Information card for entry 7229047

Structure parameters

• Formula: C38 H54 Cl4 Co4 N10 O23
• Calculated formula: C38 H54 Cl4 Co4 N10 O23
• SMILES: [Co]1234([O]5[Co]67([OH]2[Co]2([O]1CC[N]3(C)CC5)([OH]6[Co]135([O]7CC[N]5(C)CC[O]21)[n]1c(c2[n]3cccc2)cccc1)([N]#CC)[N]#CC)([N]#CC)[N]#CC)[n]1c(c2[n]4cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters
• Authors of publication: Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 14.226 ± 0.008 Å
• b: 21.341 ± 0.012 Å
• c: 19.337 ± 0.011 Å
• α: 90°
• β: 109.717 ± 0.005°
• γ: 90°
• Cell volume: 5526 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.133
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No