Crystallography Open Database

Information card for entry 7226396

Preview

Coordinates	7226396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cu N2 O8 S
Calculated formula	C15 H14 Cu N2 O8 S
SMILES	c12ccccc1[N]1=NC3=C(c4c(C3=O)cccc4)O[Cu]1([OH2])([OH2])OS2(=O)=O.O
Title of publication	Mononuclear Copper(II) Complexes of Arylhydrazone of 1H-Indene-1,3(2H)-dione as Catalysts for the Oxidation of 1-Phenylethanol in Ionic Liquid Medium
Authors of publication	Tiago, Gonçalo A. O.; Ribeiro, Ana; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Branco, Luis C.; Pombeiro, Armando J. L.
Journal of publication	RSC Adv.
Year of publication	2016
a	8.9126 ± 0.0007 Å
b	10.0253 ± 0.0007 Å
c	18.9226 ± 0.0016 Å
α	90°
β	90.499 ± 0.003°
γ	90°
Cell volume	1690.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186078 (current)	2016-08-30	cif/ Adding structures of 7226396, 7226397 via cif-deposit CGI script.	7226396.cif