Information card for entry 7218642

Structure parameters

• Formula: C17 H26 B10 Co N O4 S3
• Calculated formula: C17 H26 B10 Co N O4 S3
• SMILES: [C]12345[S]6[Co]789%10([cH]%11[cH]7[cH]9[cH]%10[cH]8%11)(N(S[C]7891[BH]1%103[BH]3%112[BH]2%125[BH]547[BH]472[BH]295[BH]581[BH]1%103[BH]%11%124[BH]7251)S(=O)(=O)c1ccc(cc1)C)C6C(=O)OC
• 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: 7.6763 ± 0.0006 Å
• b: 10.9331 ± 0.0008 Å
• c: 16.1145 ± 0.0012 Å
• α: 94.315 ± 0.001°
• β: 92.673 ± 0.001°
• γ: 95.658 ± 0.001°
• Cell volume: 1340.03 ± 0.17 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: 0.0447
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No