Information card for entry 7218607

Structure parameters

• Formula: C48 H48 Cu2 N8 O22
• Calculated formula: C48 H48 Cu2 N8 O22
• SMILES: C1(=O)O[Cu]2([n]3cccc4ccc5c([n]2ccc5)c34)([OH2])OC(=O)c2c(c3c(C(=O)O[Cu]4([n]5cccc6ccc7c([n]4ccc7)c56)(OC(=O)c4c(c5c1cccn5=O)n(=O)ccc4)[OH2])cccn3=O)n(ccc2)=O.O.O.O.O.O.O.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: 9.213 ± 0.002 Å
• b: 12.19 ± 0.003 Å
• c: 12.635 ± 0.003 Å
• α: 109.362 ± 0.004°
• β: 109.077 ± 0.004°
• γ: 91.212 ± 0.004°
• Cell volume: 1251.8 ± 0.5 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: 0.0538
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No