Crystallography Open Database

Information card for entry 7711389

Preview

Coordinates	7711389.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[bis(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)dysprosium(III)] octahydrate}
Formula	C28 H46 Dy N4 Na O23
Calculated formula	C28 H46 Dy N4 Na O23
Title of publication	An Experimental and Theoretical Study of the Magnetic Relaxation in Heterometallic Coordination Polymers Based on 6-methyl-2-oxonicotinate and Lanthanide(III) Ions with Square Antriprismatic Environment
Authors of publication	Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Zabala-Lekuona, Andoni; Rodríguez Diéguez, Antonio; Cepeda, Javier
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.7386 ± 0.0008 Å
b	22.8598 ± 0.001 Å
c	18.0928 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7750.2 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
278340 (current)	2022-10-05	cif/ Adding structures of 7711389 via cif-deposit CGI script.	7711389.cif