Crystallography Open Database

Information card for entry 1517775

Preview

Coordinates	1517775.cif

Structure parameters

Formula	C13 H11 Cu N O4
Calculated formula	C13 H11 Cu N O4
SMILES	c12C=[N]3[Cu](Oc1ccc1c2cccc1)(OC(=O)C3)[OH2]
Title of publication	Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine
Authors of publication	Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	224 - 229
a	10.2957 ± 0.0011 Å
b	7.0518 ± 0.0014 Å
c	15.9392 ± 0.0019 Å
α	90°
β	96.954 ± 0.003°
γ	90°
Cell volume	1148.7 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	1517775.cif
129076	2014-12-26	Fixing formulae and Z values for several entries	1517775.cif
123885	2014-09-16	cif/ Adding structures of 1517775 via cif-deposit CGI script.	1517775.cif