Crystallography Open Database

Information card for entry 7710497

Preview

Coordinates	7710497.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[bis(mu3-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O':kO')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O')manganese(II)sodium(methanol)] hydrate methanol}
Formula	C23 H28 Mn N3 Na O12
Calculated formula	C23 H28 Mn N3 Na O12
Title of publication	Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions
Authors of publication	Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier
Journal of publication	Dalton Transactions
Year of publication	2022
a	14.4049 ± 0.0009 Å
b	12.2948 ± 0.0007 Å
c	15.1192 ± 0.001 Å
α	90°
β	94.946 ± 0.002°
γ	90°
Cell volume	2667.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0986
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
276060 (current)	2022-06-16	cif/ Adding structures of 7710497, 7710498, 7710499, 7710500 via cif-deposit CGI script.	7710497.cif