Crystallography Open Database

Information card for entry 1518322

Preview

Coordinates	1518322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N3 O2
Calculated formula	C16 H17 N3 O2
SMILES	O=C(N/N=C(c1c(O)cccc1)\CC)c1ccccc1N
Title of publication	Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study
Authors of publication	Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	425
Pages of publication	36 - 45
a	11.4611 ± 0.0008 Å
b	8.8278 ± 0.0006 Å
c	28.757 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2909.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	1518322.cif
127932	2014-11-27	cif/ Adding structures of 1518322, 1518323, 1518324, 1518325, 1518326 via cif-deposit CGI script.	1518322.cif