DOI: 10.17188/1653409
title: Materials Data on InSn2P(H3C)8 by Materials Project

description: InPIn(CH3)2InCH3(SnCH3)2(Sn(CH3)2)3Sn(CH3)3(CH3)10(P)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two indium phosphide molecules; two indium, methyl- molecules; twenty methane molecules; four methylstannane molecules; four phosphine molecules; two In(CH3)2 clusters; six Sn(CH3)2 clusters; and two Sn(CH3)3 clusters. In each In(CH3)2 cluster, In1+ is bonded in a 2-coordinate geometry to two C4- and one H+0.92+ atom. There are one shorter (2.42 Å) and one longer (2.77 Å) In–C bond lengths. The In–H bond length is 2.44 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 3-coordinate geometry to one In1+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.07–1.32 Å. In the second C4- site, C4- is bonded in a 3-coordinate geometry to one In1+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.10–1.13 Å. There are six inequivalent H+0.92+ sites. In the first H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the fourth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one In1+ and one C4- atom. In the sixth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In each Sn(CH3)2 cluster, Sn2+ is bonded in a 2-coordinate geometry to two C4- atoms. There is one shorter (1.70 Å) and one longer (2.11 Å) Sn–C bond length. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 4-coordinate geometry to one Sn2+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 0.90–1.54 Å. In the second C4- site, C4- is bonded in a distorted trigonal pyramidal geometry to one Sn2+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.08–1.54 Å. There are six inequivalent H+0.92+ sites. In the first H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the fourth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the sixth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In each Sn(CH3)3 cluster, Sn2+ is bonded in a 5-coordinate geometry to three C4- and two H+0.92+ atoms. There are a spread of Sn–C bond distances ranging from 2.05–2.14 Å. There are one shorter (2.10 Å) and one longer (2.16 Å) Sn–H bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a 2-coordinate geometry to one Sn2+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.01–1.50 Å. In the second C4- site, C4- is bonded in a 4-coordinate geometry to one Sn2+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.04–1.50 Å. In the third C4- site, C4- is bonded in a 2-coordinate geometry to one Sn2+ and three H+0.92+ atoms. There are a spread of C–H bond distances ranging from 1.05–1.50 Å. There are nine inequivalent H+0.92+ sites. In the first H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one Sn2+ and one C4- atom. In the fourth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the sixth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one Sn2+ and one C4- atom. In the seventh H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the eighth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom. In the ninth H+0.92+ site, H+0.92+ is bonded in a single-bond geometry to one C4- atom.