The material structure described by MnH3(CO2)3C2N crystallizes in the monoclinic Cc space group. The structure consists of four ch3nc molecules inside a MnH3(CO2)3 framework. In the MnH3(CO2)3 framework, Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(4) atom. There are three 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 C(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(1) atom. is represented by the CIF file [CIF]
data_MnH3C5NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.986
_cell_length_b   7.986
_cell_length_c   8.698
_cell_angle_alpha   63.041
_cell_angle_beta   63.041
_cell_angle_gamma   61.504
_symmetry_Int_Tables_number   1
_cell_volume   414.182
_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
  Mn  Mn0  1  0.497  1.000  0.500  1.0
  Mn  Mn1  1  1.000  0.497  0.000  1.0
  H  H2  1  0.745  0.655  0.743  1.0
  H  H3  1  0.152  0.851  0.747  1.0
  H  H4  1  0.340  0.255  0.759  1.0
  H  H5  1  0.851  0.152  0.247  1.0
  H  H6  1  0.655  0.745  0.243  1.0
  H  H7  1  0.255  0.340  0.259  1.0
  C  C8  1  0.744  0.793  0.744  1.0
  C  C9  1  0.285  0.715  0.749  1.0
  C  C10  1  0.203  0.255  0.757  1.0
  C  C11  1  0.715  0.285  0.249  1.0
  C  C12  1  0.793  0.744  0.244  1.0
  C  C13  1  0.255  0.203  0.257  1.0
  C  C14  1  0.785  0.306  0.581  1.0
  C  C15  1  0.306  0.785  0.081  1.0
  C  C16  1  0.197  0.674  0.419  1.0
  C  C17  1  0.674  0.197  0.919  1.0
  N  N18  1  0.731  0.252  0.750  1.0
  N  N19  1  0.252  0.731  0.250  1.0
  O  O20  1  0.648  0.962  0.650  1.0
  O  O21  1  0.456  0.733  0.655  1.0
  O  O22  1  0.214  0.163  0.666  1.0
  O  O23  1  0.733  0.456  0.155  1.0
  O  O24  1  0.962  0.648  0.150  1.0
  O  O25  1  0.163  0.214  0.166  1.0
  O  O26  1  0.351  0.034  0.350  1.0
  O  O27  1  0.543  0.264  0.344  1.0
  O  O28  1  0.783  0.834  0.335  1.0
  O  O29  1  0.264  0.543  0.844  1.0
  O  O30  1  0.034  0.351  0.850  1.0
  O  O31  1  0.834  0.783  0.835  1.0
[/CIF]
.
The material structure described by MnH3(CO2)3C2N crystallizes in the monoclinic Cc space group. The structure consists of four ch3nc molecules inside a MnH3(CO2)3 framework. In the MnH3(CO2)3 framework, Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(4) atom. There are three 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 C(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(1) atom. is represented by the CIF file [CIF]
data_MnH3C5NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.986
_cell_length_b   7.986
_cell_length_c   8.698
_cell_angle_alpha   63.041
_cell_angle_beta   63.041
_cell_angle_gamma   61.504
_symmetry_Int_Tables_number   1
_cell_volume   414.182
_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
  Mn  Mn0  1  0.497  1.000  0.500  1.0
  Mn  Mn1  1  1.000  0.497  0.000  1.0
  H  H2  1  0.745  0.655  0.743  1.0
  H  H3  1  0.152  0.851  0.747  1.0
  H  H4  1  0.340  0.255  0.759  1.0
  H  H5  1  0.851  0.152  0.247  1.0
  H  H6  1  0.655  0.745  0.243  1.0
  H  H7  1  0.255  0.340  0.259  1.0
  C  C8  1  0.744  0.793  0.744  1.0
  C  C9  1  0.285  0.715  0.749  1.0
  C  C10  1  0.203  0.255  0.757  1.0
  C  C11  1  0.715  0.285  0.249  1.0
  C  C12  1  0.793  0.744  0.244  1.0
  C  C13  1  0.255  0.203  0.257  1.0
  C  C14  1  0.785  0.306  0.581  1.0
  C  C15  1  0.306  0.785  0.081  1.0
  C  C16  1  0.197  0.674  0.419  1.0
  C  C17  1  0.674  0.197  0.919  1.0
  N  N18  1  0.731  0.252  0.750  1.0
  N  N19  1  0.252  0.731  0.250  1.0
  O  O20  1  0.648  0.962  0.650  1.0
  O  O21  1  0.456  0.733  0.655  1.0
  O  O22  1  0.214  0.163  0.666  1.0
  O  O23  1  0.733  0.456  0.155  1.0
  O  O24  1  0.962  0.648  0.150  1.0
  O  O25  1  0.163  0.214  0.166  1.0
  O  O26  1  0.351  0.034  0.350  1.0
  O  O27  1  0.543  0.264  0.344  1.0
  O  O28  1  0.783  0.834  0.335  1.0
  O  O29  1  0.264  0.543  0.844  1.0
  O  O30  1  0.034  0.351  0.850  1.0
  O  O31  1  0.834  0.783  0.835  1.0
[/CIF]
.