The material described by MgC4H8(N3O2)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MgC4H8(N3O2)2 clusters. Mg(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(2) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(1), and one H(4) atom. is represented by the CIF card [CIF]
data_MgH8C4(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.485
_cell_length_c   9.817
_cell_angle_alpha   80.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.437
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.308  0.169  0.076  1.0
  H  H3  1  0.311  0.851  0.923  1.0
  H  H4  1  0.811  0.149  0.577  1.0
  H  H5  1  0.192  0.169  0.576  1.0
  H  H6  1  0.244  0.986  0.789  1.0
  H  H7  1  0.256  0.986  0.289  1.0
  H  H8  1  0.689  0.149  0.077  1.0
  H  H9  1  0.744  0.014  0.711  1.0
  H  H10  1  0.756  0.014  0.211  1.0
  H  H11  1  0.140  0.234  0.154  1.0
  H  H12  1  0.189  0.851  0.423  1.0
  H  H13  1  0.808  0.831  0.424  1.0
  H  H14  1  0.640  0.766  0.346  1.0
  H  H15  1  0.860  0.766  0.846  1.0
  H  H16  1  0.692  0.831  0.924  1.0
  H  H17  1  0.360  0.234  0.654  1.0
  C  C18  1  0.477  0.352  0.872  1.0
  C  C19  1  0.538  0.403  0.306  1.0
  C  C20  1  0.977  0.648  0.628  1.0
  C  C21  1  0.038  0.597  0.194  1.0
  C  C22  1  0.523  0.648  0.128  1.0
  C  C23  1  0.962  0.403  0.806  1.0
  C  C24  1  0.023  0.352  0.372  1.0
  C  C25  1  0.462  0.597  0.694  1.0
  N  N26  1  0.527  0.254  0.366  1.0
  N  N27  1  1.000  0.265  0.482  1.0
  N  N28  1  0.027  0.746  0.134  1.0
  N  N29  1  0.000  0.735  0.518  1.0
  N  N30  1  0.973  0.254  0.866  1.0
  N  N31  1  0.057  0.427  0.246  1.0
  N  N32  1  0.500  0.265  0.982  1.0
  N  N33  1  0.473  0.746  0.634  1.0
  N  N34  1  0.557  0.573  0.254  1.0
  N  N35  1  0.943  0.573  0.754  1.0
  N  N36  1  0.500  0.735  0.018  1.0
  N  N37  1  0.443  0.427  0.746  1.0
  O  O38  1  0.205  0.920  0.879  1.0
  O  O39  1  0.705  0.080  0.621  1.0
  O  O40  1  0.693  0.875  0.376  1.0
  O  O41  1  0.193  0.125  0.124  1.0
  O  O42  1  0.307  0.125  0.624  1.0
  O  O43  1  0.795  0.080  0.121  1.0
  O  O44  1  0.807  0.875  0.876  1.0
  O  O45  1  0.295  0.920  0.379  1.0
[/CIF]
.
The material described by MgC4H8(N3O2)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MgC4H8(N3O2)2 clusters. Mg(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Mg(1) and one C(2) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(1), and one H(4) atom. is represented by the CIF card [CIF]
data_MgH8C4(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.485
_cell_length_c   9.817
_cell_angle_alpha   80.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.437
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.308  0.169  0.076  1.0
  H  H3  1  0.311  0.851  0.923  1.0
  H  H4  1  0.811  0.149  0.577  1.0
  H  H5  1  0.192  0.169  0.576  1.0
  H  H6  1  0.244  0.986  0.789  1.0
  H  H7  1  0.256  0.986  0.289  1.0
  H  H8  1  0.689  0.149  0.077  1.0
  H  H9  1  0.744  0.014  0.711  1.0
  H  H10  1  0.756  0.014  0.211  1.0
  H  H11  1  0.140  0.234  0.154  1.0
  H  H12  1  0.189  0.851  0.423  1.0
  H  H13  1  0.808  0.831  0.424  1.0
  H  H14  1  0.640  0.766  0.346  1.0
  H  H15  1  0.860  0.766  0.846  1.0
  H  H16  1  0.692  0.831  0.924  1.0
  H  H17  1  0.360  0.234  0.654  1.0
  C  C18  1  0.477  0.352  0.872  1.0
  C  C19  1  0.538  0.403  0.306  1.0
  C  C20  1  0.977  0.648  0.628  1.0
  C  C21  1  0.038  0.597  0.194  1.0
  C  C22  1  0.523  0.648  0.128  1.0
  C  C23  1  0.962  0.403  0.806  1.0
  C  C24  1  0.023  0.352  0.372  1.0
  C  C25  1  0.462  0.597  0.694  1.0
  N  N26  1  0.527  0.254  0.366  1.0
  N  N27  1  1.000  0.265  0.482  1.0
  N  N28  1  0.027  0.746  0.134  1.0
  N  N29  1  0.000  0.735  0.518  1.0
  N  N30  1  0.973  0.254  0.866  1.0
  N  N31  1  0.057  0.427  0.246  1.0
  N  N32  1  0.500  0.265  0.982  1.0
  N  N33  1  0.473  0.746  0.634  1.0
  N  N34  1  0.557  0.573  0.254  1.0
  N  N35  1  0.943  0.573  0.754  1.0
  N  N36  1  0.500  0.735  0.018  1.0
  N  N37  1  0.443  0.427  0.746  1.0
  O  O38  1  0.205  0.920  0.879  1.0
  O  O39  1  0.705  0.080  0.621  1.0
  O  O40  1  0.693  0.875  0.376  1.0
  O  O41  1  0.193  0.125  0.124  1.0
  O  O42  1  0.307  0.125  0.624  1.0
  O  O43  1  0.795  0.080  0.121  1.0
  O  O44  1  0.807  0.875  0.876  1.0
  O  O45  1  0.295  0.920  0.379  1.0
[/CIF]
.