Information card for entry 7216632

Structure parameters

• Formula: C13 H10 N2 O3
• Calculated formula: C13 H10 N2 O3
• SMILES: c1ccc(cn1)C(=O)Nc1ccc(cc1)C(=O)O
• Title of publication: Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions
• Authors of publication: Paul, Mithun; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 7815
• a: 9.4072 ± 0.0003 Å
• b: 12.735 ± 0.0003 Å
• c: 17.8919 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2143.46 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0965
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No