The material described by Na2CuH4(C2O5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent O(4), two equivalent O(5), and three equivalent O(3) atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CuH4(C2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   7.594
_cell_length_c   9.564
_cell_angle_alpha   104.021
_cell_angle_beta   98.242
_cell_angle_gamma   103.739
_symmetry_Int_Tables_number   1
_cell_volume   241.258
_cell_formula_units_Z   1
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
  Na  Na0  1  0.690  0.299  0.573  1.0
  Na  Na1  1  0.310  0.701  0.427  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.440  0.529  0.808  1.0
  H  H4  1  0.560  0.471  0.192  1.0
  H  H5  1  0.326  0.324  0.828  1.0
  H  H6  1  0.674  0.676  0.172  1.0
  C  C7  1  0.040  0.220  0.276  1.0
  C  C8  1  0.960  0.780  0.724  1.0
  C  C9  1  0.734  0.028  0.255  1.0
  C  C10  1  0.266  0.972  0.745  1.0
  O  O11  1  0.192  0.235  0.163  1.0
  O  O12  1  0.808  0.765  0.837  1.0
  O  O13  1  0.663  0.907  0.125  1.0
  O  O14  1  0.337  0.093  0.875  1.0
  O  O15  1  0.125  0.345  0.396  1.0
  O  O16  1  0.875  0.655  0.604  1.0
  O  O17  1  0.574  0.001  0.357  1.0
  O  O18  1  0.426  0.999  0.643  1.0
  O  O19  1  0.291  0.397  0.757  1.0
  O  O20  1  0.709  0.603  0.243  1.0
[/CIF]
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The material described by Na2CuH4(C2O5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent O(4), two equivalent O(5), and three equivalent O(3) atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CuH4(C2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   7.594
_cell_length_c   9.564
_cell_angle_alpha   104.021
_cell_angle_beta   98.242
_cell_angle_gamma   103.739
_symmetry_Int_Tables_number   1
_cell_volume   241.258
_cell_formula_units_Z   1
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
  Na  Na0  1  0.690  0.299  0.573  1.0
  Na  Na1  1  0.310  0.701  0.427  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.440  0.529  0.808  1.0
  H  H4  1  0.560  0.471  0.192  1.0
  H  H5  1  0.326  0.324  0.828  1.0
  H  H6  1  0.674  0.676  0.172  1.0
  C  C7  1  0.040  0.220  0.276  1.0
  C  C8  1  0.960  0.780  0.724  1.0
  C  C9  1  0.734  0.028  0.255  1.0
  C  C10  1  0.266  0.972  0.745  1.0
  O  O11  1  0.192  0.235  0.163  1.0
  O  O12  1  0.808  0.765  0.837  1.0
  O  O13  1  0.663  0.907  0.125  1.0
  O  O14  1  0.337  0.093  0.875  1.0
  O  O15  1  0.125  0.345  0.396  1.0
  O  O16  1  0.875  0.655  0.604  1.0
  O  O17  1  0.574  0.001  0.357  1.0
  O  O18  1  0.426  0.999  0.643  1.0
  O  O19  1  0.291  0.397  0.757  1.0
  O  O20  1  0.709  0.603  0.243  1.0
[/CIF]
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