Crystallography Open Database

Information card for entry 1512767

Preview

Coordinates	1512767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 N2 Ni O14
Calculated formula	C18 H32 N2 Ni0.998 O14
Title of publication	Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid
Authors of publication	Nithi Phukan; Jubaraj B. Baruah
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	430 - 435
a	6.7822 ± 0.0003 Å
b	18.1737 ± 0.0009 Å
c	10.6188 ± 0.0005 Å
α	90°
β	97.332 ± 0.002°
γ	90°
Cell volume	1298.15 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0385
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	1512767.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512767.cif
90852	2013-11-20	cif/ Adding structures of 1512767 via cif-deposit CGI script.	1512767.cif