The structure described by MgB2C8H4(N4O)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent O(1) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. In the second C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_MgB2H4C8(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   10.001
_cell_length_c   10.001
_cell_angle_alpha   102.794
_cell_angle_beta   102.794
_cell_angle_gamma   123.856
_symmetry_Int_Tables_number   1
_cell_volume   732.919
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  B  B2  1  0.125  0.659  0.034  1.0
  B  B3  1  0.625  0.091  0.966  1.0
  B  B4  1  0.341  0.375  0.466  1.0
  B  B5  1  0.909  0.875  0.534  1.0
  H  H6  1  0.272  0.184  0.018  1.0
  H  H7  1  0.084  0.566  0.588  1.0
  H  H8  1  0.166  0.254  0.982  1.0
  H  H9  1  0.978  0.496  0.412  1.0
  H  H10  1  0.816  0.834  0.088  1.0
  H  H11  1  0.504  0.916  0.482  1.0
  H  H12  1  0.746  0.728  0.912  1.0
  H  H13  1  0.434  0.022  0.518  1.0
  C  C14  1  0.276  0.643  0.045  1.0
  C  C15  1  0.652  0.107  0.133  1.0
  C  C16  1  0.598  0.231  0.955  1.0
  C  C17  1  0.974  0.519  0.867  1.0
  C  C18  1  0.357  0.402  0.633  1.0
  C  C19  1  0.481  0.348  0.455  1.0
  C  C20  1  0.769  0.724  0.367  1.0
  C  C21  1  0.893  0.026  0.545  1.0
  C  C22  1  0.193  0.851  0.052  1.0
  C  C23  1  0.451  0.899  0.842  1.0
  C  C24  1  0.799  0.141  0.948  1.0
  C  C25  1  0.057  0.609  0.158  1.0
  C  C26  1  0.149  0.201  0.342  1.0
  C  C27  1  0.391  0.549  0.448  1.0
  C  C28  1  0.859  0.807  0.658  1.0
  C  C29  1  0.101  0.943  0.552  1.0
  N  N30  1  0.377  0.619  0.044  1.0
  N  N31  1  0.675  0.131  0.258  1.0
  N  N32  1  0.575  0.333  0.956  1.0
  N  N33  1  0.873  0.417  0.742  1.0
  N  N34  1  0.381  0.425  0.758  1.0
  N  N35  1  0.583  0.325  0.456  1.0
  N  N36  1  0.667  0.623  0.242  1.0
  N  N37  1  0.869  0.127  0.544  1.0
  N  N38  1  0.240  0.989  0.059  1.0
  N  N39  1  0.320  0.761  0.751  1.0
  N  N40  1  0.930  0.181  0.941  1.0
  N  N41  1  0.010  0.569  0.249  1.0
  N  N42  1  0.011  0.070  0.251  1.0
  N  N43  1  0.431  0.680  0.441  1.0
  N  N44  1  0.819  0.760  0.749  1.0
  N  N45  1  0.239  0.990  0.559  1.0
  O  O46  1  0.281  0.281  0.000  1.0
  O  O47  1  0.969  0.469  0.500  1.0
  O  O48  1  0.719  0.719  0.000  1.0
  O  O49  1  0.531  0.031  0.500  1.0
[/CIF]
.
The structure described by MgB2C8H4(N4O)2 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent O(1) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. In the second C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one C(2) atom. In the second N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_MgB2H4C8(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   10.001
_cell_length_c   10.001
_cell_angle_alpha   102.794
_cell_angle_beta   102.794
_cell_angle_gamma   123.856
_symmetry_Int_Tables_number   1
_cell_volume   732.919
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.750  0.250  0.500  1.0
  B  B2  1  0.125  0.659  0.034  1.0
  B  B3  1  0.625  0.091  0.966  1.0
  B  B4  1  0.341  0.375  0.466  1.0
  B  B5  1  0.909  0.875  0.534  1.0
  H  H6  1  0.272  0.184  0.018  1.0
  H  H7  1  0.084  0.566  0.588  1.0
  H  H8  1  0.166  0.254  0.982  1.0
  H  H9  1  0.978  0.496  0.412  1.0
  H  H10  1  0.816  0.834  0.088  1.0
  H  H11  1  0.504  0.916  0.482  1.0
  H  H12  1  0.746  0.728  0.912  1.0
  H  H13  1  0.434  0.022  0.518  1.0
  C  C14  1  0.276  0.643  0.045  1.0
  C  C15  1  0.652  0.107  0.133  1.0
  C  C16  1  0.598  0.231  0.955  1.0
  C  C17  1  0.974  0.519  0.867  1.0
  C  C18  1  0.357  0.402  0.633  1.0
  C  C19  1  0.481  0.348  0.455  1.0
  C  C20  1  0.769  0.724  0.367  1.0
  C  C21  1  0.893  0.026  0.545  1.0
  C  C22  1  0.193  0.851  0.052  1.0
  C  C23  1  0.451  0.899  0.842  1.0
  C  C24  1  0.799  0.141  0.948  1.0
  C  C25  1  0.057  0.609  0.158  1.0
  C  C26  1  0.149  0.201  0.342  1.0
  C  C27  1  0.391  0.549  0.448  1.0
  C  C28  1  0.859  0.807  0.658  1.0
  C  C29  1  0.101  0.943  0.552  1.0
  N  N30  1  0.377  0.619  0.044  1.0
  N  N31  1  0.675  0.131  0.258  1.0
  N  N32  1  0.575  0.333  0.956  1.0
  N  N33  1  0.873  0.417  0.742  1.0
  N  N34  1  0.381  0.425  0.758  1.0
  N  N35  1  0.583  0.325  0.456  1.0
  N  N36  1  0.667  0.623  0.242  1.0
  N  N37  1  0.869  0.127  0.544  1.0
  N  N38  1  0.240  0.989  0.059  1.0
  N  N39  1  0.320  0.761  0.751  1.0
  N  N40  1  0.930  0.181  0.941  1.0
  N  N41  1  0.010  0.569  0.249  1.0
  N  N42  1  0.011  0.070  0.251  1.0
  N  N43  1  0.431  0.680  0.441  1.0
  N  N44  1  0.819  0.760  0.749  1.0
  N  N45  1  0.239  0.990  0.559  1.0
  O  O46  1  0.281  0.281  0.000  1.0
  O  O47  1  0.969  0.469  0.500  1.0
  O  O48  1  0.719  0.719  0.000  1.0
  O  O49  1  0.531  0.031  0.500  1.0
[/CIF]
.