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Title: Materials Data on SnH46C18(Br2N)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268340· OSTI ID:1268340

(C8NH20)2SnH6(CBr2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetraethylammonium molecules and two SnH6(CBr2)2 clusters. In each SnH6(CBr2)2 cluster, Sn4+ is bonded in an octahedral geometry to two equivalent C+2.22- and four Br1- atoms. Both Sn–C bond lengths are 2.15 Å. All Sn–Br bond lengths are 2.83 Å. C+2.22- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.09 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1268340
Report Number(s):
mp-570929
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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