Materials Data on Ru7C20(SO10)2 by Materials Project
(Ru)2Ru5CS2O(CO)19 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of seventy-six formaldehyde molecules, eight ruthenium molecules, and four Ru5CS2O clusters. In each Ru5CS2O cluster, there are five inequivalent Ru+2.86+ sites. In the first Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.44 Å. In the second Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. In the third Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.45 Å. In the fourth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.42 Å) and one longer (2.45 Å) Ru–S bond lengths. In the fifth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. C+1.20+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+2.86+ and one O2- atom. The S–O bond length is 3.44 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Ru+2.86+ atoms. O2- is bonded in a single-bond geometry to one C+1.20+ and one S2- 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:
- 1281015
- Report Number(s):
- mp-650996
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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