Information card for entry 4116091

Structure parameters

• Formula: C65 H74 B F24 N O P2 Ru
• Calculated formula: C65 H74 B F24 N O P2 Ru
• Title of publication: Ruthenium Assisted Reversible Proton Transfer from an Aromatic Carbon to a Hydride
• Authors of publication: Andrew J. Toner; Stephan Gründemann; Eric Clot; Hans-Heinrich Limbach; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6777 - 6778
• a: 15.232 ± 0.003 Å
• b: 25.028 ± 0.005 Å
• c: 19.142 ± 0.004 Å
• α: 90°
• β: 110.7 ± 0.02°
• γ: 90°
• Cell volume: 6826 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0949
• 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