Crystallography Open Database

Information card for entry 4305254

Preview

Coordinates	4305254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 N4 Ni O6
Calculated formula	C10 H18 N4 Ni O6
SMILES	C1(=O)C[NH](CCC#N)[Ni]2(O1)([NH](CC(=O)O2)CCC#N)([OH2])[OH2]
Title of publication	Novel Michael Addition Products of Bis(amino acidato)metal(II) Complexes: Synthesis, Characterization, Dye Degradation, and Oxidation Properties
Authors of publication	V. Rajalakshmi; V. R. Vijayaraghavan; Babu Varghese; A. Raghavan
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5821 - 5830
a	5.4812 ± 0.0002 Å
b	22.7449 ± 0.0008 Å
c	6.4258 ± 0.0002 Å
α	90°
β	110.672 ± 0.002°
γ	90°
Cell volume	749.52 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0429
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305254.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305254.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305254.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305254.cif