Information card for entry 2019441

Structure parameters

• Chemical name: Di-μ~2~-azido-diazidodiethanolbis{μ~2~-2-[(hydroxyimino)methyl]-6-methoxyphenolato}bis{μ~3~-2-[(oxidoimino)methyl]-6-methoxyphenolato}dicobalt(II)dicobalt(III) ethanol disolvate
• Formula: C40 H54 Co4 N16 O16
• Calculated formula: C40 H54 Co4 N16 O16
• SMILES: c12c(O[Co]345([N](=C1)[O]1[Co]67([O]5c5c(cccc5[O]6C)C=[N]4O)([OH]CC)[N](=N#N)[Co]456([N](=Cc9c(c(ccc9)OC)O5)[O]7[Co]51([N]3=N#N)([O]6c1c(cccc1[O]5C)C=[N]4O)[OH]CC)N=N#N)N=N#N)c(OC)ccc2.OCC.OCC
• Title of publication: A mixed-valence complex of cobalt based on 3-methoxysalicylaldoxime
• Authors of publication: Yao, Tiantian; Lu, Jing; Li, Dacheng; Dou, Jianmin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 364 - 367
• a: 9.605 ± 0.007 Å
• b: 10.749 ± 0.007 Å
• c: 13.01 ± 0.009 Å
• α: 91.524 ± 0.011°
• β: 107.539 ± 0.01°
• γ: 93.855 ± 0.01°
• Cell volume: 1276.3 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1503
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes