Information card for entry 7105694

Structure parameters

• Formula: C26 H26 B F10 N2
• Calculated formula: C26 H26 B F10 N2
• Title of publication: Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair
• Authors of publication: Eileen Theuergarten; Danny Schluns; Jorg Grunenberg; Constantin Daniliuc; Peter Jones; Matthias Tamm
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8561
• a: 9.6918 ± 0.0002 Å
• b: 10.6951 ± 0.0002 Å
• c: 13.4413 ± 0.0004 Å
• α: 70.662 ± 0.002°
• β: 88.369 ± 0.002°
• γ: 84.317 ± 0.002°
• Cell volume: 1308.17 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No