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Materials Data on CS3NO2F3 by Materials Project

N2(CF3)2(S)4(SO2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, sixteen fluoroform molecules, thirty-two hydrogen sulfide molecules, and sixteen sulfur dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on CS4N2(OF)3 by Materials Project

N2S3CF3SO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules, four sulfur trioxide molecules, and four N2S3 clusters. In each N2S3 cluster, there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. There are three inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one N3+ atom. In the second S site, S is bonded in a distorted single-bond geometry to one N3+ atom. In the third S site, S is bonded in a water-like geometry to two N3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CS5N5O3F by Materials Project

(NS)4CNSO3F crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two schembl16140121 molecules.

36 MATERIALS SCIENCE↗

Materials Data on CSNO2F3 by Materials Project

CF3SO2N crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formyl fluoride molecules and twelve NS(O)F2 clusters. In four of the NS(O)F2 clusters, N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.50 Å. S2- is bonded in a tetrahedral geometry to one N5+, one O2-, and two F1- atoms. The S–O bond length is 1.41 Å. Both S–F bond lengths are 1.57 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are two 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 eight of the NS(O)F2 clusters, N5+ is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.50 Å. S2- is bonded in a tetrahedral geometry to one N5+, one O2-, and two F1- atoms. The S–O bond length is 1.41 Å. There is one shorter (1.57 Å) and one longer (1.58 Å) S–F bond length. O2- is bonded in a single-bond geometry to one S2- atom. There are two 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.

36 MATERIALS SCIENCE↗

Materials Data on CSNOF5 by Materials Project

CNSOF5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four pentafluorosulfanyl isocyanate molecules. C4+ is bonded in a linear geometry to one N5+ and one O2- atom. The C–N bond length is 1.23 Å. The C–O bond length is 1.17 Å. N5+ is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.69 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 1.60–1.63 Å. O2- 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↗

Materials Data on C2SNOF by Materials Project

C2NSOF crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight fluoroformyl isothiocyanate molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.54 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3-, one O2-, and one F1- atom. The C–N bond length is 1.37 Å. The C–O bond length is 1.20 Å. The C–F bond length is 1.37 Å. N3- is bonded in a distorted bent 120 degrees geometry to two C4+ atoms. S2- is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on C2S2N(O2F3)2 by Materials Project

N2(CF3)4(SO2)4 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four ammonia molecules, eight fluoroform molecules, and eight sulfur dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on C2SNOF by Materials Project

C2NSOF crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four fluorocarbonyl thiocyanate molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to one S2-, one O2-, and one F1- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.19 Å. The C–F bond length is 1.36 Å. N3- is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted trigonal bipyramidal geometry to two C4+ atoms. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗