Information card for entry 2215723

Structure parameters

• Chemical name: Triaquatris(nitrato-κ^2^O,O')lanthanum(III) 4,4'-bipyridine disolvate
• Formula: C20 H22 La N7 O12
• Calculated formula: C20 H22 La N7 O12
• SMILES: c1nccc(c1)c1ccncc1.N1(=[O][La]23([OH2])([OH2])([OH2])(O1)(ON(=O)=[O]2)ON(=[O]3)=O)=O.n1ccc(c2ccncc2)cc1
• Title of publication: Triaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III) 4,4'-bipyridine disolvate
• Authors of publication: Nai-Gen Li; Rui-Min Tao; Bang-Feng Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2715 - m2716
• a: 7.97 ± 0.002 Å
• b: 20.781 ± 0.002 Å
• c: 16.401 ± 0.003 Å
• α: 90°
• β: 102.298 ± 0.007°
• γ: 90°
• Cell volume: 2654.1 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes