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DOE OSTI · 1740751

Materials Data on Rh6C19NO15 by Materials Project

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Abstract

(Rh)6C5NO(CO)14 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of fifty-six formaldehyde molecules, twenty-four rhodium molecules, and four C5NO clusters. In each C5NO cluster, there are five inequivalent C+0.63+ sites. In the first C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.19 Å. In the second C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.47 Å. In the third C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the fourth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.66 Å. In the fifth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.67 Å. N3- is bonded in a 5-coordinate geometry to four C+0.63+ and one O2- atom. The N–O bond length is 3.08 Å. O2- is bonded in a single-bond geometry to one C+0.63+ and one N3- atom.

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36 MATERIALS SCIENCEC-N-O-Rhcrystal structureRh6C19NO15

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2019-01-11. Materials Data on Rh6C19NO15 by Materials Project. https://doi.org/10.17188/1740751

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36 MATERIALS SCIENCE↗