Information card for entry 2218648

Structure parameters

• Chemical name: Poly[tris(μ~4~-5-aminoisophthalato)diaquadilanthanum(III)]
• Formula: C24 H19 La2 N3 O14
• Calculated formula: C24 H19 La2 N3 O14
• SMILES: C(=O)([O-])c1cc(cc(c1)C(=O)[O-])N.C(=O)(c1cc(N)cc(c1)C(=O)[O-])[O-].[La+3].[La+3].O.c1c(cc(cc1C(=O)[O-])C(=O)[O-])N.O
• Title of publication: Poly[tris(μ~4~-5-aminoisophthalato)diaquadilanthanum(III)]
• Authors of publication: Weng-Thim, Tham; Adnan, Rohana; Fun, Hoong-Kun; Jebas, Samuel Robinson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m971 - m972
• a: 12.2525 ± 0.0003 Å
• b: 8.0521 ± 0.0002 Å
• c: 25.682 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2533.74 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes