Information card for entry 7020391

Structure parameters

• Formula: C20 H29 B10 Co O6 S2
• Calculated formula: C20 H29 B10 Co O6 S2
• SMILES: [B]1234([BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%15%16%17[BH]25([BH]27%16[BH]1%12%15[BH]68%102)[C]14%14%17[C]39%11%13[S]2C=C(C=C(C(=O)OC)[Co]34562([c]2([cH]6[cH]5[cH]4[cH]32)C)S1)C(=O)OC)/C=C\C(=O)OC
• Title of publication: Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.
• Authors of publication: Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12054 - 12063
• a: 18.876 ± 0.003 Å
• b: 7.2866 ± 0.0011 Å
• c: 20.337 ± 0.003 Å
• α: 90°
• β: 95.195 ± 0.002°
• γ: 90°
• Cell volume: 2785.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No