Crystallography Open Database

Information card for entry 1512790

Preview

Coordinates	1512790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cr2 N14 O4
Calculated formula	C16 H20 Cr2 N13.164 O4
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	8.7622 ± 0.0002 Å
b	11.1757 ± 0.0002 Å
c	11.865 ± 0.0002 Å
α	90°
β	105.214 ± 0.002°
γ	90°
Cell volume	1121.14 ± 0.04 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for all reflections	0.0896
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.3138
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1512790.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512790.cif
90875	2013-11-20	cif/ Adding structures of 1512790 via cif-deposit CGI script.	1512790.cif