Information card for entry 7713292

Structure parameters

• Chemical name: Triscarborane_ethaylacetate adduct
• Formula: C10 H41 B31 O2
• Calculated formula: C10 H41 B31 O2
• Title of publication: Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.
• Authors of publication: Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.5389 ± 0.0009 Å
• b: 12.0167 ± 0.001 Å
• c: 13.0713 ± 0.0009 Å
• α: 67.038 ± 0.003°
• β: 81.962 ± 0.003°
• γ: 87.4 ± 0.003°
• Cell volume: 1509.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No