The compound described by CrN4Cl3HgCl2N2 crystallizes in the monoclinic Cc space group. The structure consists of four 7727-37-9 molecules and four mercuric chloride molecules inside a CrN4Cl3 framework. In the CrN4Cl3 framework, Cr(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(4), one N(5), and one Cl(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(5) atom. In the second N site, N(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(3) atom. In the third N site, N(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(5) atom. In the fourth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a water-like geometry to one N(3) and one N(5) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Cr(1) atom. In the third Cl site, Cl(5) is bonded in a water-like geometry to one N(1) and one N(4) atom. is represented by the CIF card [CIF]
data_CrHgN6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.587
_cell_length_b   10.964
_cell_length_c   10.229
_cell_angle_alpha   57.595
_cell_angle_beta   66.523
_cell_angle_gamma   50.325
_symmetry_Int_Tables_number   1
_cell_volume   623.417
_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
  Cr  Cr0  1  0.412  0.423  0.530  1.0
  Cr  Cr1  1  0.912  0.135  0.030  1.0
  Hg  Hg2  1  0.773  0.751  0.772  1.0
  Hg  Hg3  1  0.273  0.204  0.272  1.0
  N  N4  1  0.354  0.649  0.352  1.0
  N  N5  1  0.690  0.637  0.431  1.0
  N  N6  1  0.517  0.326  0.387  1.0
  N  N7  1  0.854  0.144  0.852  1.0
  N  N8  1  0.017  0.270  0.887  1.0
  N  N9  1  0.190  0.741  0.931  1.0
  N  N10  1  0.626  0.276  0.636  1.0
  N  N11  1  0.231  0.372  0.623  1.0
  N  N12  1  0.611  0.688  0.524  1.0
  N  N13  1  0.126  0.963  0.136  1.0
  N  N14  1  0.111  0.677  0.024  1.0
  N  N15  1  0.731  0.274  0.123  1.0
  Cl  Cl16  1  0.784  0.884  0.506  1.0
  Cl  Cl17  1  0.284  0.326  0.006  1.0
  Cl  Cl18  1  0.191  0.111  0.535  1.0
  Cl  Cl19  1  0.691  0.663  0.035  1.0
  Cl  Cl20  1  0.231  0.207  0.784  1.0
  Cl  Cl21  1  0.264  0.611  0.653  1.0
  Cl  Cl22  1  0.731  0.278  0.284  1.0
  Cl  Cl23  1  0.764  0.972  0.153  1.0
  Cl  Cl24  1  0.164  0.764  0.258  1.0
  Cl  Cl25  1  0.664  0.314  0.758  1.0
[/CIF]
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The compound described by CrN4Cl3HgCl2N2 crystallizes in the monoclinic Cc space group. The structure consists of four 7727-37-9 molecules and four mercuric chloride molecules inside a CrN4Cl3 framework. In the CrN4Cl3 framework, Cr(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(4), one N(5), and one Cl(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(5) atom. In the second N site, N(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(3) atom. In the third N site, N(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cl(5) atom. In the fourth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a water-like geometry to one N(3) and one N(5) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Cr(1) atom. In the third Cl site, Cl(5) is bonded in a water-like geometry to one N(1) and one N(4) atom. is represented by the CIF card [CIF]
data_CrHgN6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.587
_cell_length_b   10.964
_cell_length_c   10.229
_cell_angle_alpha   57.595
_cell_angle_beta   66.523
_cell_angle_gamma   50.325
_symmetry_Int_Tables_number   1
_cell_volume   623.417
_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
  Cr  Cr0  1  0.412  0.423  0.530  1.0
  Cr  Cr1  1  0.912  0.135  0.030  1.0
  Hg  Hg2  1  0.773  0.751  0.772  1.0
  Hg  Hg3  1  0.273  0.204  0.272  1.0
  N  N4  1  0.354  0.649  0.352  1.0
  N  N5  1  0.690  0.637  0.431  1.0
  N  N6  1  0.517  0.326  0.387  1.0
  N  N7  1  0.854  0.144  0.852  1.0
  N  N8  1  0.017  0.270  0.887  1.0
  N  N9  1  0.190  0.741  0.931  1.0
  N  N10  1  0.626  0.276  0.636  1.0
  N  N11  1  0.231  0.372  0.623  1.0
  N  N12  1  0.611  0.688  0.524  1.0
  N  N13  1  0.126  0.963  0.136  1.0
  N  N14  1  0.111  0.677  0.024  1.0
  N  N15  1  0.731  0.274  0.123  1.0
  Cl  Cl16  1  0.784  0.884  0.506  1.0
  Cl  Cl17  1  0.284  0.326  0.006  1.0
  Cl  Cl18  1  0.191  0.111  0.535  1.0
  Cl  Cl19  1  0.691  0.663  0.035  1.0
  Cl  Cl20  1  0.231  0.207  0.784  1.0
  Cl  Cl21  1  0.264  0.611  0.653  1.0
  Cl  Cl22  1  0.731  0.278  0.284  1.0
  Cl  Cl23  1  0.764  0.972  0.153  1.0
  Cl  Cl24  1  0.164  0.764  0.258  1.0
  Cl  Cl25  1  0.664  0.314  0.758  1.0
[/CIF]
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