Information card for entry 4082266

Structure parameters

• Formula: C12 H20 B10 Co2 Se2
• Calculated formula: C12 H20 B10 Co2 Se2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]14%135[C]37%10%12[Se]2[Co]34567([cH]8[cH]6[cH]5[cH]4[cH]38)[Co]34562([cH]2[cH]3[cH]4[cH]5[cH]62)[Se]17
• Title of publication: Reactivity of CpCo 16eHalf-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand toward Phenylacetylene
• Authors of publication: Xu, Bao-Hua; Wu, De-Hong; Li, Yi-Zhi; Yan, Hong
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4344
• a: 12.25 ± 0.003 Å
• b: 9.259 ± 0.003 Å
• c: 17.685 ± 0.005 Å
• α: 90°
• β: 99.682 ± 0.004°
• γ: 90°
• Cell volume: 1977.3 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No