Crystallography Open Database

Information card for entry 4305255

Preview

Coordinates	4305255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cu N6 O5
Calculated formula	C16 H22 Cu N6 O5
SMILES	C1(=O)C[N](CCC#N)(CCC#N)[Cu]2([N](CC(=O)O2)(CCC#N)CCC#N)(O1)[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	11.3743 ± 0.0004 Å
b	11.0249 ± 0.0004 Å
c	16.2837 ± 0.0005 Å
α	90°
β	109.124 ± 0.001°
γ	90°
Cell volume	1929.29 ± 0.11 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	0.0729
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4305255.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305255.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305255.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305255.cif