Information card for entry 7218640

Structure parameters

• Formula: C14 H27 B9 Co O2 S2
• Calculated formula: C14 H27 B9 Co O2 S2
• SMILES: [BH]1234[BH]567[BH]89[BH]%10%116[BH]625[BH]251[BH]1([BH]8%10[BH]%11621)[C]145[C]379[S]2CC(=O)O[Co]34562([c]2([c]6([c]5([c]4([c]32C)C)C)C)C)S1
• Title of publication: Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide
• Authors of publication: Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.3728 ± 0.0008 Å
• b: 13.1268 ± 0.001 Å
• c: 16.7553 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2281.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No