Crystallography Open Database

Information card for entry 7011082

Preview

Coordinates	7011082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 N4 Ni O4
Calculated formula	C17 H26 N4 Ni O4
SMILES	[Ni]123N(c4c(N2C(=O)[C@H]2[NH]1CCC2)cccc4)C(=O)[C@H]1[NH]3CCC1.OC.O
Title of publication	Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide‒diamine ligand
Authors of publication	Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	6
Pages of publication	931 - 940
a	11.76 ± 0.002 Å
b	18.409 ± 0.003 Å
c	8.571 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1855.5 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011082.cif
179814	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/10.	7011082.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011082.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011082.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011082.cif