Information card for entry 7218608

Structure parameters

• Formula: C44 H40 Cu2 N8 O18
• Calculated formula: C44 H40 Cu2 N8 O18
• SMILES: C1(=O)c2cccn(c2c2n(cccc2C(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)(OC(=O)c2cccn(c2c2n(cccc2C(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)(O1)[OH2])=O)=O)[OH2])=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: 9.357 ± 0.004 Å
• b: 11.325 ± 0.005 Å
• c: 12.54 ± 0.005 Å
• α: 64.338 ± 0.006°
• β: 69.757 ± 0.006°
• γ: 75.003 ± 0.006°
• Cell volume: 1114.4 ± 0.8 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: 0.0741
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No