The crystal structure described by GdC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one H(5), and one O(2) atom. N(1) is bonded in a trigonal planar geometry to one C(3), one H(3), and one H(4) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(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(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Gd(1) and one C(2) atom. is represented by the CIF card [CIF]
data_GdH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.720
_cell_angle_alpha   75.230
_cell_angle_beta   75.230
_cell_angle_gamma   65.679
_symmetry_Int_Tables_number   1
_cell_volume   270.394
_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
  Gd  Gd0  1  0.050  0.950  0.000  1.0
  H  H1  1  0.970  0.030  0.500  1.0
  H  H2  1  0.588  0.790  0.120  1.0
  H  H3  1  0.210  0.412  0.880  1.0
  H  H4  1  0.855  0.585  0.417  1.0
  H  H5  1  0.415  0.145  0.583  1.0
  H  H6  1  0.576  0.684  0.533  1.0
  H  H7  1  0.316  0.424  0.467  1.0
  H  H8  1  0.614  0.421  0.817  1.0
  H  H9  1  0.579  0.386  0.183  1.0
  C  C10  1  0.119  0.881  0.500  1.0
  C  C11  1  0.580  0.895  0.964  1.0
  C  C12  1  0.105  0.420  0.036  1.0
  C  C13  1  0.764  0.416  0.704  1.0
  C  C14  1  0.584  0.236  0.296  1.0
  N  N15  1  0.732  0.574  0.540  1.0
  N  N16  1  0.426  0.268  0.460  1.0
  O  O17  1  0.205  0.806  0.665  1.0
  O  O18  1  0.194  0.795  0.335  1.0
  O  O19  1  0.946  0.271  0.736  1.0
  O  O20  1  0.729  0.054  0.264  1.0
  O  O21  1  0.413  0.938  0.883  1.0
  O  O22  1  0.062  0.587  0.117  1.0
  O  O23  1  0.733  0.962  0.878  1.0
  O  O24  1  0.038  0.267  0.122  1.0
[/CIF]
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The crystal structure described by GdC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one H(5), and one O(2) atom. N(1) is bonded in a trigonal planar geometry to one C(3), one H(3), and one H(4) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(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(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Gd(1) and one C(2) atom. is represented by the CIF card [CIF]
data_GdH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.720
_cell_angle_alpha   75.230
_cell_angle_beta   75.230
_cell_angle_gamma   65.679
_symmetry_Int_Tables_number   1
_cell_volume   270.394
_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
  Gd  Gd0  1  0.050  0.950  0.000  1.0
  H  H1  1  0.970  0.030  0.500  1.0
  H  H2  1  0.588  0.790  0.120  1.0
  H  H3  1  0.210  0.412  0.880  1.0
  H  H4  1  0.855  0.585  0.417  1.0
  H  H5  1  0.415  0.145  0.583  1.0
  H  H6  1  0.576  0.684  0.533  1.0
  H  H7  1  0.316  0.424  0.467  1.0
  H  H8  1  0.614  0.421  0.817  1.0
  H  H9  1  0.579  0.386  0.183  1.0
  C  C10  1  0.119  0.881  0.500  1.0
  C  C11  1  0.580  0.895  0.964  1.0
  C  C12  1  0.105  0.420  0.036  1.0
  C  C13  1  0.764  0.416  0.704  1.0
  C  C14  1  0.584  0.236  0.296  1.0
  N  N15  1  0.732  0.574  0.540  1.0
  N  N16  1  0.426  0.268  0.460  1.0
  O  O17  1  0.205  0.806  0.665  1.0
  O  O18  1  0.194  0.795  0.335  1.0
  O  O19  1  0.946  0.271  0.736  1.0
  O  O20  1  0.729  0.054  0.264  1.0
  O  O21  1  0.413  0.938  0.883  1.0
  O  O22  1  0.062  0.587  0.117  1.0
  O  O23  1  0.733  0.962  0.878  1.0
  O  O24  1  0.038  0.267  0.122  1.0
[/CIF]
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