Information card for entry 4082267

Structure parameters

• Formula: C46 H56 B20 Co2 O S4
• Calculated formula: C46 H56 B20 Co2 O S4
• 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: 11.152 ± 0.01 Å
• b: 12.074 ± 0.01 Å
• c: 20.855 ± 0.016 Å
• α: 90°
• β: 105.51 ± 0.04°
• γ: 90°
• Cell volume: 2706 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No