Information card for entry 7218639

Structure parameters

• Formula: C14 H29 B10 Co N0 O3 S2
• Calculated formula: C14 H29 B10 Co O3 S2
• SMILES: [Co]123456([S]([C]789%10[C]%11%12%13(S1)[BH]1%147[BH]7%15%16[BH]%17%121[BH]1%12%15[BH]%15%18%19[BH]8%11([BH]8%10%15[BH]9%147[BH]%16%12%198)[BH]%13%171%18)CC(=O)O2)[c]1([c]6([c]4([c]3([c]51C)C)C)C)C.O
• 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: 7.504 ± 0.004 Å
• b: 10.477 ± 0.005 Å
• c: 16.018 ± 0.008 Å
• α: 103.281 ± 0.008°
• β: 96.54 ± 0.008°
• γ: 107.695 ± 0.008°
• Cell volume: 1144.5 ± 1 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: 0.1132
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No