Materials Data on Rb2HPd(CN)4 by Materials Project

Abstract

Rb2PdH(CN)4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.04–3.19 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to six N3- and one H1+ atom. There are a spread of Rb–N bond distances ranging from 3.10–3.27 Å. The Rb–H bond length is 3.19 Å. Pd2+ is bonded in a square co-planar geometry to four C+1.75+ atoms. All Pd–C bond lengths are 2.00 Å. There are two inequivalent C+1.75+ sites. In the first C+1.75+ site, C+1.75+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+1.75+ site, C+1.75+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C+1.75+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C+1.75+ atom. H1+ is bonded in a distorted single-bond geometry to one Rb1+ atom.