Information card for entry 2233296

Structure parameters

• Chemical name: bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2- carboxylato)indium(III)] tetrahydrate
• Formula: C28 H26 In2 N4 O22
• Calculated formula: C28 H26 In2 N4 O22
• SMILES: c12c(ccc[n]2[In]23(OC1=O)(OC(=O)c1c(ccc[n]21)C(=O)O[In]12([n]4c(c(ccc4)C(=O)O)C(=O)O1)([n]1c(c(ccc1)C(=O)O3)C(=O)O2)[OH2])[OH2])C(=O)O.O.O.O.O
• Title of publication: Bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2-carboxylato)indium(III)] tetrahydrate
• Authors of publication: Eshtiagh-Hosseini, H.; Mirzaei, M.; Mousavinezhad, A.; Necas, M.; Mague, J. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m71 - m72
• a: 8.0166 ± 0.0003 Å
• b: 10.089 ± 0.0004 Å
• c: 11.9838 ± 0.0005 Å
• α: 110.069 ± 0.004°
• β: 96.236 ± 0.003°
• γ: 109.076 ± 0.003°
• Cell volume: 833.36 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes