Information card for entry 2235499

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato- κ^4^<i>O</i>:<i>O</i>'] chloride]
• Formula: C12 H16 Cl La N2 O8
• Calculated formula: C12 H16 Cl La N2 O8
• SMILES: [La]1([OH2])([OH2])([OH2])([OH2])[O]=C(c2ccncc2)O[La]([O]=C(O1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])(OC(=O)c1ccncc1)OC(=O)c1ccncc1.[Cl-].[Cl-]
• Title of publication: <i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride]
• Authors of publication: Zhao, Jin-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m972
• a: 8.987 ± 0.003 Å
• b: 19.769 ± 0.003 Å
• c: 10.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes