO cluster, Cu(1) is bonded in a single-bond geometry to one O(5) atom. C(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one O(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(3) and one N(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one C(3) and one N(1) atom. O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuC3N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.558
_cell_length_b   7.790
_cell_length_c   8.818
_cell_angle_alpha   91.654
_cell_angle_beta   110.687
_cell_angle_gamma   114.654
_symmetry_Int_Tables_number   1
_cell_volume   431.862
_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
  Cu  Cu0  1  0.143  0.101  0.128  1.0
  Cu  Cu1  1  0.857  0.899  0.872  1.0
  C  C2  1  0.797  0.778  0.183  1.0
  C  C3  1  0.203  0.222  0.817  1.0
  C  C4  1  0.805  0.238  0.004  1.0
  C  C5  1  0.195  0.762  0.996  1.0
  C  C6  1  0.564  0.270  0.406  1.0
  C  C7  1  0.436  0.730  0.594  1.0
  N  N8  1  0.667  0.159  0.443  1.0
  N  N9  1  0.333  0.841  0.557  1.0
  N  N10  1  0.764  0.351  0.528  1.0
  N  N11  1  0.236  0.649  0.472  1.0
  O  O12  1  0.942  0.864  0.311  1.0
  O  O13  1  0.058  0.136  0.689  1.0
  O  O14  1  0.955  0.337  0.125  1.0
  O  O15  1  0.045  0.663  0.875  1.0
  O  O16  1  0.350  0.311  0.942  1.0
  O  O17  1  0.650  0.689  0.058  1.0
  O  O18  1  0.348  0.856  0.117  1.0
  O  O19  1  0.652  0.144  0.883  1.0
  O  O20  1  0.406  0.288  0.324  1.0
  O  O21  1  0.594  0.712  0.676  1.0
[/CIF]
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