The material described by ScN2H6Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ScN2H6Cl3 clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form edge-sharing ScNCl5 octahedra. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one Cl(1), one Cl(3), and one Cl(4) atom to form edge-sharing ScN3Cl3 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one H(11), one H(4), and one H(7) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(1), one H(6), and one H(9) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(12), one H(3), and one H(5) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(10), one H(2), and one H(8) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Sc(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_ScH6N2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.986
_cell_length_b   9.969
_cell_length_c   11.280
_cell_angle_alpha   105.481
_cell_angle_beta   90.652
_cell_angle_gamma   109.757
_symmetry_Int_Tables_number   1
_cell_volume   707.976
_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
  Sc  Sc0  1  0.317  0.223  0.304  1.0
  Sc  Sc1  1  0.683  0.777  0.696  1.0
  Sc  Sc2  1  0.162  0.803  0.197  1.0
  Sc  Sc3  1  0.838  0.197  0.803  1.0
  H  H4  1  0.295  0.793  0.955  1.0
  H  H5  1  0.705  0.207  0.045  1.0
  H  H6  1  0.297  0.556  0.133  1.0
  H  H7  1  0.703  0.444  0.867  1.0
  H  H8  1  0.226  0.728  0.419  1.0
  H  H9  1  0.774  0.272  0.581  1.0
  H  H10  1  0.659  0.473  0.297  1.0
  H  H11  1  0.341  0.527  0.703  1.0
  H  H12  1  0.250  0.905  0.460  1.0
  H  H13  1  0.750  0.095  0.540  1.0
  H  H14  1  0.217  0.935  0.001  1.0
  H  H15  1  0.783  0.065  0.999  1.0
  H  H16  1  0.662  0.466  0.441  1.0
  H  H17  1  0.338  0.534  0.559  1.0
  H  H18  1  0.464  0.686  0.246  1.0
  H  H19  1  0.536  0.314  0.754  1.0
  H  H20  1  0.047  0.766  0.945  1.0
  H  H21  1  0.953  0.234  0.055  1.0
  H  H22  1  0.478  0.695  0.103  1.0
  H  H23  1  0.522  0.305  0.897  1.0
  H  H24  1  0.751  0.360  0.337  1.0
  H  H25  1  0.249  0.640  0.663  1.0
  H  H26  1  0.020  0.776  0.426  1.0
  H  H27  1  0.980  0.224  0.574  1.0
  N  N28  1  0.635  0.401  0.350  1.0
  N  N29  1  0.365  0.599  0.650  1.0
  N  N30  1  0.184  0.826  1.000  1.0
  N  N31  1  0.816  0.174  0.000  1.0
  N  N32  1  0.166  0.803  0.401  1.0
  N  N33  1  0.834  0.197  0.599  1.0
  N  N34  1  0.377  0.669  0.165  1.0
  N  N35  1  0.623  0.331  0.835  1.0
  Cl  Cl36  1  0.990  0.991  0.244  1.0
  Cl  Cl37  1  0.010  0.009  0.756  1.0
  Cl  Cl38  1  0.141  0.400  0.343  1.0
  Cl  Cl39  1  0.859  0.600  0.657  1.0
  Cl  Cl40  1  0.494  0.027  0.259  1.0
  Cl  Cl41  1  0.506  0.973  0.741  1.0
  Cl  Cl42  1  0.862  0.585  0.137  1.0
  Cl  Cl43  1  0.138  0.415  0.863  1.0
  Cl  Cl44  1  0.337  0.222  0.522  1.0
  Cl  Cl45  1  0.663  0.778  0.478  1.0
  Cl  Cl46  1  0.344  0.225  0.086  1.0
  Cl  Cl47  1  0.656  0.775  0.914  1.0
[/CIF]
.
The material described by ScN2H6Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ScN2H6Cl3 clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form edge-sharing ScNCl5 octahedra. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one Cl(1), one Cl(3), and one Cl(4) atom to form edge-sharing ScN3Cl3 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one H(11), one H(4), and one H(7) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(1), one H(6), and one H(9) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(12), one H(3), and one H(5) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(10), one H(2), and one H(8) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Sc(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_ScH6N2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.986
_cell_length_b   9.969
_cell_length_c   11.280
_cell_angle_alpha   105.481
_cell_angle_beta   90.652
_cell_angle_gamma   109.757
_symmetry_Int_Tables_number   1
_cell_volume   707.976
_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
  Sc  Sc0  1  0.317  0.223  0.304  1.0
  Sc  Sc1  1  0.683  0.777  0.696  1.0
  Sc  Sc2  1  0.162  0.803  0.197  1.0
  Sc  Sc3  1  0.838  0.197  0.803  1.0
  H  H4  1  0.295  0.793  0.955  1.0
  H  H5  1  0.705  0.207  0.045  1.0
  H  H6  1  0.297  0.556  0.133  1.0
  H  H7  1  0.703  0.444  0.867  1.0
  H  H8  1  0.226  0.728  0.419  1.0
  H  H9  1  0.774  0.272  0.581  1.0
  H  H10  1  0.659  0.473  0.297  1.0
  H  H11  1  0.341  0.527  0.703  1.0
  H  H12  1  0.250  0.905  0.460  1.0
  H  H13  1  0.750  0.095  0.540  1.0
  H  H14  1  0.217  0.935  0.001  1.0
  H  H15  1  0.783  0.065  0.999  1.0
  H  H16  1  0.662  0.466  0.441  1.0
  H  H17  1  0.338  0.534  0.559  1.0
  H  H18  1  0.464  0.686  0.246  1.0
  H  H19  1  0.536  0.314  0.754  1.0
  H  H20  1  0.047  0.766  0.945  1.0
  H  H21  1  0.953  0.234  0.055  1.0
  H  H22  1  0.478  0.695  0.103  1.0
  H  H23  1  0.522  0.305  0.897  1.0
  H  H24  1  0.751  0.360  0.337  1.0
  H  H25  1  0.249  0.640  0.663  1.0
  H  H26  1  0.020  0.776  0.426  1.0
  H  H27  1  0.980  0.224  0.574  1.0
  N  N28  1  0.635  0.401  0.350  1.0
  N  N29  1  0.365  0.599  0.650  1.0
  N  N30  1  0.184  0.826  1.000  1.0
  N  N31  1  0.816  0.174  0.000  1.0
  N  N32  1  0.166  0.803  0.401  1.0
  N  N33  1  0.834  0.197  0.599  1.0
  N  N34  1  0.377  0.669  0.165  1.0
  N  N35  1  0.623  0.331  0.835  1.0
  Cl  Cl36  1  0.990  0.991  0.244  1.0
  Cl  Cl37  1  0.010  0.009  0.756  1.0
  Cl  Cl38  1  0.141  0.400  0.343  1.0
  Cl  Cl39  1  0.859  0.600  0.657  1.0
  Cl  Cl40  1  0.494  0.027  0.259  1.0
  Cl  Cl41  1  0.506  0.973  0.741  1.0
  Cl  Cl42  1  0.862  0.585  0.137  1.0
  Cl  Cl43  1  0.138  0.415  0.863  1.0
  Cl  Cl44  1  0.337  0.222  0.522  1.0
  Cl  Cl45  1  0.663  0.778  0.478  1.0
  Cl  Cl46  1  0.344  0.225  0.086  1.0
  Cl  Cl47  1  0.656  0.775  0.914  1.0
[/CIF]
.