Information card for entry 7218606

Structure parameters

• Formula: C48 H28 Cu2 N8 O12
• Calculated formula: C48 H28 Cu2 N8 O12
• SMILES: c1ccc2c(n1=O)c1c(cccn1=O)C(=O)O[Cu]1([n]3cccc4ccc5c([n]1ccc5)c34)OC(=O)c1cccn(c1c1c(cccn1=O)C(=O)O[Cu]1([n]3c4c5[n]1cccc5ccc4ccc3)OC2=O)=O
• Title of publication: Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand
• Authors of publication: Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 775
• a: 9.3276 ± 0.001 Å
• b: 11.9664 ± 0.0013 Å
• c: 19.099 ± 0.002 Å
• α: 90°
• β: 92.947 ± 0.002°
• γ: 90°
• Cell volume: 2129 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No