Information card for entry 7702001

Structure parameters

• Formula: C37 H44 B2 N9 O Sc Si
• Calculated formula: C37 H44 B2 N9 O Sc Si
• 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: 12.6144 ± 0.0004 Å
• b: 13.6594 ± 0.0005 Å
• c: 21.945 ± 0.0008 Å
• α: 90°
• β: 99.015 ± 0.002°
• γ: 90°
• Cell volume: 3734.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No