Materials Data on AgH36C15S3N6Cl by Materials Project
(CH3)6AgC9N6H18S3Cl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-four methane molecules and four AgC9N6H18S3Cl clusters. In two of the AgC9N6H18S3Cl clusters, Ag1+ is bonded in a tetrahedral geometry to three S2- and one Cl1- atom. There are a spread of Ag–S bond distances ranging from 2.60–2.64 Å. The Ag–Cl bond length is 2.69 Å. There are nine inequivalent C+0.80- sites. In the first C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.11 Å. In the second C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.45 Å. Both C–H bond lengths are 1.10 Å. In the third C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the fourth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the fifth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.11 Å. In the sixth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.45 Å. Both C–H bond lengths are 1.10 Å. In the seventh C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–S bond length is 1.72 Å. In the eighth C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–S bond length is 1.73 Å. In the ninth C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–S bond length is 1.72 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.02 Å. In the third N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.02 Å. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.02 Å. There are eighteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. In the second S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. In the third S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. Cl1- is bonded in a distorted single-bond geometry to one Ag1+ atom. In two of the AgC9N6H18S3Cl clusters, Ag1+ is bonded in a tetrahedral geometry to three S2- and one Cl1- atom. There are a spread of Ag–S bond distances ranging from 2.58–2.62 Å. The Ag–Cl bond length is 2.68 Å. There are nine inequivalent C+0.80- sites. In the first C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the second C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the third C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.11 Å. In the fourth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the fifth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.47 Å. Both C–H bond lengths are 1.10 Å. In the sixth C+0.80- site, C+0.80- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.46 Å. Both C–H bond lengths are 1.10 Å. In the seventh C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.35 Å. The C–S bond length is 1.72 Å. In the eighth C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–S bond length is 1.72 Å. In the ninth C+0.80- site, C+0.80- is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.35 Å. The C–S bond length is 1.72 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.02 Å. In the third N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.03 Å. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to two C+0.80- and one H1+ atom. The N–H bond length is 1.02 Å. There are eighteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.80- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. In the second S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. In the third S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C+0.80- atom. Cl1- is bonded in a single-bond geometry to one Ag1+ 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:
- 1721207
- Report Number(s):
- mp-1205047
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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