The material structure described by MnH3(CO2)3C2N crystallizes in the triclinic P1 space group. The structure consists of two ch3nc molecules inside a MnH3(CO2)3 framework. In the MnH3(CO2)3 framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are six 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(12) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(10), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(11), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4), one O(4), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one H(5), one O(5), and one O(9) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one H(6), one O(6), and one O(7) atom. There are six 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. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. There are twelve 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(2) and one C(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(6) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnH3C5NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   7.999
_cell_length_c   8.804
_cell_angle_alpha   89.706
_cell_angle_beta   61.795
_cell_angle_gamma   119.188
_symmetry_Int_Tables_number   1
_cell_volume   414.839
_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  0.999  0.498  0.500  1.0
  Mn  Mn1  1  1.000  0.999  0.000  1.0
  H  H2  1  0.508  0.650  0.245  1.0
  H  H3  1  0.897  0.257  0.258  1.0
  H  H4  1  0.097  0.850  0.246  1.0
  H  H5  1  0.103  0.746  0.742  1.0
  H  H6  1  0.899  0.147  0.753  1.0
  H  H7  1  0.492  0.348  0.755  1.0
  C  C8  1  0.508  0.788  0.247  1.0
  C  C9  1  0.034  0.256  0.256  1.0
  C  C10  1  0.962  0.714  0.247  1.0
  C  C11  1  0.962  0.741  0.746  1.0
  C  C12  1  0.036  0.282  0.752  1.0
  C  C13  1  0.492  0.210  0.753  1.0
  C  C14  1  0.366  0.167  0.419  1.0
  C  C15  1  0.396  0.671  0.918  1.0
  C  C16  1  0.602  0.779  0.581  1.0
  C  C17  1  0.592  0.288  0.081  1.0
  N  N18  1  0.482  0.231  0.249  1.0
  N  N19  1  0.499  0.726  0.750  1.0
  O  O20  1  0.323  0.774  0.340  1.0
  O  O21  1  0.110  0.352  0.350  1.0
  O  O22  1  0.885  0.543  0.340  1.0
  O  O23  1  0.877  0.829  0.839  1.0
  O  O24  1  0.111  0.261  0.846  1.0
  O  O25  1  0.301  0.039  0.846  1.0
  O  O26  1  0.677  0.223  0.661  1.0
  O  O27  1  0.888  0.645  0.651  1.0
  O  O28  1  0.116  0.454  0.658  1.0
  O  O29  1  0.113  0.163  0.166  1.0
  O  O30  1  0.888  0.734  0.152  1.0
  O  O31  1  0.698  0.959  0.154  1.0
[/CIF]
.
The material structure described by MnH3(CO2)3C2N crystallizes in the triclinic P1 space group. The structure consists of two ch3nc molecules inside a MnH3(CO2)3 framework. In the MnH3(CO2)3 framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are six 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(12) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(10), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(11), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4), one O(4), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one H(5), one O(5), and one O(9) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one H(6), one O(6), and one O(7) atom. There are six 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. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. There are twelve 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(2) and one C(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(6) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnH3C5NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   7.999
_cell_length_c   8.804
_cell_angle_alpha   89.706
_cell_angle_beta   61.795
_cell_angle_gamma   119.188
_symmetry_Int_Tables_number   1
_cell_volume   414.839
_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  0.999  0.498  0.500  1.0
  Mn  Mn1  1  1.000  0.999  0.000  1.0
  H  H2  1  0.508  0.650  0.245  1.0
  H  H3  1  0.897  0.257  0.258  1.0
  H  H4  1  0.097  0.850  0.246  1.0
  H  H5  1  0.103  0.746  0.742  1.0
  H  H6  1  0.899  0.147  0.753  1.0
  H  H7  1  0.492  0.348  0.755  1.0
  C  C8  1  0.508  0.788  0.247  1.0
  C  C9  1  0.034  0.256  0.256  1.0
  C  C10  1  0.962  0.714  0.247  1.0
  C  C11  1  0.962  0.741  0.746  1.0
  C  C12  1  0.036  0.282  0.752  1.0
  C  C13  1  0.492  0.210  0.753  1.0
  C  C14  1  0.366  0.167  0.419  1.0
  C  C15  1  0.396  0.671  0.918  1.0
  C  C16  1  0.602  0.779  0.581  1.0
  C  C17  1  0.592  0.288  0.081  1.0
  N  N18  1  0.482  0.231  0.249  1.0
  N  N19  1  0.499  0.726  0.750  1.0
  O  O20  1  0.323  0.774  0.340  1.0
  O  O21  1  0.110  0.352  0.350  1.0
  O  O22  1  0.885  0.543  0.340  1.0
  O  O23  1  0.877  0.829  0.839  1.0
  O  O24  1  0.111  0.261  0.846  1.0
  O  O25  1  0.301  0.039  0.846  1.0
  O  O26  1  0.677  0.223  0.661  1.0
  O  O27  1  0.888  0.645  0.651  1.0
  O  O28  1  0.116  0.454  0.658  1.0
  O  O29  1  0.113  0.163  0.166  1.0
  O  O30  1  0.888  0.734  0.152  1.0
  O  O31  1  0.698  0.959  0.154  1.0
[/CIF]
.