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DOE OSTI2020

Materials Data on Ru5C14(SO7)2 by Materials Project

RuRu4C5S2O5(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four ruthenium molecules, and two Ru4C5S2O5 clusters. In each Ru4C5S2O5 cluster, there are four inequivalent Ru+3.20+ sites. In the first Ru+3.20+ site, Ru+3.20+ is bonded in a distorted rectangular see-saw-like geometry to two C+1.14+ and two S2- atoms. There is one shorter (1.86 Å) and one longer (1.87 Å) Ru–C bond length. There are one shorter (2.52 Å) and one longer (2.54 Å) Ru–S bond lengths. In the second Ru+3.20+ site, Ru+3.20+ is bonded in a distorted rectangular see-saw-like geometry to two C+1.14+ and two S2- atoms. There is one shorter (1.86 Å) and one longer (1.87 Å) Ru–C bond length. Both Ru–S bond lengths are 2.52 Å. In the third Ru+3.20+ site, Ru+3.20+ is bonded in a 5-coordinate geometry to two S2- atoms. Both Ru–S bond lengths are 2.50 Å. In the fourth Ru+3.20+ site, Ru+3.20+ is bonded in a 5-coordinate geometry to two S2- atoms. Both Ru–S bond lengths are 2.50 Å. There are five inequivalent C+1.14+ sites. In the first C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+3.20+ and one O2- atom. The S–O bond length is 3.49 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+3.20+ and one O2- atom. The S–O bond length is 3.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ru(CO)4 by Materials Project

Ru(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of forty-eight formaldehyde molecules and twelve ruthenium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Ru3(CO)9 by Materials Project

(Ru)3(Bi)2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight bismuth molecules, thirty-six formaldehyde molecules, and twelve ruthenium molecules.

36 MATERIALS SCIENCE↗
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Materials Data on Ru(CO)4 by Materials Project

Ru(CO)4 crystallizes in the orthorhombic Ibam space group. The structure is zero-dimensional and consists of sixteen formaldehyde molecules and four ruthenium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PRu4C15O14F3 by Materials Project

(Ru)4P(CO)14CF3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four fluoroform molecules, fifty-six formaldehyde molecules, four phosphine molecules, and sixteen ruthenium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ru3C10(NO6)2 by Materials Project

Ru(RuON)2(CO)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of forty formaldehyde molecules, four ruthenium molecules, and four RuON clusters. In each RuON cluster, there are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two N3- atoms. Both Ru–N bond lengths are 2.08 Å. In the second Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.07 Å) and one longer (2.09 Å) Ru–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to two Ru2+ and one O2- atom. The N–O bond length is 1.21 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two Ru2+ and one O2- atom. The N–O bond length is 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H4Ru3C9N2O9 by Materials Project

Ru2NH2RuNH2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four azanide;ruthenium(1+) molecules, thirty-six formaldehyde molecules, and four Ru2NH2 clusters. In each Ru2NH2 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 one N3- and one H1+ atom. The Ru–N bond length is 2.13 Å. The Ru–H bond length is 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to one N3- and one H1+ atom. The Ru–N bond length is 2.13 Å. The Ru–H bond length is 1.84 Å. N3- is bonded in a distorted single-bond geometry to two Ru+2.67+ and one H1+ atom. The N–H bond length is 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2Ru6C18SO20 by Materials Project

(Ru)2Ru4H2SO2(CO)18 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four ruthenium molecules, and two Ru4H2SO2 clusters. In each Ru4H2SO2 cluster, there are four inequivalent Ru+2.67+ sites. In the first Ru+2.67+ site, Ru+2.67+ is bonded in a distorted single-bond geometry to one S2- and one O2- atom. The Ru–S bond length is 2.49 Å. The Ru–O bond length is 2.17 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to one S2- and one O2- atom. The Ru–S bond length is 2.51 Å. The Ru–O bond length is 2.15 Å. In the third Ru+2.67+ site, Ru+2.67+ is bonded in a distorted single-bond geometry to one S2- and one O2- atom. The Ru–S bond length is 2.48 Å. The Ru–O bond length is 2.17 Å. In the fourth Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to one S2- and one O2- atom. The Ru–S bond length is 2.52 Å. The Ru–O bond length is 2.15 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a 4-coordinate geometry to four Ru+2.67+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Ru+2.67+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ru+2.67+ and one H1+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on H2Ru6(CO)17 by Materials Project

(Ru)2(Ru2H)2(CO)17 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-four formaldehyde molecules, four ruthenium molecules, and two Ru2H clusters. In each Ru2H cluster, there are four inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.87 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.85 Å. In the third Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two H1+ atoms. Both Ru–H bond lengths are 1.97 Å. In the fourth Ru2+ site, Ru2+ is bonded in a distorted L-shaped geometry to two H1+ atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms. In the second H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2Ru4(CO)13 by Materials Project

RuRu3H2(CO)9(CO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of sixteen formaldehyde molecules, four ruthenium molecules, and four Ru3H2(CO)9 clusters. In two of the Ru3H2(CO)9 clusters, there are three inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded in a 5-coordinate geometry to three C+0.92+ and two H1+ atoms. There is two shorter (1.91 Å) and one longer (1.93 Å) Ru–C bond length. There is one shorter (1.77 Å) and one longer (1.78 Å) Ru–H bond length. In the second Ru3+ site, Ru3+ is bonded in a distorted rectangular see-saw-like geometry to three C+0.92+ and one H1+ atom. There is two shorter (1.90 Å) and one longer (1.91 Å) Ru–C bond length. The Ru–H bond length is 1.80 Å. In the third Ru3+ site, Ru3+ is bonded in a 4-coordinate geometry to three C+0.92+ and one H1+ atom. There is one shorter (1.90 Å) and two longer (1.92 Å) Ru–C bond length. The Ru–H bond length is 1.80 Å. There are nine inequivalent C+0.92+ sites. In the first C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru3+ atoms. In the second H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru3+ atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In two of the Ru3H2(CO)9 clusters, there are three inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded in a 5-coordinate geometry to three C+0.92+ and two H1+ atoms. There are a spread of Ru–C bond distances ranging from 1.90–1.93 Å. There is one shorter (1.75 Å) and one longer (1.77 Å) Ru–H bond length. In the second Ru3+ site, Ru3+ is bonded in a distorted rectangular see-saw-like geometry to three C+0.92+ and one H1+ atom. There are a spread of Ru–C bond distances ranging from 1.89–1.91 Å. The Ru–H bond length is 1.78 Å. In the third Ru3+ site, Ru3+ is bonded in a 4-coordinate geometry to three C+0.92+ and one H1+ atom. There is two shorter (1.91 Å) and one longer (1.93 Å) Ru–C bond length. The Ru–H bond length is 1.77 Å. There are nine inequivalent C+0.92+ sites. In the first C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the ninth C+0.92+ site, C+0.92+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru3+ atoms. In the second H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru3+ atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoHRu3(CO)13 by Materials Project

RuRu2HCo(CO)4(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four ruthenium molecules, four Co(CO)4 clusters, and four Ru2H clusters. In each Co(CO)4 cluster, Co2+ is bonded in a distorted trigonal pyramidal geometry to four C+0.92+ atoms. There are a spread of Co–C bond distances ranging from 1.75–1.89 Å. There are four inequivalent C+0.92+ sites. In the first C+0.92+ site, C+0.92+ is bonded in a distorted bent 150 degrees geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. In the second C+0.92+ site, C+0.92+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.92+ site, C+0.92+ is bonded in a distorted single-bond geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. In the fourth C+0.92+ site, C+0.92+ is bonded in a distorted single-bond geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In each Ru2H cluster, Ru+3.67+ is bonded in a 1-coordinate geometry to one H1+ atom. The Ru–H bond length is 1.80 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent Ru+3.67+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Na4H2RuN6O13 by Materials Project

RuNa4N6H2O13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four ruthenium molecules and one Na4N6H2O13 framework. In the Na4N6H2O13 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to seven O2- atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.43–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.75 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N+2.33+ atom. In the third O2- site, O2- is bonded to three Na1+ and one N+2.33+ atom to form distorted edge-sharing ONa3N trigonal pyramids. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two equivalent H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two Na1+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one N+2.33+ atom.

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↗
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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↗
DOE OSTI2020

Materials Data on Si2OsRu by Materials Project

RuOsSi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four ruthenium molecules and one OsSi2 framework. In the OsSi2 framework, Os2- is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Os–Si bond lengths are 2.56 Å. Si is bonded to four equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing SiOs4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAsRuO by Materials Project

LaRuAsO crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two lanthanum molecules; two ruthenium molecules; and one AsO sheet oriented in the (0, 0, 1) direction. In the AsO sheet, As3- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All As–O bond lengths are 2.15 Å. O2- is bonded in a square co-planar geometry to four equivalent As3- atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Te7RuI6 by Materials Project

Ru(Te)2Te5I6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ruthenium molecules, four tellurium molecules, and one Te5I6 cluster. In the Te5I6 cluster, there are five inequivalent Te+0.57+ sites. In the first Te+0.57+ site, Te+0.57+ is bonded in a distorted bent 120 degrees geometry to two I1- atoms. There are one shorter (3.43 Å) and one longer (3.68 Å) Te–I bond lengths. In the second Te+0.57+ site, Te+0.57+ is bonded in a bent 120 degrees geometry to two I1- atoms. There are one shorter (3.50 Å) and one longer (3.56 Å) Te–I bond lengths. In the third Te+0.57+ site, Te+0.57+ is bonded in a 1-coordinate geometry to one I1- atom. The Te–I bond length is 3.58 Å. In the fourth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.97–3.17 Å. In the fifth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.93–3.32 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two Te+0.57+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Te+0.57+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to three Te+0.57+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to two Te+0.57+ atoms. In the sixth I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on RuN7ClO6 by Materials Project

RuNCl(N2)2(NO3)2 crystallizes in the tetragonal I4 space group. The structure is zero-dimensional and consists of eight ammonia molecules, two azanylidyne(chloro)ruthenium molecules, and four nitric acid molecules.

36 MATERIALS SCIENCE↗