Information card for entry 7702000

Structure parameters

• Formula: C59 H54 B3 F15 N9 Sc
• Calculated formula: C59 H54 B3 F15 N9 Sc
• Title of publication: Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C₆F₅)₃.
• Authors of publication: Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 95 - 101
• a: 12.5248 ± 0.0005 Å
• b: 15.1903 ± 0.0006 Å
• c: 17.3439 ± 0.0005 Å
• α: 96.529 ± 0.003°
• β: 108.041 ± 0.002°
• γ: 106.308 ± 0.003°
• Cell volume: 2937.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No