Crystallography Open Database

Information card for entry 1518324

Preview

Coordinates	1518324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Mn N6 O4
Calculated formula	C32 H32 Mn N6 O4
SMILES	[Mn]1234([O]=C(N[N]4=C(c4ccccc4O2)CC)c2c(N)cccc2)[O]=C(N[N]1=C(c1c(O3)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	20.213 ± 0.018 Å
b	11.155 ± 0.006 Å
c	13.117 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2958 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.3836
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.2295
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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.	1518324.cif
127932	2014-11-27	cif/ Adding structures of 1518322, 1518323, 1518324, 1518325, 1518326 via cif-deposit CGI script.	1518324.cif