Crystallography Open Database

Information card for entry 4118354

Preview

Coordinates	4118354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 K N4 O19 S
Calculated formula	C28 H33 K N4 O19 S
Title of publication	Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals
Authors of publication	Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12245 - 12251
a	8.3294 ± 0.0004 Å
b	14.3335 ± 0.0007 Å
c	15.5664 ± 0.0008 Å
α	102.861 ± 0.001°
β	98.72 ± 0.001°
γ	101.181 ± 0.001°
Cell volume	1740.2 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178954 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/83.	4118354.cif
75879	2013-03-13	cif/ Adding structures of 4118354 via cif-deposit CGI script.	4118354.cif