Information card for entry 7218636

Structure parameters

• Formula: C25 H40 B10 Co N O6 S3
• Calculated formula: C25 H40 B10 Co N O6 S3
• SMILES: [Co]123456(S[C]789%10[C]%11%12%13([S]1C(=C(O2)OC)C(NS(=O)(=O)c1ccc(cc1)C)C(=O)OC)[BH]127[BH]7%14%11[BH]%11%15%12[BH]%128%13[BH]8%139[BH]9%101[BH]127[BH]2%14%11[BH]%15%128[BH]%13912)[c]1([c]3([c]4([c]5([c]61C)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: 14.9811 ± 0.0014 Å
• b: 12.0288 ± 0.0011 Å
• c: 19.4267 ± 0.0018 Å
• α: 90°
• β: 97.971 ± 0.001°
• γ: 90°
• Cell volume: 3467 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No