Information card for entry 7702003

Structure parameters

• Formula: C54 H40 B3 F15 N9 O Sc
• Calculated formula: C54 H40 B3 F15 N9 O 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: 12.552 ± 0.005 Å
• b: 13.862 ± 0.005 Å
• c: 18.123 ± 0.008 Å
• α: 105.43 ± 0.011°
• β: 94.261 ± 0.012°
• γ: 115.595 ± 0.008°
• Cell volume: 2675.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No