Information card for entry 7702002

Structure parameters

• Formula: C104 H83 B5 Cl F15 N18 Sc2
• Calculated formula: C104 H83 B5 Cl F15 N18 Sc2
• 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: 17.2598 ± 0.0009 Å
• b: 17.7327 ± 0.001 Å
• c: 19.0548 ± 0.0014 Å
• α: 74.561 ± 0.005°
• β: 77.281 ± 0.005°
• γ: 61.891 ± 0.004°
• Cell volume: 4927.6 ± 0.6 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: 0.1649
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.306
• Weighted residual factors for all reflections included in the refinement: 0.3654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No