The material described by ZnBr4(CN3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four diaziridinimine molecules and two ZnBr4 clusters. In each ZnBr4 cluster, Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Zn(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnC2(Br2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   8.614
_cell_length_c   14.542
_cell_angle_alpha   89.270
_cell_angle_beta   86.129
_cell_angle_gamma   79.690
_symmetry_Int_Tables_number   1
_cell_volume   714.970
_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
  Zn  Zn0  1  0.313  0.076  0.281  1.0
  Zn  Zn1  1  0.687  0.924  0.719  1.0
  C  C2  1  0.728  0.351  0.388  1.0
  C  C3  1  0.272  0.649  0.612  1.0
  C  C4  1  0.810  0.256  0.049  1.0
  C  C5  1  0.190  0.744  0.951  1.0
  Br  Br6  1  0.246  0.269  0.159  1.0
  Br  Br7  1  0.754  0.731  0.841  1.0
  Br  Br8  1  0.299  0.183  0.432  1.0
  Br  Br9  1  0.701  0.817  0.568  1.0
  Br  Br10  1  0.643  0.855  0.242  1.0
  Br  Br11  1  0.357  0.145  0.758  1.0
  Br  Br12  1  0.126  0.842  0.267  1.0
  Br  Br13  1  0.874  0.158  0.733  1.0
  N  N14  1  0.741  0.220  0.424  1.0
  N  N15  1  0.259  0.780  0.576  1.0
  N  N16  1  0.605  0.494  0.349  1.0
  N  N17  1  0.395  0.506  0.651  1.0
  N  N18  1  0.823  0.484  0.351  1.0
  N  N19  1  0.177  0.516  0.649  1.0
  N  N20  1  0.814  0.256  0.133  1.0
  N  N21  1  0.186  0.744  0.867  1.0
  N  N22  1  0.691  0.243  0.966  1.0
  N  N23  1  0.309  0.757  0.034  1.0
  N  N24  1  0.900  0.264  0.955  1.0
  N  N25  1  0.100  0.736  0.045  1.0
[/CIF]
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The material described by ZnBr4(CN3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four diaziridinimine molecules and two ZnBr4 clusters. In each ZnBr4 cluster, Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Zn(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnC2(Br2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   8.614
_cell_length_c   14.542
_cell_angle_alpha   89.270
_cell_angle_beta   86.129
_cell_angle_gamma   79.690
_symmetry_Int_Tables_number   1
_cell_volume   714.970
_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
  Zn  Zn0  1  0.313  0.076  0.281  1.0
  Zn  Zn1  1  0.687  0.924  0.719  1.0
  C  C2  1  0.728  0.351  0.388  1.0
  C  C3  1  0.272  0.649  0.612  1.0
  C  C4  1  0.810  0.256  0.049  1.0
  C  C5  1  0.190  0.744  0.951  1.0
  Br  Br6  1  0.246  0.269  0.159  1.0
  Br  Br7  1  0.754  0.731  0.841  1.0
  Br  Br8  1  0.299  0.183  0.432  1.0
  Br  Br9  1  0.701  0.817  0.568  1.0
  Br  Br10  1  0.643  0.855  0.242  1.0
  Br  Br11  1  0.357  0.145  0.758  1.0
  Br  Br12  1  0.126  0.842  0.267  1.0
  Br  Br13  1  0.874  0.158  0.733  1.0
  N  N14  1  0.741  0.220  0.424  1.0
  N  N15  1  0.259  0.780  0.576  1.0
  N  N16  1  0.605  0.494  0.349  1.0
  N  N17  1  0.395  0.506  0.651  1.0
  N  N18  1  0.823  0.484  0.351  1.0
  N  N19  1  0.177  0.516  0.649  1.0
  N  N20  1  0.814  0.256  0.133  1.0
  N  N21  1  0.186  0.744  0.867  1.0
  N  N22  1  0.691  0.243  0.966  1.0
  N  N23  1  0.309  0.757  0.034  1.0
  N  N24  1  0.900  0.264  0.955  1.0
  N  N25  1  0.100  0.736  0.045  1.0
[/CIF]
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