Information card for entry 7249597

Structure parameters

• Chemical name: Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)neodymium(III)] octahydrate}
• Formula: C28 H46 N4 Na Nd O23
• Calculated formula: C28 H46 N4 Na Nd O23
• Title of publication: A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning
• Authors of publication: Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 18.2627 ± 0.0007 Å
• b: 18.6667 ± 0.0009 Å
• c: 22.938 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7819.7 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0318
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No