Silver behenate

Silver behenate
Names
	IUPAC name Silver(I) docosanoate
	Other names Silver docosanoate; Behenic acid silver salt
Identifiers
CAS Number	2489-05-6 ;
3D model (JSmol)	Interactive image;
ChemSpider	144632;
ECHA InfoCard	100.017.857
PubChem CID	164971;
UNII	N3HP26F3PB ;
CompTox Dashboard (EPA)	DTXSID6062460 ;
	InChI InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1 Key: AQRYNYUOKMNDDV-UHFFFAOYSA-M;
	SMILES [Ag+].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC;
Properties
Chemical formula	AgC22H43O2
Molar mass	447.2287 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Silver behenate is a silver salt of the long-chain fatty acid behenic acid. It is a possible low-angle diffraction standard that was characterized using the powder diffraction technique. Diffraction patterns obtained with 1.54 Å synchrotron and Cu Ka radiations showed thirteen reflections in the range 1.5-20.0 ° 2-theta.

Description

With the National Institute of Standards and Technology's standard reference material silicon as an internal standard, the long spacing of silver behenate was accurately determined from the profile-fitted synchrotron diffraction peaks, with d₀₀₁ = 58.380 (3) Å (5.8380(3) nm). This result was in agreement with that obtained from the Cu Ka pattern. The profile widths of the silver behenate peaks were found to be consistently larger than those of the silicon peaks, indicating significant line broadening for silver behenate. The average crystallite size along the long-spacing direction of silver behenate was estimated using the Scherrer equation, giving D(avg) = 900 (50) Å (85–95 nm).

Because silver behenate has a large number of well defined diffraction peaks in the 1.5-20.0° 2-theta range, it is suitable for use as an angle-calibration standard for low-angle diffraction. However, care must be taken if silver behenate is to be used as a peak-profile calibration standard because of line broadening.

References

T.N. Blanton, T.C. Huang, H. Toraya, C.R. Hubbard, S.B. Robie, D. Louer, H.E. Gobel, G. Will, R. Gilles and T. Raftery (1995). "JCPDS - International Centre for Diffraction Data round robin study of silver behenate. A possible low-angle X-ray diffraction calibration standard". Powder Diffraction. 10: 91–95. doi:10.1017/S0885715600014421.{{cite journal}}: CS1 maint: multiple names: authors list (link)
T.N. Blanton, C.L. Barnes; M. Lelental (2000). "Preparation of silver behenate coatings to provide low- to mid-angle diffraction calibration". J. Appl Cryst. 33: 172–173. doi:10.1107/S0021889899012388. {{cite journal}}: Unknown parameter |lastauthoramp= ignored (|name-list-style= suggested) (help)
F.W. Matthews; G.G. Warren; J.H. Michell (1950). "Derivatives of Fatty Acids - Identification By X-Ray Diffraction Power Patterns". Analytical Chemistry. 22: 514–519. doi:10.1021/ac60040a002.