Information card for entry 7710497

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 ų
• 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 Fobs: No