The structure described by ErC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Er(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(3), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(3) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one H(5), and one O(4) atom. N(1) is bonded in a trigonal planar geometry to one C(3), one H(1), and one H(2) atom. There are five 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) 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 Er(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Er(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Er(1) and one C(3) atom. is represented by the CIF card [CIF]
data_ErH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.678
_cell_length_b   6.678
_cell_length_c   6.623
_cell_angle_alpha   73.931
_cell_angle_beta   73.931
_cell_angle_gamma   64.981
_symmetry_Int_Tables_number   1
_cell_volume   252.841
_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
  Er  Er0  1  0.001  0.999  0.000  1.0
  H  H1  1  0.815  0.654  0.421  1.0
  H  H2  1  0.346  0.185  0.579  1.0
  H  H3  1  0.520  0.738  0.520  1.0
  H  H4  1  0.262  0.480  0.480  1.0
  H  H5  1  0.166  0.461  0.873  1.0
  H  H6  1  0.539  0.834  0.127  1.0
  H  H7  1  0.912  0.088  0.500  1.0
  H  H8  1  0.548  0.457  0.799  1.0
  H  H9  1  0.543  0.452  0.201  1.0
  C  C10  1  0.061  0.468  0.035  1.0
  C  C11  1  0.532  0.939  0.965  1.0
  C  C12  1  0.066  0.934  0.500  1.0
  C  C13  1  0.708  0.467  0.700  1.0
  C  C14  1  0.533  0.292  0.300  1.0
  N  N15  1  0.682  0.635  0.536  1.0
  N  N16  1  0.365  0.318  0.464  1.0
  O  O17  1  0.992  0.310  0.126  1.0
  O  O18  1  0.690  0.008  0.874  1.0
  O  O19  1  0.019  0.637  0.115  1.0
  O  O20  1  0.363  0.981  0.885  1.0
  O  O21  1  0.155  0.858  0.666  1.0
  O  O22  1  0.142  0.845  0.334  1.0
  O  O23  1  0.895  0.326  0.744  1.0
  O  O24  1  0.674  0.105  0.256  1.0
[/CIF]
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The structure described by ErC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Er(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(3), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(3) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one H(5), and one O(4) atom. N(1) is bonded in a trigonal planar geometry to one C(3), one H(1), and one H(2) atom. There are five 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) 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 Er(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Er(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Er(1) and one C(3) atom. is represented by the CIF card [CIF]
data_ErH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.678
_cell_length_b   6.678
_cell_length_c   6.623
_cell_angle_alpha   73.931
_cell_angle_beta   73.931
_cell_angle_gamma   64.981
_symmetry_Int_Tables_number   1
_cell_volume   252.841
_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
  Er  Er0  1  0.001  0.999  0.000  1.0
  H  H1  1  0.815  0.654  0.421  1.0
  H  H2  1  0.346  0.185  0.579  1.0
  H  H3  1  0.520  0.738  0.520  1.0
  H  H4  1  0.262  0.480  0.480  1.0
  H  H5  1  0.166  0.461  0.873  1.0
  H  H6  1  0.539  0.834  0.127  1.0
  H  H7  1  0.912  0.088  0.500  1.0
  H  H8  1  0.548  0.457  0.799  1.0
  H  H9  1  0.543  0.452  0.201  1.0
  C  C10  1  0.061  0.468  0.035  1.0
  C  C11  1  0.532  0.939  0.965  1.0
  C  C12  1  0.066  0.934  0.500  1.0
  C  C13  1  0.708  0.467  0.700  1.0
  C  C14  1  0.533  0.292  0.300  1.0
  N  N15  1  0.682  0.635  0.536  1.0
  N  N16  1  0.365  0.318  0.464  1.0
  O  O17  1  0.992  0.310  0.126  1.0
  O  O18  1  0.690  0.008  0.874  1.0
  O  O19  1  0.019  0.637  0.115  1.0
  O  O20  1  0.363  0.981  0.885  1.0
  O  O21  1  0.155  0.858  0.666  1.0
  O  O22  1  0.142  0.845  0.334  1.0
  O  O23  1  0.895  0.326  0.744  1.0
  O  O24  1  0.674  0.105  0.256  1.0
[/CIF]
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