The crystal structure described by ZnC2(N3Br2)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ZnC2(N3Br2)2 clusters. Zn(1) is bonded in a distorted trigonal pyramidal geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(4), one N(5), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(1) and one N(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) and one Br(2) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one C(1) and one N(1) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one C(2) and one N(6) atom. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one C(2) and one Br(1) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one C(2) and one N(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one N(5) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one Zn(1) and one N(2) 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 file [CIF]
data_ZnC2(Br2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.019
_cell_length_b   7.940
_cell_length_c   12.676
_cell_angle_alpha   74.199
_cell_angle_beta   86.379
_cell_angle_gamma   85.936
_symmetry_Int_Tables_number   1
_cell_volume   677.379
_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  0.017  0.625  0.738  1.0
  Zn  Zn1  1  0.983  0.375  0.262  1.0
  C  C2  1  0.654  0.336  0.617  1.0
  C  C3  1  0.346  0.664  0.383  1.0
  C  C4  1  0.756  0.274  0.962  1.0
  C  C5  1  0.244  0.726  0.038  1.0
  Br  Br6  1  0.708  0.626  0.875  1.0
  Br  Br7  1  0.292  0.374  0.125  1.0
  Br  Br8  1  0.770  0.666  0.559  1.0
  Br  Br9  1  0.230  0.334  0.441  1.0
  Br  Br10  1  0.106  0.331  0.768  1.0
  Br  Br11  1  0.894  0.669  0.232  1.0
  Br  Br12  1  0.117  0.905  0.698  1.0
  Br  Br13  1  0.883  0.095  0.302  1.0
  N  N14  1  0.778  0.214  0.581  1.0
  N  N15  1  0.222  0.786  0.419  1.0
  N  N16  1  0.592  0.482  0.630  1.0
  N  N17  1  0.408  0.518  0.370  1.0
  N  N18  1  0.625  0.157  0.638  1.0
  N  N19  1  0.375  0.843  0.362  1.0
  N  N20  1  0.750  0.166  0.891  1.0
  N  N21  1  0.250  0.834  0.109  1.0
  N  N22  1  0.749  0.410  0.995  1.0
  N  N23  1  0.251  0.590  0.005  1.0
  N  N24  1  0.776  0.091  0.994  1.0
  N  N25  1  0.224  0.909  0.006  1.0
[/CIF]
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The crystal structure described by ZnC2(N3Br2)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ZnC2(N3Br2)2 clusters. Zn(1) is bonded in a distorted trigonal pyramidal geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(4), one N(5), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(1) and one N(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) and one Br(2) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one C(1) and one N(1) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one C(2) and one N(6) atom. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one C(2) and one Br(1) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one C(2) and one N(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one N(5) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one Zn(1) and one N(2) 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 file [CIF]
data_ZnC2(Br2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.019
_cell_length_b   7.940
_cell_length_c   12.676
_cell_angle_alpha   74.199
_cell_angle_beta   86.379
_cell_angle_gamma   85.936
_symmetry_Int_Tables_number   1
_cell_volume   677.379
_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  0.017  0.625  0.738  1.0
  Zn  Zn1  1  0.983  0.375  0.262  1.0
  C  C2  1  0.654  0.336  0.617  1.0
  C  C3  1  0.346  0.664  0.383  1.0
  C  C4  1  0.756  0.274  0.962  1.0
  C  C5  1  0.244  0.726  0.038  1.0
  Br  Br6  1  0.708  0.626  0.875  1.0
  Br  Br7  1  0.292  0.374  0.125  1.0
  Br  Br8  1  0.770  0.666  0.559  1.0
  Br  Br9  1  0.230  0.334  0.441  1.0
  Br  Br10  1  0.106  0.331  0.768  1.0
  Br  Br11  1  0.894  0.669  0.232  1.0
  Br  Br12  1  0.117  0.905  0.698  1.0
  Br  Br13  1  0.883  0.095  0.302  1.0
  N  N14  1  0.778  0.214  0.581  1.0
  N  N15  1  0.222  0.786  0.419  1.0
  N  N16  1  0.592  0.482  0.630  1.0
  N  N17  1  0.408  0.518  0.370  1.0
  N  N18  1  0.625  0.157  0.638  1.0
  N  N19  1  0.375  0.843  0.362  1.0
  N  N20  1  0.750  0.166  0.891  1.0
  N  N21  1  0.250  0.834  0.109  1.0
  N  N22  1  0.749  0.410  0.995  1.0
  N  N23  1  0.251  0.590  0.005  1.0
  N  N24  1  0.776  0.091  0.994  1.0
  N  N25  1  0.224  0.909  0.006  1.0
[/CIF]
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