Information card for entry 7200552

Structure parameters

• Formula: C17 H19 Cl3 In N3 O7
• Calculated formula: C17 H19 Cl3 In N3 O7
• SMILES: [In]1(Cl)(Cl)(Cl)(OC(=O)c2[n]1cc(cc2)C(=O)O)[OH2].O.O.[nH+]1ccc(cc1)c1ccncc1
• Title of publication: Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks
• Authors of publication: Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 918
• a: 15.732 ± 0.004 Å
• b: 10.328 ± 0.003 Å
• c: 15.061 ± 0.004 Å
• α: 90°
• β: 116.494 ± 0.004°
• γ: 90°
• Cell volume: 2190.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No