Information card for entry 7210626

Structure parameters

• Formula: C17 H10 Cu N3 O4
• Calculated formula: C17 H10 Cu N3 O4
• Title of publication: Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine
• Authors of publication: Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1460
• a: 7.8497 ± 0.0007 Å
• b: 14.0717 ± 0.0013 Å
• c: 13.8997 ± 0.0011 Å
• α: 90°
• β: 109.381 ± 0.004°
• γ: 90°
• Cell volume: 1448.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No