Information card for entry 7020389

Structure parameters

• Formula: C15 H27 B10 Co O2 S4
• Calculated formula: C15 H27 B10 Co O2 S4
• 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]3%12%16([C]47%10%13S/C=C\C(=O)OC)S[Co]12345([cH]6[cH]4[cH]3[cH]2[cH]16)SC(=[S]5)C(C)C
• 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: 12.7245 ± 0.0012 Å
• b: 14.4172 ± 0.0013 Å
• c: 14.6045 ± 0.0014 Å
• α: 90°
• β: 103.424 ± 0.001°
• γ: 90°
• Cell volume: 2606 ± 0.4 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: 0.072
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No