Information card for entry 7214249

Structure parameters

• Formula: C15 H10 N2 O4
• Calculated formula: C15 H10 N2 O4
• SMILES: C1(=O)c2c(C(=O)N1Cc1ccccn1)cc(cc2)C(=O)O
• Title of publication: Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes
• Authors of publication: Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 3128
• a: 13.5187 ± 0.0007 Å
• b: 7.2436 ± 0.0004 Å
• c: 26.014 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2547.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No