Crystallography Open Database

Information card for entry 1513896

Preview

Coordinates	1513896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cu F2 N4 O2 S2
Calculated formula	C26 H28 Cu F2 N4 O2 S2
Title of publication	Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands
Authors of publication	Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	405
Pages of publication	387 - 394
a	19.894 ± 0.003 Å
b	19.894 ± 0.003 Å
c	13.562 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5367.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513896.cif
107626	2014-03-20	cif/ Adding structures of 1513896 via cif-deposit CGI script.	1513896.cif