Information card for entry 7710499

Structure parameters

• Chemical name: catena[bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':kO'')copper(II)] hexahydrate}
• Formula: C14 H24 Cu N2 O12
• Calculated formula: C14 H24 Cu N2 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: 5.1194 ± 0.0004 Å
• b: 21.9576 ± 0.0016 Å
• c: 8.6216 ± 0.0006 Å
• α: 90°
• β: 98.595 ± 0.003°
• γ: 90°
• Cell volume: 958.27 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No