Information card for entry 2236651

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate
• Formula: C7 H29 Cl4 Er N2 O9
• Calculated formula: C7 H29 Cl4 Er N2 O9
• SMILES: [Er]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[nH+]1ccc(N(C)C)cc1.[Cl-].[Cl-].[Cl-].[Cl-].O
• Title of publication: 4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate
• Authors of publication: Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1388 - m1389
• a: 7.8775 ± 0.0003 Å
• b: 9.3601 ± 0.0004 Å
• c: 15.2593 ± 0.0006 Å
• α: 105.831 ± 0.003°
• β: 101.498 ± 0.003°
• γ: 90.919 ± 0.003°
• Cell volume: 1057.77 ± 0.08 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes