Information card for entry 2207940

Structure parameters

• Chemical name: Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)dysprosate(III) dihydrate
• Formula: C31 H34 Dy N9 O16
• Calculated formula: C31 H34 Dy N9 O16
• SMILES: c12cccc3C(=O)O[Dy]4567([n]23)([n]2c(cccc2C(=O)O7)C(=O)O4)(OC1=O)[n]1c(cccc1C(=O)O6)C(=O)O5.[nH+]1c(N)cccc1N.[OH2][H][OH2].O.[nH+]1c(N)cccc1N.O
• Title of publication: Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>O</i>',<i>N</i>)dysprosate(III) dihydrate
• Authors of publication: Rafizadeh, M.; Amani, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m90 - m91
• a: 9.654 ± 0.002 Å
• b: 10.579 ± 0.002 Å
• c: 17.972 ± 0.004 Å
• α: 90°
• β: 94.483 ± 0.004°
• γ: 90°
• Cell volume: 1829.9 ± 0.7 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes