Information card for entry 7218638

Structure parameters

• Formula: C18 H34 B9 Co N0 O4 S2
• Calculated formula: C18 H34 B9 Co O4 S2
• SMILES: [Co]123456([S]([C]789[C]%10%11([S]1C2C(=O)OC)[BH]12%12[BH]%13%14%11[BH]%117%10[BH]7%108[BH]8%15%16[BH]%13%117[BH]2%14%16[BH]18([BH]9%10%15)[H]%12)CC(=O)OC)[c]1([c]5([c]6([c]4([c]31C)C)C)C)C
• 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: 9.4239 ± 0.0011 Å
• b: 9.8236 ± 0.0011 Å
• c: 15.0407 ± 0.0017 Å
• α: 82.461 ± 0.002°
• β: 89.994 ± 0.002°
• γ: 73.199 ± 0.002°
• Cell volume: 1320.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No