Crystallography Open Database

Information card for entry 1512791

Preview

Coordinates	1512791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Cu N7 O
Calculated formula	C7 H7 Cu N7 O
Title of publication	Synthesis, crystal structure, antimicrobial activity and electrochemistry study of chromium(III) and copper(II) complexes based on semicarbazone Schiff base and azide ligands
Authors of publication	B. Shaabani; A.A. Khandar; M. Dusek; M. Pojarova; F. Mahmoudi
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	563 - 568
a	10.52999 ± 0.00014 Å
b	11.13677 ± 0.00015 Å
c	8.09356 ± 0.00012 Å
α	90°
β	99.9107 ± 0.0014°
γ	90°
Cell volume	934.97 ± 0.02 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0303
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1512791.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512791.cif
90876	2013-11-20	cif/ Adding structures of 1512791 via cif-deposit CGI script.	1512791.cif