Crystallography Open Database

Information card for entry 1551256

Preview

Coordinates	1551256.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(3-hydroxy-1-methyl-4-pyridinecarboxylato)-monoaqua-copper(II) trihydrate
Formula	C14 H20 Cu N2 O10
Calculated formula	C14 H20 Cu N2 O10
SMILES	[Cu]12(OC(=O)c3c(=[O]1)cn(C)cc3)([O]=c1c(C(=O)O2)ccn(c1)C)[OH2].O.O.O
Title of publication	Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes
Authors of publication	May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	27
Pages of publication	10699
a	6.6329 ± 0.0004 Å
b	9.5423 ± 0.0006 Å
c	13.8849 ± 0.0009 Å
α	85.573 ± 0.002°
β	89.691 ± 0.002°
γ	87.1 ± 0.002°
Cell volume	875.07 ± 0.1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
224716 (current)	2019-11-08	cif/ Updating files of 1551256, 1551257, 1551258, 1551259, 1551260 Original log message: Adding full bibliography for 1551256--1551260.cif.	1551256.cif
215728	2019-06-06	cif/ Adding structures of 1551256, 1551257, 1551258, 1551259, 1551260 via cif-deposit CGI script.	1551256.cif