Crystallography Open Database

Information card for entry 1513176

Preview

Coordinates	1513176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cu N O4
Calculated formula	C22 H19 Cu N O4
Title of publication	Synthesis, crystal structure, spectroscopic, thermal, catechol oxidase and catalase-like studies: New copper(II) complexes of 2-benzoylbenzoate and 2-pyridilpropanol ligands
Authors of publication	Sema Caglar; Ekrem Adiguzel; Bulent Caglar; Tuba Saykal; Ertan Sahin; Orhan Buyukgungor
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	101 - 109
a	10.821 ± 0.005 Å
b	15.026 ± 0.005 Å
c	12.219 ± 0.005 Å
α	90 ± 0.005°
β	99.168 ± 0.005°
γ	90 ± 0.005°
Cell volume	1961.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0786
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 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.	1513176.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513176.cif
91859	2013-12-16	cif/ Adding structures of 1513176 via cif-deposit CGI script.	1513176.cif