Crystallography Open Database

Information card for entry 1513898

Preview

Coordinates	1513898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cu2 F4 N2 O10
Calculated formula	C34 H30 Cu2 F4 N2 O10
SMILES	[Cu]1234([Cu]([O]=C(O3)c3c(F)cccc3)(OC(=[O]2)c2c(F)cccc2)([O]=C(O4)c2c(F)cccc2)(OC(=[O]1)c1c(F)cccc1)[O]=CN(C)C)[O]=CN(C)C
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	10.575 ± 0.003 Å
b	10.434 ± 0.003 Å
c	16.122 ± 0.004 Å
α	90°
β	93.338 ± 0.006°
γ	90°
Cell volume	1775.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1513898.cif
107628	2014-03-20	cif/ Adding structures of 1513898 via cif-deposit CGI script.	1513898.cif