Information card for entry 7014545

Structure parameters

• Formula: C77 H90 B20 Cl2 Co2 N4 O5 S4
• Calculated formula: C77 H90 B20 Cl2 Co2 N4 O5 S4
• Title of publication: Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.
• Authors of publication: Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2306 - 2313
• a: 11.9529 ± 0.0019 Å
• b: 13.509 ± 0.002 Å
• c: 14.2512 ± 0.0015 Å
• α: 87.561 ± 0.002°
• β: 69.562 ± 0.003°
• γ: 81.836 ± 0.002°
• Cell volume: 2134.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No