The material described by TmC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Tm(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 N(1), one H(3), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4), one O(2), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(5) and two equivalent O(1) atoms. N(1) is bonded in a trigonal planar geometry to one C(1), 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 Tm(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tm(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tm(1) and one C(2) atom. is represented by the CIF file [CIF]
data_TmH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   6.629
_cell_angle_alpha   75.322
_cell_angle_beta   75.322
_cell_angle_gamma   66.115
_symmetry_Int_Tables_number   1
_cell_volume   257.394
_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
  Tm  Tm0  1  0.549  0.451  0.000  1.0
  H  H1  1  0.739  0.812  0.577  1.0
  H  H2  1  0.188  0.261  0.423  1.0
  H  H3  1  0.024  0.720  0.464  1.0
  H  H4  1  0.280  0.976  0.536  1.0
  H  H5  1  0.989  0.998  0.184  1.0
  H  H6  1  0.002  0.011  0.816  1.0
  H  H7  1  0.392  0.984  0.128  1.0
  H  H8  1  0.016  0.608  0.872  1.0
  H  H9  1  0.634  0.366  0.500  1.0
  C  C10  1  0.835  0.994  0.293  1.0
  C  C11  1  0.006  0.165  0.707  1.0
  C  C12  1  0.493  0.978  0.968  1.0
  C  C13  1  0.022  0.507  0.032  1.0
  C  C14  1  0.482  0.518  0.500  1.0
  N  N15  1  0.865  0.829  0.456  1.0
  N  N16  1  0.171  0.135  0.544  1.0
  O  O17  1  0.404  0.602  0.668  1.0
  O  O18  1  0.398  0.596  0.332  1.0
  O  O19  1  0.537  0.807  0.886  1.0
  O  O20  1  0.193  0.463  0.114  1.0
  O  O21  1  0.649  0.138  0.258  1.0
  O  O22  1  0.862  0.351  0.742  1.0
  O  O23  1  0.863  0.443  0.123  1.0
  O  O24  1  0.557  0.137  0.877  1.0
[/CIF]
.
The material described by TmC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Tm(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 N(1), one H(3), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4), one O(2), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(5) and two equivalent O(1) atoms. N(1) is bonded in a trigonal planar geometry to one C(1), 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 Tm(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tm(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tm(1) and one C(2) atom. is represented by the CIF file [CIF]
data_TmH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   6.629
_cell_angle_alpha   75.322
_cell_angle_beta   75.322
_cell_angle_gamma   66.115
_symmetry_Int_Tables_number   1
_cell_volume   257.394
_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
  Tm  Tm0  1  0.549  0.451  0.000  1.0
  H  H1  1  0.739  0.812  0.577  1.0
  H  H2  1  0.188  0.261  0.423  1.0
  H  H3  1  0.024  0.720  0.464  1.0
  H  H4  1  0.280  0.976  0.536  1.0
  H  H5  1  0.989  0.998  0.184  1.0
  H  H6  1  0.002  0.011  0.816  1.0
  H  H7  1  0.392  0.984  0.128  1.0
  H  H8  1  0.016  0.608  0.872  1.0
  H  H9  1  0.634  0.366  0.500  1.0
  C  C10  1  0.835  0.994  0.293  1.0
  C  C11  1  0.006  0.165  0.707  1.0
  C  C12  1  0.493  0.978  0.968  1.0
  C  C13  1  0.022  0.507  0.032  1.0
  C  C14  1  0.482  0.518  0.500  1.0
  N  N15  1  0.865  0.829  0.456  1.0
  N  N16  1  0.171  0.135  0.544  1.0
  O  O17  1  0.404  0.602  0.668  1.0
  O  O18  1  0.398  0.596  0.332  1.0
  O  O19  1  0.537  0.807  0.886  1.0
  O  O20  1  0.193  0.463  0.114  1.0
  O  O21  1  0.649  0.138  0.258  1.0
  O  O22  1  0.862  0.351  0.742  1.0
  O  O23  1  0.863  0.443  0.123  1.0
  O  O24  1  0.557  0.137  0.877  1.0
[/CIF]
.