Information card for entry 7240034

Structure parameters

• Formula: C29 H20 Cu N4 O9
• Calculated formula: C29 H20 Cu N4 O9
• SMILES: [Cu]1([OH2])([OH2])(OC(=O)c2cc(C(=O)O)cc(Oc3ccc(C(=O)[O-])cc3)c2)[n]2cccc3c4nccnc4c4ccc[n]1c4c23
• Title of publication: Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors
• Authors of publication: Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 1209 - 1219
• a: 9.867 ± 0.0005 Å
• b: 13.5792 ± 0.0006 Å
• c: 19.1123 ± 0.0009 Å
• α: 90°
• β: 94.495 ± 0.001°
• γ: 90°
• Cell volume: 2552.9 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No