Information card for entry 7708077

Structure parameters

• Chemical name: Poly{[hexa(mu3-3-amino-4-hydroxybenzoate-k2O,O':kO'':k2N,O''')tri(mu3-hydroxide-kO:kO':kO'')tri(dimethylformamide-kO)pentayttrium(III)]pentahydrate}
• Formula: C51 H56 N9 O25 Y5
• Calculated formula: C51 H54 N9 O24 Y5
• Title of publication: A novel yttrium-based metal‒organic framework for the efficient solvent-free catalytic synthesis of cyanohydrin silyl ethers
• Authors of publication: Echenique-Errandonea, Estitxu; Pérez, Juana M.; Rojas, Sara; Cepeda, Javier; Seco, José M.; Fernández, Ignacio; Rodríguez-Diéguez, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11720 - 11724
• a: 14.73 ± 0.003 Å
• b: 14.73 Å
• c: 17.616 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3310.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No