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Materials Data on H12Pd(N5O4)2 by Materials Project

PdN2(NH3)4(NO2)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules, four ammonia molecules, four nitrous acid molecules, and one palladium molecule.

36 MATERIALS SCIENCE↗

Materials Data on H6Pd(NO)4 by Materials Project

PdH6(NO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdH6(NO)4 cluster. Pd2+ is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.03 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗

Materials Data on H4Pd(NO4)2 by Materials Project

PdH4(NO4)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four akos015951075 molecules. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Pd–O bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.34 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pd2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Pd2+ and two H1+ atoms.

36 MATERIALS SCIENCE↗