Information card for entry 2203384

Structure parameters

• Chemical name: Dihydronium 2,6-diaminopyridinium tris(2,6-pyridinedicarboxylato)ytterbate(III) dihydrate
• Formula: C31 H34 N9 O16 Yb
• Calculated formula: C31 H34 N9 O16 Yb
• SMILES: c12cccc3C(=O)O[Yb]4567([n]23)([n]2c(cccc2C(=O)O5)C(=O)O4)([n]2c(cccc2C(=O)O7)C(=O)O6)OC1=O.[nH+]1c(N)cccc1N.[OH2][H][OH2].O.[nH+]1c(N)cccc1N.O
• Title of publication: Dihydronium 2,6-diaminopyridinium tris(2,6-pyridinedicarboxylato)ytterbate(III) dihydrate
• Authors of publication: Rafizadeh, Masoud; Ranjbar, M.; Amani, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m479 - m481
• a: 9.6357 ± 0.0005 Å
• b: 10.5295 ± 0.0005 Å
• c: 17.7932 ± 0.0009 Å
• α: 90°
• β: 94.953 ± 0.001°
• γ: 90°
• Cell volume: 1798.54 ± 0.16 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes