Materials Data on H24AuC16S2N3O4 by Materials Project
AuC11N2H12S2O3N(CH3)4CO crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two formaldehyde molecules, two tetramethylammonium molecules, and two AuC11N2H12S2O3 clusters. In each AuC11N2H12S2O3 cluster, Au1- is bonded in a linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) Au–S bond lengths. There are eleven inequivalent C+0.12- sites. In the first C+0.12- site, C+0.12- is bonded in a distorted T-shaped geometry to two C+0.12- and one S2- atom. There is one shorter (1.43 Å) and one longer (1.48 Å) C–C bond length. The C–S bond length is 1.70 Å. In the second C+0.12- site, C+0.12- is bonded in a distorted single-bond geometry to one C+0.12- and one N3- atom. The C–N bond length is 1.33 Å. In the third C+0.12- site, C+0.12- is bonded in a distorted T-shaped geometry to two C+0.12- and one S2- atom. There is one shorter (1.43 Å) and one longer (1.48 Å) C–C bond length. The C–S bond length is 1.70 Å. In the fourth C+0.12- site, C+0.12- is bonded in a distorted single-bond geometry to two C+0.12- and one N3- atom. The C–C bond length is 1.50 Å. The C–N bond length is 1.33 Å. In the fifth C+0.12- site, C+0.12- is bonded in a distorted single-bond geometry to one C+0.12- and one O2- atom. The C–O bond length is 1.24 Å. In the sixth C+0.12- site, C+0.12- is bonded in a distorted single-bond geometry to one C+0.12- and one O2- atom. The C–O bond length is 1.24 Å. In the seventh C+0.12- site, C+0.12- is bonded in a distorted single-bond geometry to one C+0.12- and one O2- atom. The C–O bond length is 1.24 Å. In the eighth C+0.12- site, C+0.12- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the ninth C+0.12- site, C+0.12- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the tenth C+0.12- site, C+0.12- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the eleventh C+0.12- site, C+0.12- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three C+0.12- atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three C+0.12- atoms. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.12- atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Au1- and one C+0.12- atom. In the second S2- site, S2- is bonded in a water-like geometry to one Au1- and one C+0.12- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.12- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.12- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.12- 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:
- 1706046
- Report Number(s):
- mp-1201227
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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