data_HgH2C6(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   13.79
_cell_length_c   16.43
_cell_angle_alpha   90.0
_cell_angle_beta   92.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH2C6(NCl2)2
_chemical_formula_sum   'Hg4 H8 C24 N8 Cl16'
_cell_volume   1525.15
_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  0.04  0.29  0.4  1.0
  Hg  Hg1  1  0.66  0.4  0.61  1.0
  Hg  Hg2  1  0.95  0.51  0.01  1.0
  Hg  Hg3  1  0.33  0.39  0.8  1.0
  H  H4  1  0.26  0.69  0.69  1.0
  H  H5  1  0.63  0.21  0.49  1.0
  H  H6  1  0.74  0.1  0.72  1.0
  H  H7  1  0.36  0.58  0.92  1.0
  H  H8  1  0.12  0.96  0.16  1.0
  H  H9  1  0.49  0.73  0.95  1.0
  H  H10  1  0.88  0.83  0.25  1.0
  H  H11  1  0.5  0.07  0.46  1.0
  C  C12  1  0.81  0.4  0.32  1.0
  C  C13  1  0.43  0.49  0.53  1.0
  C  C14  1  0.18  0.39  0.09  1.0
  C  C15  1  0.56  0.3  0.88  1.0
  C  C16  1  0.84  0.91  0.63  1.0
  C  C17  1  0.47  0.99  0.84  1.0
  C  C18  1  0.15  0.89  0.78  1.0
  C  C19  1  0.52  0.8  0.58  1.0
  C  C20  1  0.58  0.32  0.17  1.0
  C  C21  1  0.21  0.58  0.37  1.0
  C  C22  1  0.41  0.47  0.24  1.0
  C  C23  1  0.79  0.21  0.04  1.0
  C  C24  1  0.31  0.55  0.42  1.0
  C  C25  1  0.69  0.34  0.21  1.0
  C  C26  1  0.68  0.24  0.99  1.0
  C  C27  1  0.3  0.45  0.2  1.0
  C  C28  1  0.06  0.85  0.89  1.0
  C  C29  1  0.43  0.05  0.68  1.0
  C  C30  1  0.93  0.94  0.52  1.0
  C  C31  1  0.56  0.74  0.73  1.0
  C  C32  1  0.39  0.06  0.5  1.0
  C  C33  1  0.76  0.83  0.3  1.0
  C  C34  1  0.6  0.73  0.91  1.0
  C  C35  1  0.23  0.96  0.11  1.0
  N  N36  1  0.36  0.31  0.17  1.0
  N  N37  1  0.99  0.59  0.38  1.0
  N  N38  1  0.63  0.49  0.24  1.0
  N  N39  1  0.0  0.2  0.03  1.0
  N  N40  1  0.42  0.47  0.76  1.0
  N  N41  1  0.8  0.22  0.56  1.0
  N  N42  1  0.57  0.32  0.65  1.0
  N  N43  1  0.19  0.57  0.85  1.0
  Cl  Cl44  1  0.25  0.75  0.4  1.0
  Cl  Cl45  1  0.88  0.94  0.6  1.0
  Cl  Cl46  1  0.74  0.05  0.01  1.0
  Cl  Cl47  1  0.11  0.85  0.81  1.0
  Cl  Cl48  1  0.59  0.98  0.72  1.0
  Cl  Cl49  1  0.22  0.71  0.92  1.0
  Cl  Cl50  1  0.4  0.81  0.69  1.0
  Cl  Cl51  1  0.77  0.08  0.49  1.0
  Cl  Cl52  1  0.57  0.59  0.87  1.0
  Cl  Cl53  1  0.2  0.1  0.07  1.0
  Cl  Cl54  1  0.42  0.2  0.54  1.0
  Cl  Cl55  1  0.79  0.69  0.34  1.0
  Cl  Cl56  1  0.13  0.29  0.46  1.0
  Cl  Cl57  1  0.76  0.39  0.66  1.0
  Cl  Cl58  1  0.86  0.5  0.95  1.0
  Cl  Cl59  1  0.23  0.4  0.75  1.0

data_HgH2C6(NCl2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.74
_cell_length_b   13.79
_cell_length_c   16.43
_cell_angle_alpha   90.0
_cell_angle_beta   92.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgH2C6(NCl2)2
_chemical_formula_sum   'Hg4 H8 C24 N8 Cl16'
_cell_volume   1525.15
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.17  0.01  0.4  1.0
  Hg  Hg1  2  0.46  0.11  0.8  1.0
  H  H2  2  0.01  0.67  0.25  1.0
  H  H3  2  0.13  0.81  0.28  1.0
  H  H4  2  0.24  0.71  0.51  1.0
  H  H5  2  0.38  0.43  0.05  1.0
  C  C6  2  0.03  0.41  0.37  1.0
  C  C7  2  0.06  0.35  0.52  1.0
  C  C8  2  0.06  0.9  0.68  1.0
  C  C9  2  0.08  0.92  0.96  1.0
  C  C10  2  0.11  0.33  0.7  1.0
  C  C11  2  0.18  0.84  0.79  1.0
  C  C12  2  0.19  0.95  0.01  1.0
  C  C13  2  0.26  0.44  0.09  1.0
  C  C14  2  0.29  0.82  0.83  1.0
  C  C15  2  0.31  0.01  0.12  1.0
  C  C16  2  0.35  0.51  0.42  1.0
  C  C17  2  0.43  0.55  0.32  1.0
  N  N18  2  0.07  0.93  0.44  1.0
  N  N19  2  0.13  0.09  0.03  1.0
  N  N20  2  0.3  0.82  0.35  1.0
  N  N21  2  0.49  0.19  0.17  1.0
  Cl  Cl22  2  0.08  0.19  0.66  1.0
  Cl  Cl23  2  0.1  0.58  0.51  1.0
  Cl  Cl24  2  0.24  0.65  0.81  1.0
  Cl  Cl25  2  0.26  1.0  0.46  1.0
  Cl  Cl26  2  0.28  0.69  0.28  1.0
  Cl  Cl27  2  0.3  0.3  0.13  1.0
  Cl  Cl28  2  0.36  0.1  0.75  1.0
  Cl  Cl29  2  0.38  0.55  0.4  1.0

Hg Hg Hg Hg H H H H H H H H C C C C C C C C C C C C C C C C C C C C C C C C N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
HgC3NClHgC4N2HCl3C3NH2Cl3C2HCl is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two C2HCl clusters, two C3NH2Cl3 clusters, one HgC3NCl cluster, and two HgC4N2HCl3 clusters. In each C2HCl cluster, there are two inequivalent C sites. In the first C site, C(4) is bonded in a single-bond geometry to one Cl(3) atom. The C(4)-Cl(3) bond length is 2.12 Å. In the second C site, C(10) is bonded in a single-bond geometry to one Cl(3) atom. The C(10)-Cl(3) bond length is 1.51 Å. H(1) is bonded in a single-bond geometry to one Cl(3) atom. The H(1)-Cl(3) bond length is 1.97 Å. Cl(3) is bonded in a 3-coordinate geometry to one C(10), one C(4), and one H(1) atom. In each C3NH2Cl3 cluster, there are three inequivalent C sites. In the first C site, C(11) is bonded in an L-shaped geometry to one H(4) and one Cl(5) atom. The C(11)-H(4) bond length is 1.09 Å. The C(11)-Cl(5) bond length is 2.06 Å. In the second C site, C(3) is bonded in a single-bond geometry to one Cl(2) atom. The C(3)-Cl(2) bond length is 0.70 Å. In the third C site, C(9) is bonded in a distorted water-like geometry to one Cl(2) and one Cl(4) atom. The C(9)-Cl(2) bond length is 1.40 Å. The C(9)-Cl(4) bond length is 2.28 Å. N(4) is bonded in a single-bond geometry to one H(2) and one Cl(4) atom. The N(4)-H(2) bond length is 1.61 Å. The N(4)-Cl(4) bond length is 2.20 Å. There are two inequivalent H sites. In the first H site, H(2) is bonded in a 3-coordinate geometry to one N(4), one Cl(4), and one Cl(5) atom. The H(2)-Cl(4) bond length is 1.97 Å. The H(2)-Cl(5) bond length is 1.72 Å. In the second H site, H(4) is bonded in a bent 120 degrees geometry to one C(11) and one Cl(4) atom. The H(4)-Cl(4) bond length is 1.88 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 2-coordinate geometry to one C(3) and one C(9) atom. In the second Cl site, Cl(4) is bonded in a 4-coordinate geometry to one C(9), one N(4), one H(2), and one H(4) atom. In the third Cl site, Cl(5) is bonded in a distorted L-shaped geometry to one C(11) and one H(2) atom. In the HgC3NCl cluster, Hg(1) is bonded in a distorted single-bond geometry to one C(1) and one Cl(7) atom. The Hg(1)-C(1) bond length is 2.55 Å. The Hg(1)-Cl(7) bond length is 1.11 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one Hg(1), one C(8), and one N(1) atom. The C(1)-C(8) bond length is 2.09 Å. The C(1)-N(1) bond length is 2.10 Å. In the second C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(8) and one N(1) atom. The C(5)-C(8) bond length is 1.09 Å. The C(5)-N(1) bond length is 1.48 Å. In the third C site, C(8) is bonded in a distorted water-like geometry to one C(1), one C(5), and one N(1) atom. The C(8)-N(1) bond length is 2.08 Å. N(1) is bonded in a 3-coordinate geometry to one C(1), one C(5), and one C(8) atom. Cl(7) is bonded in a single-bond geometry to one Hg(1) atom. In each HgC4N2HCl3 cluster, Hg(2) is bonded in a 2-coordinate geometry to one C(2), one N(3), and one Cl(8) atom. The Hg(2)-C(2) bond length is 2.33 Å. The Hg(2)-N(3) bond length is 1.43 Å. The Hg(2)-Cl(8) bond length is 1.11 Å. There are four inequivalent C sites. In the first C site, C(12) is bonded in an L-shaped geometry to one H(3) and one Cl(6) atom. The C(12)-H(3) bond length is 1.09 Å. The C(12)-Cl(6) bond length is 2.06 Å. In the second C site, C(2) is bonded in a distorted bent 150 degrees geometry to one Hg(2) and one C(7) atom. The C(2)-C(7) bond length is 2.09 Å. In the third C site, C(6) is bonded in a 3-coordinate geometry to one C(7), one N(2), and one Cl(1) atom. The C(6)-C(7) bond length is 1.09 Å. The C(6)-N(2) bond length is 1.48 Å. The C(6)-Cl(1) bond length is 2.36 Å. In the fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one C(6) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a distorted single-bond geometry to one C(6) and one Cl(6) atom. The N(2)-Cl(6) bond length is 2.01 Å. In the second N site, N(3) is bonded in a distorted single-bond geometry to one Hg(2) atom. H(3) is bonded in a single-bond geometry to one C(12) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(6) atom. In the second Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one C(12) and one N(2) atom. In the third Cl site, Cl(8) is bonded in a distorted single-bond geometry to one Hg(2) atom.