Information card for entry 7228247

Structure parameters

• Formula: C24 H18 Cu2 N8 O10
• Calculated formula: C24 H18 Cu2 N8 O10
• SMILES: C1(=O)c2cccc3C(=O)O[Cu]([n]23)([n]2cn(cc2)c2ccc(nn2)n2c[n](cc2)[Cu]23[n]4c(C(=O)O3)cccc4C(=O)O2)O1.O.O
• Title of publication: A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities
• Authors of publication: Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 6.8758 ± 0.0003 Å
• b: 10.5245 ± 0.0005 Å
• c: 21.6313 ± 0.0009 Å
• α: 80.501 ± 0.001°
• β: 84.03 ± 0.001°
• γ: 72.161 ± 0.001°
• Cell volume: 1467.26 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No