The material structure described by PdN4H12(I)8 is Indium-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two I clusters and two PdN4H12 clusters. In each I cluster, there are eight inequivalent I sites. In the first I site, I(4) is bonded in a single-bond geometry to one I(5) atom. In the second I site, I(5) is bonded in a distorted linear geometry to one I(4) and one I(6) atom. In the third I site, I(6) is bonded in an L-shaped geometry to one I(5) and one I(7) atom. In the fourth I site, I(7) is bonded in a distorted linear geometry to one I(6) and one I(8) atom. In the fifth I site, I(8) is bonded in a distorted linear geometry to one I(1) and one I(7) atom. In the sixth I site, I(1) is bonded in a 2-coordinate geometry to one I(2) and one I(8) atom. In the seventh I site, I(2) is bonded in a linear geometry to one I(1) and one I(3) atom. In the eighth I site, I(3) is bonded in a single-bond geometry to one I(2) atom. In each PdN4H12 cluster, Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(1), one H(2), and one H(3) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(4), one H(5), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H12Pd(I2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   9.635
_cell_length_c   13.221
_cell_angle_alpha   79.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1087.631
_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
  H  H0  1  0.505  0.738  0.170  1.0
  H  H1  1  0.005  0.262  0.830  1.0
  H  H2  1  0.495  0.262  0.830  1.0
  H  H3  1  0.995  0.738  0.170  1.0
  H  H4  1  0.528  0.671  0.295  1.0
  H  H5  1  0.028  0.329  0.705  1.0
  H  H6  1  0.472  0.329  0.705  1.0
  H  H7  1  0.972  0.671  0.295  1.0
  H  H8  1  0.625  0.605  0.207  1.0
  H  H9  1  0.125  0.395  0.793  1.0
  H  H10  1  0.375  0.395  0.793  1.0
  H  H11  1  0.875  0.605  0.207  1.0
  H  H12  1  0.605  0.072  0.281  1.0
  H  H13  1  0.105  0.928  0.719  1.0
  H  H14  1  0.395  0.928  0.719  1.0
  H  H15  1  0.895  0.072  0.281  1.0
  H  H16  1  0.525  0.030  0.177  1.0
  H  H17  1  0.025  0.970  0.823  1.0
  H  H18  1  0.475  0.970  0.823  1.0
  H  H19  1  0.975  0.030  0.177  1.0
  H  H20  1  0.485  0.937  0.293  1.0
  H  H21  1  0.985  0.063  0.707  1.0
  H  H22  1  0.515  0.063  0.707  1.0
  H  H23  1  0.015  0.937  0.293  1.0
  Pd  Pd24  1  0.750  0.846  0.236  1.0
  Pd  Pd25  1  0.250  0.154  0.764  1.0
  I  I26  1  0.750  0.211  0.593  1.0
  I  I27  1  0.250  0.789  0.407  1.0
  I  I28  1  0.750  0.895  0.554  1.0
  I  I29  1  0.250  0.105  0.446  1.0
  I  I30  1  0.750  0.609  0.529  1.0
  I  I31  1  0.250  0.391  0.471  1.0
  I  I32  1  0.750  0.082  0.955  1.0
  I  I33  1  0.250  0.918  0.045  1.0
  I  I34  1  0.750  0.792  0.910  1.0
  I  I35  1  0.250  0.208  0.090  1.0
  I  I36  1  0.750  0.501  0.869  1.0
  I  I37  1  0.250  0.499  0.131  1.0
  I  I38  1  0.750  0.389  0.117  1.0
  I  I39  1  0.250  0.611  0.883  1.0
  I  I40  1  0.750  0.308  0.337  1.0
  I  I41  1  0.250  0.692  0.663  1.0
  N  N42  1  0.584  0.697  0.226  1.0
  N  N43  1  0.084  0.303  0.774  1.0
  N  N44  1  0.416  0.303  0.774  1.0
  N  N45  1  0.916  0.697  0.226  1.0
  N  N46  1  0.572  0.988  0.248  1.0
  N  N47  1  0.072  0.012  0.752  1.0
  N  N48  1  0.428  0.012  0.752  1.0
  N  N49  1  0.928  0.988  0.248  1.0
[/CIF]
.
The material structure described by PdN4H12(I)8 is Indium-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two I clusters and two PdN4H12 clusters. In each I cluster, there are eight inequivalent I sites. In the first I site, I(4) is bonded in a single-bond geometry to one I(5) atom. In the second I site, I(5) is bonded in a distorted linear geometry to one I(4) and one I(6) atom. In the third I site, I(6) is bonded in an L-shaped geometry to one I(5) and one I(7) atom. In the fourth I site, I(7) is bonded in a distorted linear geometry to one I(6) and one I(8) atom. In the fifth I site, I(8) is bonded in a distorted linear geometry to one I(1) and one I(7) atom. In the sixth I site, I(1) is bonded in a 2-coordinate geometry to one I(2) and one I(8) atom. In the seventh I site, I(2) is bonded in a linear geometry to one I(1) and one I(3) atom. In the eighth I site, I(3) is bonded in a single-bond geometry to one I(2) atom. In each PdN4H12 cluster, Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(1), one H(2), and one H(3) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one H(4), one H(5), and one H(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H12Pd(I2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   9.635
_cell_length_c   13.221
_cell_angle_alpha   79.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1087.631
_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
  H  H0  1  0.505  0.738  0.170  1.0
  H  H1  1  0.005  0.262  0.830  1.0
  H  H2  1  0.495  0.262  0.830  1.0
  H  H3  1  0.995  0.738  0.170  1.0
  H  H4  1  0.528  0.671  0.295  1.0
  H  H5  1  0.028  0.329  0.705  1.0
  H  H6  1  0.472  0.329  0.705  1.0
  H  H7  1  0.972  0.671  0.295  1.0
  H  H8  1  0.625  0.605  0.207  1.0
  H  H9  1  0.125  0.395  0.793  1.0
  H  H10  1  0.375  0.395  0.793  1.0
  H  H11  1  0.875  0.605  0.207  1.0
  H  H12  1  0.605  0.072  0.281  1.0
  H  H13  1  0.105  0.928  0.719  1.0
  H  H14  1  0.395  0.928  0.719  1.0
  H  H15  1  0.895  0.072  0.281  1.0
  H  H16  1  0.525  0.030  0.177  1.0
  H  H17  1  0.025  0.970  0.823  1.0
  H  H18  1  0.475  0.970  0.823  1.0
  H  H19  1  0.975  0.030  0.177  1.0
  H  H20  1  0.485  0.937  0.293  1.0
  H  H21  1  0.985  0.063  0.707  1.0
  H  H22  1  0.515  0.063  0.707  1.0
  H  H23  1  0.015  0.937  0.293  1.0
  Pd  Pd24  1  0.750  0.846  0.236  1.0
  Pd  Pd25  1  0.250  0.154  0.764  1.0
  I  I26  1  0.750  0.211  0.593  1.0
  I  I27  1  0.250  0.789  0.407  1.0
  I  I28  1  0.750  0.895  0.554  1.0
  I  I29  1  0.250  0.105  0.446  1.0
  I  I30  1  0.750  0.609  0.529  1.0
  I  I31  1  0.250  0.391  0.471  1.0
  I  I32  1  0.750  0.082  0.955  1.0
  I  I33  1  0.250  0.918  0.045  1.0
  I  I34  1  0.750  0.792  0.910  1.0
  I  I35  1  0.250  0.208  0.090  1.0
  I  I36  1  0.750  0.501  0.869  1.0
  I  I37  1  0.250  0.499  0.131  1.0
  I  I38  1  0.750  0.389  0.117  1.0
  I  I39  1  0.250  0.611  0.883  1.0
  I  I40  1  0.750  0.308  0.337  1.0
  I  I41  1  0.250  0.692  0.663  1.0
  N  N42  1  0.584  0.697  0.226  1.0
  N  N43  1  0.084  0.303  0.774  1.0
  N  N44  1  0.416  0.303  0.774  1.0
  N  N45  1  0.916  0.697  0.226  1.0
  N  N46  1  0.572  0.988  0.248  1.0
  N  N47  1  0.072  0.012  0.752  1.0
  N  N48  1  0.428  0.012  0.752  1.0
  N  N49  1  0.928  0.988  0.248  1.0
[/CIF]
.