Crystallography Open Database

Information card for entry 7710500

Preview

Coordinates	7710500.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[hexaaqua(mu-aqua)bis(mu3-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O':kO')bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':k2O',O'')dicobalt(II)dipotassium] nitrate}
Formula	C28 H38 Co2 N6 Na2 O25
Calculated formula	C28 H38 Co2 N6 Na2 O25
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	13.513 ± 0.0007 Å
b	18.433 ± 0.0007 Å
c	15.8418 ± 0.0007 Å
α	90°
β	91.342 ± 0.004°
γ	90°
Cell volume	3944.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7710500.cif