The material described by HgCl2HgC4NCl3C4NCl is Indium-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two mercuric chloride molecules, two C4NCl clusters, and two HgC4NCl3 clusters. In each C4NCl cluster, there are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(3) and one N(1) atom. In the second C site, C(2) is bonded in a single-bond geometry to one N(1) atom. In the third C site, C(3) is bonded in a linear geometry to one C(1) and one C(4) atom. In the fourth C site, C(4) is bonded in a distorted linear geometry to one C(3) and one Cl(4) atom. N(1) is bonded in a linear geometry to one C(1) and one C(2) atom. Cl(4) is bonded in a single-bond geometry to one C(4) atom. In each HgC4NCl3 cluster, Hg(1) is bonded in a distorted T-shaped geometry to one C(5), one Cl(1), and one Cl(3) atom. There are four inequivalent C sites. In the first C site, C(5) is bonded in a bent 150 degrees geometry to one Hg(1) and one N(2) atom. In the second C site, C(6) is bonded in a distorted linear geometry to one C(8) and one N(2) atom. In the third C site, C(7) is bonded in a distorted linear geometry to one C(8) and one Cl(2) atom. In the fourth C site, C(8) is bonded in a linear geometry to one C(6) and one C(7) atom. N(2) is bonded in a linear geometry to one C(5) and one C(6) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(7) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Hg(1) atom. is represented by the CIF card [CIF]
data_HgC4NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.505
_cell_length_b   7.923
_cell_length_c   9.422
_cell_angle_alpha   79.388
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1137.623
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.459  0.072  0.728  1.0
  Hg  Hg1  1  0.959  0.928  0.272  1.0
  Hg  Hg2  1  0.402  0.616  0.692  1.0
  Hg  Hg3  1  0.902  0.384  0.308  1.0
  C  C4  1  0.629  0.464  0.230  1.0
  C  C5  1  0.129  0.536  0.770  1.0
  C  C6  1  0.645  0.558  0.465  1.0
  C  C7  1  0.145  0.442  0.535  1.0
  C  C8  1  0.627  0.449  0.096  1.0
  C  C9  1  0.127  0.551  0.904  1.0
  C  C10  1  0.623  0.421  0.969  1.0
  C  C11  1  0.123  0.579  0.031  1.0
  C  C12  1  0.351  0.019  0.535  1.0
  C  C13  1  0.851  0.981  0.465  1.0
  C  C14  1  0.299  0.055  0.283  1.0
  C  C15  1  0.799  0.945  0.717  1.0
  C  C16  1  0.208  0.076  0.055  1.0
  C  C17  1  0.708  0.924  0.945  1.0
  C  C18  1  0.251  0.063  0.170  1.0
  C  C19  1  0.751  0.937  0.830  1.0
  N  N20  1  0.638  0.515  0.349  1.0
  N  N21  1  0.138  0.485  0.651  1.0
  N  N22  1  0.325  0.038  0.412  1.0
  N  N23  1  0.825  0.962  0.588  1.0
  Cl  Cl24  1  0.568  0.933  0.619  1.0
  Cl  Cl25  1  0.068  0.067  0.381  1.0
  Cl  Cl26  1  0.644  0.944  0.074  1.0
  Cl  Cl27  1  0.144  0.056  0.926  1.0
  Cl  Cl28  1  0.387  0.242  0.871  1.0
  Cl  Cl29  1  0.887  0.758  0.129  1.0
  Cl  Cl30  1  0.632  0.428  0.798  1.0
  Cl  Cl31  1  0.132  0.572  0.202  1.0
  Cl  Cl32  1  0.391  0.538  0.469  1.0
  Cl  Cl33  1  0.891  0.462  0.531  1.0
  Cl  Cl34  1  0.407  0.711  0.911  1.0
  Cl  Cl35  1  0.907  0.289  0.089  1.0
[/CIF]
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The material described by HgCl2HgC4NCl3C4NCl is Indium-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two mercuric chloride molecules, two C4NCl clusters, and two HgC4NCl3 clusters. In each C4NCl cluster, there are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(3) and one N(1) atom. In the second C site, C(2) is bonded in a single-bond geometry to one N(1) atom. In the third C site, C(3) is bonded in a linear geometry to one C(1) and one C(4) atom. In the fourth C site, C(4) is bonded in a distorted linear geometry to one C(3) and one Cl(4) atom. N(1) is bonded in a linear geometry to one C(1) and one C(2) atom. Cl(4) is bonded in a single-bond geometry to one C(4) atom. In each HgC4NCl3 cluster, Hg(1) is bonded in a distorted T-shaped geometry to one C(5), one Cl(1), and one Cl(3) atom. There are four inequivalent C sites. In the first C site, C(5) is bonded in a bent 150 degrees geometry to one Hg(1) and one N(2) atom. In the second C site, C(6) is bonded in a distorted linear geometry to one C(8) and one N(2) atom. In the third C site, C(7) is bonded in a distorted linear geometry to one C(8) and one Cl(2) atom. In the fourth C site, C(8) is bonded in a linear geometry to one C(6) and one C(7) atom. N(2) is bonded in a linear geometry to one C(5) and one C(6) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(7) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Hg(1) atom. is represented by the CIF card [CIF]
data_HgC4NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.505
_cell_length_b   7.923
_cell_length_c   9.422
_cell_angle_alpha   79.388
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1137.623
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.459  0.072  0.728  1.0
  Hg  Hg1  1  0.959  0.928  0.272  1.0
  Hg  Hg2  1  0.402  0.616  0.692  1.0
  Hg  Hg3  1  0.902  0.384  0.308  1.0
  C  C4  1  0.629  0.464  0.230  1.0
  C  C5  1  0.129  0.536  0.770  1.0
  C  C6  1  0.645  0.558  0.465  1.0
  C  C7  1  0.145  0.442  0.535  1.0
  C  C8  1  0.627  0.449  0.096  1.0
  C  C9  1  0.127  0.551  0.904  1.0
  C  C10  1  0.623  0.421  0.969  1.0
  C  C11  1  0.123  0.579  0.031  1.0
  C  C12  1  0.351  0.019  0.535  1.0
  C  C13  1  0.851  0.981  0.465  1.0
  C  C14  1  0.299  0.055  0.283  1.0
  C  C15  1  0.799  0.945  0.717  1.0
  C  C16  1  0.208  0.076  0.055  1.0
  C  C17  1  0.708  0.924  0.945  1.0
  C  C18  1  0.251  0.063  0.170  1.0
  C  C19  1  0.751  0.937  0.830  1.0
  N  N20  1  0.638  0.515  0.349  1.0
  N  N21  1  0.138  0.485  0.651  1.0
  N  N22  1  0.325  0.038  0.412  1.0
  N  N23  1  0.825  0.962  0.588  1.0
  Cl  Cl24  1  0.568  0.933  0.619  1.0
  Cl  Cl25  1  0.068  0.067  0.381  1.0
  Cl  Cl26  1  0.644  0.944  0.074  1.0
  Cl  Cl27  1  0.144  0.056  0.926  1.0
  Cl  Cl28  1  0.387  0.242  0.871  1.0
  Cl  Cl29  1  0.887  0.758  0.129  1.0
  Cl  Cl30  1  0.632  0.428  0.798  1.0
  Cl  Cl31  1  0.132  0.572  0.202  1.0
  Cl  Cl32  1  0.391  0.538  0.469  1.0
  Cl  Cl33  1  0.891  0.462  0.531  1.0
  Cl  Cl34  1  0.407  0.711  0.911  1.0
  Cl  Cl35  1  0.907  0.289  0.089  1.0
[/CIF]
.