Information card for entry 7218641

Structure parameters

• Formula: C10 H19 B10 Co O2 S2
• Calculated formula: C10 H19 B10 Co O2 S2
• SMILES: [Co]123456([S](C2C(=O)OC)[C]2789[C]%10%11%12(S1)[BH]1%132[BH]2%14%15[BH]%16%17%18[BH]%198([BH]87%10[BH]7%10%11[BH]%12%13%14[BH]%15%177[BH]%18%198%10)[BH]912%16)[cH]1[cH]4[cH]3[cH]6[cH]51
• 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: 6.5496 ± 0.0008 Å
• b: 12.0999 ± 0.0015 Å
• c: 22.472 ± 0.003 Å
• α: 90°
• β: 94.648 ± 0.002°
• γ: 90°
• Cell volume: 1775 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No