Information card for entry 4071658

Structure parameters

• Formula: C20.6 H25 Br F6 N P Ru
• Calculated formula: C20.59 H25 Br F6 N P Ru
• Title of publication: Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry
• Authors of publication: Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3796
• a: 8.2925 ± 0.001 Å
• b: 15.354 ± 0.002 Å
• c: 17.775 ± 0.002 Å
• α: 90°
• β: 94.66 ± 0.01°
• γ: 90°
• Cell volume: 2255.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No