Information card for entry 2208534

Structure parameters

• Chemical name: dimethylammonium diaquabis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)indium(III)
• Formula: C16 H18 In N3 O10
• Calculated formula: C16 H18 In N3 O10
• SMILES: C1(=O)c2cccc3C(O[In]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)(O1)([OH2])[OH2])=O.C[NH2+]C
• Title of publication: An indium(III) complex with pyridine-2,6-dicarboxylate
• Authors of publication: Rong-Chang Zhang; Chun-Hui Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m807 - m809
• a: 9.7681 ± 0.0014 Å
• b: 9.7681 ± 0.0014 Å
• c: 19.632 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1873.2 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No