Materials Data on B3H60C16(NO)12 by Materials Project
(BH12(CO)4)3(CN3H6)4 crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of four guanidinium molecules and three BH12(CO)4 clusters. In each BH12(CO)4 cluster, B is bonded to four equivalent O atoms to form BO4 tetrahedra that share corners with four equivalent CH3O tetrahedra. All B–O bond lengths are 1.49 Å. C is bonded to three H and one O atom to form CH3O tetrahedra that share a cornercorner with one BO4 tetrahedra. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.43 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom. O is bonded in a bent 120 degrees geometry to one B and one C 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:
- 1283393
- Report Number(s):
- mp-677715
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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