Information card for entry 2219496

Structure parameters

• Chemical name: Poly[tris(μ~3~-5-aminoisophthalato)diaquadicerium(III)]
• Formula: C24 H19 Ce2 N3 O14
• Calculated formula: C24 H19 Ce2 N3 O14
• SMILES: c1(cc(cc(c1)N)C(=O)[O-])C(=O)[O-].c1(cc(N)cc(c1)C(=O)[O-])C(=O)[O-].[Ce+3].[Ce+3].O.c1(cc(cc(c1)N)C(=O)[O-])C(=O)[O-].O
• Title of publication: Poly[tris(μ~3~-5-aminoisophthalato)diaquadicerium(III)]
• Authors of publication: Ma, Hui-Jie; Fan, Yu-Hua; Wang, Qiang; Bi, Cai-Feng; Zhang, Dong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1326
• a: 12.236 ± 0.0007 Å
• b: 8.06 ± 0.0005 Å
• c: 25.67 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2531.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0226
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes