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Results for “C-Cl-F-N-S”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on C2SNCl2F5 by Materials Project

CF3CF2NSCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight difluoromethane molecules, eight fluoroform molecules, and eight NSCl2 clusters. In each NSCl2 cluster, N1+ is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.51 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to one N1+ and two Cl1- atoms. Both S–Cl bond lengths are 2.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CSNCl2F5 by Materials Project

CNSCl2F5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two n-(pentafluorosulfanyl)-(dichloro)methanimide molecules. C4+ is bonded in a trigonal planar geometry to one N5+ and two Cl1- atoms. The C–N bond length is 1.27 Å. There is one shorter (1.71 Å) and one longer (1.72 Å) C–Cl bond length. N5+ is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.71 Å. S2- is bonded in an octahedral geometry to one N5+ and five F1- atoms. There are a spread of S–F bond distances ranging from 1.61–1.63 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗