Information card for entry 4515589

Structure parameters

• Formula: C28 H26 B F12 P
• Calculated formula: C28 H26 B F12 P
• Title of publication: Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
• Authors of publication: Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 4459
• a: 10.6496 ± 0.0004 Å
• b: 15.3406 ± 0.0007 Å
• c: 18.042 ± 0.0008 Å
• α: 90°
• β: 95.278 ± 0.002°
• γ: 90°
• Cell volume: 2935 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No