The compound described by CaCu(HCOO)4 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(2), one O(1), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(1), 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 C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(1), and one C(2) atom. is represented by the CIF card [CIF]
data_CaCuH4(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.581
_cell_length_b   6.671
_cell_length_c   7.497
_cell_angle_alpha   80.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.302
_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
  Ca  Ca0  1  0.136  0.750  0.000  1.0
  Ca  Ca1  1  0.864  0.250  0.000  1.0
  Cu  Cu2  1  0.401  0.750  0.500  1.0
  Cu  Cu3  1  0.599  0.250  0.500  1.0
  H  H4  1  0.151  0.089  0.414  1.0
  H  H5  1  0.151  0.411  0.586  1.0
  H  H6  1  0.849  0.911  0.586  1.0
  H  H7  1  0.849  0.589  0.414  1.0
  H  H8  1  0.562  0.766  0.836  1.0
  H  H9  1  0.562  0.734  0.164  1.0
  H  H10  1  0.438  0.234  0.164  1.0
  H  H11  1  0.438  0.266  0.836  1.0
  C  C12  1  0.603  0.880  0.200  1.0
  C  C13  1  0.143  0.991  0.309  1.0
  C  C14  1  0.143  0.509  0.691  1.0
  C  C15  1  0.857  0.009  0.691  1.0
  C  C16  1  0.857  0.491  0.309  1.0
  C  C17  1  0.397  0.380  0.200  1.0
  C  C18  1  0.397  0.120  0.800  1.0
  C  C19  1  0.603  0.620  0.800  1.0
  O  O20  1  0.315  0.495  0.090  1.0
  O  O21  1  0.685  0.505  0.910  1.0
  O  O22  1  0.315  0.005  0.910  1.0
  O  O23  1  0.685  0.995  0.090  1.0
  O  O24  1  0.958  0.528  0.185  1.0
  O  O25  1  0.439  0.418  0.356  1.0
  O  O26  1  0.237  0.658  0.684  1.0
  O  O27  1  0.763  0.158  0.684  1.0
  O  O28  1  0.763  0.342  0.316  1.0
  O  O29  1  0.042  0.028  0.185  1.0
  O  O30  1  0.042  0.472  0.815  1.0
  O  O31  1  0.958  0.972  0.815  1.0
  O  O32  1  0.561  0.582  0.644  1.0
  O  O33  1  0.561  0.918  0.356  1.0
  O  O34  1  0.237  0.842  0.316  1.0
  O  O35  1  0.439  0.082  0.644  1.0
[/CIF]
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The compound described by CaCu(HCOO)4 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(2), one O(1), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(1), 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 C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(1), and one C(2) atom. is represented by the CIF card [CIF]
data_CaCuH4(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.581
_cell_length_b   6.671
_cell_length_c   7.497
_cell_angle_alpha   80.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.302
_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
  Ca  Ca0  1  0.136  0.750  0.000  1.0
  Ca  Ca1  1  0.864  0.250  0.000  1.0
  Cu  Cu2  1  0.401  0.750  0.500  1.0
  Cu  Cu3  1  0.599  0.250  0.500  1.0
  H  H4  1  0.151  0.089  0.414  1.0
  H  H5  1  0.151  0.411  0.586  1.0
  H  H6  1  0.849  0.911  0.586  1.0
  H  H7  1  0.849  0.589  0.414  1.0
  H  H8  1  0.562  0.766  0.836  1.0
  H  H9  1  0.562  0.734  0.164  1.0
  H  H10  1  0.438  0.234  0.164  1.0
  H  H11  1  0.438  0.266  0.836  1.0
  C  C12  1  0.603  0.880  0.200  1.0
  C  C13  1  0.143  0.991  0.309  1.0
  C  C14  1  0.143  0.509  0.691  1.0
  C  C15  1  0.857  0.009  0.691  1.0
  C  C16  1  0.857  0.491  0.309  1.0
  C  C17  1  0.397  0.380  0.200  1.0
  C  C18  1  0.397  0.120  0.800  1.0
  C  C19  1  0.603  0.620  0.800  1.0
  O  O20  1  0.315  0.495  0.090  1.0
  O  O21  1  0.685  0.505  0.910  1.0
  O  O22  1  0.315  0.005  0.910  1.0
  O  O23  1  0.685  0.995  0.090  1.0
  O  O24  1  0.958  0.528  0.185  1.0
  O  O25  1  0.439  0.418  0.356  1.0
  O  O26  1  0.237  0.658  0.684  1.0
  O  O27  1  0.763  0.158  0.684  1.0
  O  O28  1  0.763  0.342  0.316  1.0
  O  O29  1  0.042  0.028  0.185  1.0
  O  O30  1  0.042  0.472  0.815  1.0
  O  O31  1  0.958  0.972  0.815  1.0
  O  O32  1  0.561  0.582  0.644  1.0
  O  O33  1  0.561  0.918  0.356  1.0
  O  O34  1  0.237  0.842  0.316  1.0
  O  O35  1  0.439  0.082  0.644  1.0
[/CIF]
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