Information card for entry 2236646

Structure parameters

• Chemical name: Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate
• Formula: C14 H44 Cl5 La N4 O11
• Calculated formula: C14 H44 Cl5 La N4 O11
• SMILES: [La](Cl)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].N(c1cc[nH+]cc1)(C)C.N(c1cc[nH+]cc1)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].O.O.O
• Title of publication: Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate
• 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: m1321 - m1322
• a: 9.6741 ± 0.0004 Å
• b: 12.6695 ± 0.0007 Å
• c: 14.3601 ± 0.0007 Å
• α: 68.354 ± 0.005°
• β: 75.273 ± 0.004°
• γ: 84.264 ± 0.004°
• Cell volume: 1582.16 ± 0.15 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: 0.028
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes