Information card for entry 2201040

Structure parameters

• Formula: C16 H21 La N2 O13
• Calculated formula: C16 H21 La N2 O13
• SMILES: [La]1234(OC(=O)c5[n]3c(ccc5)C(O)=[O]1)(OC(=O)c1[n]4c(ccc1)C(=O)O2)([OH2])([OH2])[O]=C1O[La]234(OC(=O)c5[n]3c(ccc5)C(O)=[O]2)(OC(=O)c2[n]4c1ccc2)([OH2])[OH2].OCC.O.O.OCC.O.O
• Title of publication: A polynuclear lanthanum(III) complex of dipicolinic acid
• Authors of publication: Okabe, Nobuo; Hasuyo Kyoyama
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m226 - m227
• a: 13.037 ± 0.004 Å
• b: 11.003 ± 0.003 Å
• c: 14.851 ± 0.003 Å
• α: 90°
• β: 100.12 ± 0.02°
• γ: 90°
• Cell volume: 2097.2 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes