Information card for entry 4078644

Structure parameters

• Formula: C36 H37 F6 O3 P3 Ru
• Calculated formula: C36 H37 F6 O3 P3 Ru
• Title of publication: Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry
• Authors of publication: Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5262
• a: 16.548 ± 0.001 Å
• b: 11.421 ± 0.002 Å
• c: 18.348 ± 0.001 Å
• α: 90°
• β: 95.738 ± 0.001°
• γ: 90°
• Cell volume: 3450.3 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No