The compound described by PdN4H12CuC4H2O9(H2O)2 is Indium-derived structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four water molecules, two CuC4H2O9 clusters, and two PdN4H12 clusters. In each CuC4H2O9 cluster, Cu(1) is bonded in a square pyramidal geometry to one O(6), two equivalent O(4), and two equivalent O(5) 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(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(5) atom. H(9) is bonded in a single-bond geometry to one O(6) atom. There are five inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent H(9) atoms. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. In each PdN4H12 cluster, Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(1), one H(3), and one H(5) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(2), one H(4), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. is represented by the CIF card [CIF]
data_CuH18PdC4N4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.155
_cell_length_b   7.383
_cell_length_c   9.098
_cell_angle_alpha   66.605
_cell_angle_beta   66.846
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.574
_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
  Cu  Cu0  1  0.521  0.500  0.000  1.0
  H  H1  1  0.784  0.190  0.831  1.0
  H  H2  1  0.388  0.981  0.829  1.0
  H  H3  1  0.615  0.810  0.169  1.0
  H  H4  1  0.216  0.019  0.171  1.0
  H  H5  1  0.011  0.189  0.684  1.0
  H  H6  1  0.304  0.125  0.684  1.0
  H  H7  1  0.695  0.811  0.316  1.0
  H  H8  1  0.988  0.875  0.316  1.0
  H  H9  1  0.827  0.985  0.798  1.0
  H  H10  1  0.376  0.217  0.798  1.0
  H  H11  1  0.625  0.015  0.202  1.0
  H  H12  1  0.174  0.783  0.202  1.0
  H  H13  1  0.789  0.190  0.403  1.0
  H  H14  1  0.813  0.406  0.395  1.0
  H  H15  1  0.192  0.810  0.597  1.0
  H  H16  1  0.208  0.594  0.605  1.0
  H  H17  1  0.963  0.552  0.891  1.0
  H  H18  1  0.854  0.448  0.109  1.0
  Pd  Pd19  1  0.001  0.000  0.000  1.0
  C  C20  1  0.324  0.432  0.348  1.0
  C  C21  1  0.321  0.223  0.346  1.0
  C  C22  1  0.672  0.568  0.652  1.0
  C  C23  1  0.668  0.777  0.654  1.0
  N  N24  1  0.892  0.102  0.807  1.0
  N  N25  1  0.302  0.092  0.806  1.0
  N  N26  1  0.699  0.898  0.193  1.0
  N  N27  1  0.108  0.908  0.194  1.0
  O  O28  1  0.255  0.438  0.494  1.0
  O  O29  1  0.246  0.071  0.491  1.0
  O  O30  1  0.750  0.562  0.506  1.0
  O  O31  1  0.737  0.929  0.509  1.0
  O  O32  1  0.848  0.333  0.321  1.0
  O  O33  1  0.168  0.667  0.679  1.0
  O  O34  1  0.398  0.585  0.195  1.0
  O  O35  1  0.400  0.223  0.192  1.0
  O  O36  1  0.593  0.415  0.805  1.0
  O  O37  1  0.592  0.777  0.808  1.0
  O  O38  1  0.830  0.500  0.000  1.0
[/CIF]
.
The compound described by PdN4H12CuC4H2O9(H2O)2 is Indium-derived structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four water molecules, two CuC4H2O9 clusters, and two PdN4H12 clusters. In each CuC4H2O9 cluster, Cu(1) is bonded in a square pyramidal geometry to one O(6), two equivalent O(4), and two equivalent O(5) 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(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(5) atom. H(9) is bonded in a single-bond geometry to one O(6) atom. There are five inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent H(9) atoms. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. In each PdN4H12 cluster, Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(1), one H(3), and one H(5) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(2), one H(4), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. is represented by the CIF card [CIF]
data_CuH18PdC4N4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.155
_cell_length_b   7.383
_cell_length_c   9.098
_cell_angle_alpha   66.605
_cell_angle_beta   66.846
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.574
_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
  Cu  Cu0  1  0.521  0.500  0.000  1.0
  H  H1  1  0.784  0.190  0.831  1.0
  H  H2  1  0.388  0.981  0.829  1.0
  H  H3  1  0.615  0.810  0.169  1.0
  H  H4  1  0.216  0.019  0.171  1.0
  H  H5  1  0.011  0.189  0.684  1.0
  H  H6  1  0.304  0.125  0.684  1.0
  H  H7  1  0.695  0.811  0.316  1.0
  H  H8  1  0.988  0.875  0.316  1.0
  H  H9  1  0.827  0.985  0.798  1.0
  H  H10  1  0.376  0.217  0.798  1.0
  H  H11  1  0.625  0.015  0.202  1.0
  H  H12  1  0.174  0.783  0.202  1.0
  H  H13  1  0.789  0.190  0.403  1.0
  H  H14  1  0.813  0.406  0.395  1.0
  H  H15  1  0.192  0.810  0.597  1.0
  H  H16  1  0.208  0.594  0.605  1.0
  H  H17  1  0.963  0.552  0.891  1.0
  H  H18  1  0.854  0.448  0.109  1.0
  Pd  Pd19  1  0.001  0.000  0.000  1.0
  C  C20  1  0.324  0.432  0.348  1.0
  C  C21  1  0.321  0.223  0.346  1.0
  C  C22  1  0.672  0.568  0.652  1.0
  C  C23  1  0.668  0.777  0.654  1.0
  N  N24  1  0.892  0.102  0.807  1.0
  N  N25  1  0.302  0.092  0.806  1.0
  N  N26  1  0.699  0.898  0.193  1.0
  N  N27  1  0.108  0.908  0.194  1.0
  O  O28  1  0.255  0.438  0.494  1.0
  O  O29  1  0.246  0.071  0.491  1.0
  O  O30  1  0.750  0.562  0.506  1.0
  O  O31  1  0.737  0.929  0.509  1.0
  O  O32  1  0.848  0.333  0.321  1.0
  O  O33  1  0.168  0.667  0.679  1.0
  O  O34  1  0.398  0.585  0.195  1.0
  O  O35  1  0.400  0.223  0.192  1.0
  O  O36  1  0.593  0.415  0.805  1.0
  O  O37  1  0.592  0.777  0.808  1.0
  O  O38  1  0.830  0.500  0.000  1.0
[/CIF]
.