Materials Data on CdH20C2S2(NO2)6 by Materials Project

Dataset · Thu Apr 30 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1284583· OSTI ID:1284583

The Materials Project

Cd(NH)2(CNH2)2(H2)4(NO)2(H3SO4)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nrvfo molecules, four hydrogen molecules, one hydrogen peroxide molecule, two methanimine molecules, two nitroxyl molecules, and one Cd(NH)2 cluster. In the Cd(NH)2 cluster, Cd2+ is bonded in a distorted linear geometry to two equivalent N+0.33- atoms. Both Cd–N bond lengths are 2.09 Å. N+0.33- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one N+0.33- 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: 1284583
• Report Number(s): mp-690848
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CdH20C2S2(NO2)6
C-Cd-H-N-O-S