Information card for entry 4306351

Structure parameters

• Formula: C14 H30 B20 Co2 S4
• Calculated formula: C14 H30 B20 Co2 S4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]279[BH]%10%13%15[BH]%16%1712)[C]14%12%14[C]368%11S[Co]2(S1)S[C]1345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%163[BH]346[BH]479[BH]6%11%13[BH]%14%151[BH]%16346)[C]58%10%12S2.[cH]12[cH]3[Co]4567892([cH]1[cH]5[cH]37)[cH]1[cH]9[cH]8[cH]6[cH]41
• Title of publication: Cobalt(III)-Mediated Disulfuration and Hydrosulfuration of Alkynes
• Authors of publication: Bao-Hua Xu; Xu-Qing Peng; Zhi-Wei Xu; Yi-Zhi Li; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7928 - 7933
• a: 7.153 ± 0.004 Å
• b: 10.58 ± 0.005 Å
• c: 11.339 ± 0.008 Å
• α: 62.24 ± 0.006°
• β: 82.802 ± 0.01°
• γ: 84.983 ± 0.006°
• Cell volume: 753 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No