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Results for “C-Cl-H-O-Ru”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H3Ru3C10ClO9 by Materials Project

(RuH)3(CO)9CCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chloromethane molecules, thirty-six formaldehyde molecules, and four RuH clusters. In each RuH cluster, there are two inequivalent Ru+2.67+ sites. In the first Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to two equivalent H1+ atoms. Both Ru–H bond lengths are 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H16Ru3C6(Cl3O7)2 by Materials Project

RuH12O6(RuC3(OCl)3)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ruthenium;hexahydrate molecule, two water molecules, and two RuC3(OCl)3 clusters. In each RuC3(OCl)3 cluster, Ru+3.33+ is bonded in a distorted octahedral geometry to three C+1.33+ and three Cl1- atoms. There are a spread of Ru–C bond distances ranging from 1.88–1.90 Å. There are a spread of Ru–Cl bond distances ranging from 2.44–2.49 Å. There are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2RuC3(ClO2)2 by Materials Project

RuH2OCl2(CO)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules and four ruthenium(ii) chloride hydrate molecules.

36 MATERIALS SCIENCE↗