The crystal structure described by Mn2CuH16(C2N11)2 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent N(2), two equivalent N(4), and two equivalent N(6) atoms to form edge-sharing MnN6 octahedra. Cu(1) is bonded in an octahedral geometry to two equivalent N(1) and four equivalent N(8) atoms. C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(8), one H(1), and one H(2) atom. There are eight inequivalent N sites. In the first N site, N(8) is bonded to one Cu(1), one C(1), one H(3), and one H(4) atom to form distorted corner-sharing NCuH2C tetrahedra. In the second N site, N(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one N(3) atom. In the third N site, N(2) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(1) and one N(3) atom. In the fourth N site, N(3) is bonded in a linear geometry to one N(1) and one N(2) atom. In the fifth N site, N(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one N(5) atom. In the sixth N site, N(5) is bonded in a linear geometry to two equivalent N(4) atoms. In the seventh N site, N(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one N(7) atom. In the eighth N site, N(7) is bonded in a linear geometry to two equivalent N(6) atoms. There are four 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2CuH16(C2N11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   9.390
_cell_length_c   9.390
_cell_angle_alpha   119.333
_cell_angle_beta   92.044
_cell_angle_gamma   92.044
_symmetry_Int_Tables_number   1
_cell_volume   485.102
_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
  Mn  Mn0  1  0.500  0.611  0.389  1.0
  Mn  Mn1  1  0.500  0.389  0.611  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.036  0.644  0.088  1.0
  H  H4  1  0.036  0.088  0.644  1.0
  H  H5  1  0.964  0.356  0.912  1.0
  H  H6  1  0.964  0.912  0.356  1.0
  H  H7  1  0.239  0.802  0.175  1.0
  H  H8  1  0.239  0.175  0.802  1.0
  H  H9  1  0.761  0.198  0.825  1.0
  H  H10  1  0.761  0.825  0.198  1.0
  H  H11  1  0.983  0.689  0.871  1.0
  H  H12  1  0.983  0.871  0.689  1.0
  H  H13  1  0.017  0.311  0.129  1.0
  H  H14  1  0.017  0.129  0.311  1.0
  H  H15  1  0.233  0.755  0.920  1.0
  H  H16  1  0.233  0.920  0.755  1.0
  H  H17  1  0.767  0.245  0.080  1.0
  H  H18  1  0.767  0.080  0.245  1.0
  C  C19  1  0.079  0.770  0.115  1.0
  C  C20  1  0.079  0.115  0.770  1.0
  C  C21  1  0.921  0.230  0.885  1.0
  C  C22  1  0.921  0.885  0.230  1.0
  N  N23  1  0.640  0.871  0.871  1.0
  N  N24  1  0.360  0.129  0.129  1.0
  N  N25  1  0.464  0.641  0.641  1.0
  N  N26  1  0.536  0.359  0.359  1.0
  N  N27  1  0.555  0.757  0.757  1.0
  N  N28  1  0.445  0.243  0.243  1.0
  N  N29  1  0.440  0.869  0.476  1.0
  N  N30  1  0.440  0.476  0.869  1.0
  N  N31  1  0.560  0.131  0.524  1.0
  N  N32  1  0.560  0.524  0.131  1.0
  N  N33  1  0.500  0.000  0.500  1.0
  N  N34  1  0.500  0.500  0.000  1.0
  N  N35  1  0.847  0.677  0.455  1.0
  N  N36  1  0.847  0.455  0.677  1.0
  N  N37  1  0.153  0.323  0.545  1.0
  N  N38  1  0.153  0.545  0.323  1.0
  N  N39  1  0.000  0.611  0.389  1.0
  N  N40  1  0.000  0.389  0.611  1.0
  N  N41  1  0.084  0.778  0.962  1.0
  N  N42  1  0.084  0.962  0.778  1.0
  N  N43  1  0.916  0.222  0.038  1.0
  N  N44  1  0.916  0.038  0.222  1.0
[/CIF]
.
The crystal structure described by Mn2CuH16(C2N11)2 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent N(2), two equivalent N(4), and two equivalent N(6) atoms to form edge-sharing MnN6 octahedra. Cu(1) is bonded in an octahedral geometry to two equivalent N(1) and four equivalent N(8) atoms. C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(8), one H(1), and one H(2) atom. There are eight inequivalent N sites. In the first N site, N(8) is bonded to one Cu(1), one C(1), one H(3), and one H(4) atom to form distorted corner-sharing NCuH2C tetrahedra. In the second N site, N(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one N(3) atom. In the third N site, N(2) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(1) and one N(3) atom. In the fourth N site, N(3) is bonded in a linear geometry to one N(1) and one N(2) atom. In the fifth N site, N(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one N(5) atom. In the sixth N site, N(5) is bonded in a linear geometry to two equivalent N(4) atoms. In the seventh N site, N(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one N(7) atom. In the eighth N site, N(7) is bonded in a linear geometry to two equivalent N(6) atoms. There are four 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2CuH16(C2N11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   9.390
_cell_length_c   9.390
_cell_angle_alpha   119.333
_cell_angle_beta   92.044
_cell_angle_gamma   92.044
_symmetry_Int_Tables_number   1
_cell_volume   485.102
_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
  Mn  Mn0  1  0.500  0.611  0.389  1.0
  Mn  Mn1  1  0.500  0.389  0.611  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.036  0.644  0.088  1.0
  H  H4  1  0.036  0.088  0.644  1.0
  H  H5  1  0.964  0.356  0.912  1.0
  H  H6  1  0.964  0.912  0.356  1.0
  H  H7  1  0.239  0.802  0.175  1.0
  H  H8  1  0.239  0.175  0.802  1.0
  H  H9  1  0.761  0.198  0.825  1.0
  H  H10  1  0.761  0.825  0.198  1.0
  H  H11  1  0.983  0.689  0.871  1.0
  H  H12  1  0.983  0.871  0.689  1.0
  H  H13  1  0.017  0.311  0.129  1.0
  H  H14  1  0.017  0.129  0.311  1.0
  H  H15  1  0.233  0.755  0.920  1.0
  H  H16  1  0.233  0.920  0.755  1.0
  H  H17  1  0.767  0.245  0.080  1.0
  H  H18  1  0.767  0.080  0.245  1.0
  C  C19  1  0.079  0.770  0.115  1.0
  C  C20  1  0.079  0.115  0.770  1.0
  C  C21  1  0.921  0.230  0.885  1.0
  C  C22  1  0.921  0.885  0.230  1.0
  N  N23  1  0.640  0.871  0.871  1.0
  N  N24  1  0.360  0.129  0.129  1.0
  N  N25  1  0.464  0.641  0.641  1.0
  N  N26  1  0.536  0.359  0.359  1.0
  N  N27  1  0.555  0.757  0.757  1.0
  N  N28  1  0.445  0.243  0.243  1.0
  N  N29  1  0.440  0.869  0.476  1.0
  N  N30  1  0.440  0.476  0.869  1.0
  N  N31  1  0.560  0.131  0.524  1.0
  N  N32  1  0.560  0.524  0.131  1.0
  N  N33  1  0.500  0.000  0.500  1.0
  N  N34  1  0.500  0.500  0.000  1.0
  N  N35  1  0.847  0.677  0.455  1.0
  N  N36  1  0.847  0.455  0.677  1.0
  N  N37  1  0.153  0.323  0.545  1.0
  N  N38  1  0.153  0.545  0.323  1.0
  N  N39  1  0.000  0.611  0.389  1.0
  N  N40  1  0.000  0.389  0.611  1.0
  N  N41  1  0.084  0.778  0.962  1.0
  N  N42  1  0.084  0.962  0.778  1.0
  N  N43  1  0.916  0.222  0.038  1.0
  N  N44  1  0.916  0.038  0.222  1.0
[/CIF]
.