Information card for entry 4306354

Structure parameters

• Formula: C10 H20 B10 O4 S2
• Calculated formula: C10 H20 B10 O4 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]4%13%16([C]37%10%12S\C=C/C(=O)OC)S\C=C/C(=O)OC
• 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: 10.028 ± 0.003 Å
• b: 10.509 ± 0.003 Å
• c: 11.515 ± 0.004 Å
• α: 65.152 ± 0.004°
• β: 84.841 ± 0.005°
• γ: 61.93 ± 0.004°
• Cell volume: 962.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No