Information card for entry 4074192

Structure parameters

• Common name: [(η^5^-C~5~Me~5~)Ru(dippe){=C=CHCHPhCH~2~COCH~3~}][BF~4~]
• Chemical name: {1,2-bis(diisopropylphosphino)ethane}-(pentahapto-pentamethylcyclopentadienyl) -{(1-phenyl-3-acetyl)butyl-vinylidene}-ruthenium (II) tetrafluorborate
• Formula: C36 H59 B F4 O P2 Ru
• Calculated formula: C36 H59 B F4 O P2 Ru
• Title of publication: Ruthenium Allenylidene/Alkenylcarbyne Complexes Triggering Keto−Enol Tautomerism: An Alternative Approach to γ-Keto Vinylidenes from Simple Ketones and 1,3-Dicarbonyl Compounds
• Authors of publication: Bustelo, Emilio; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 4019
• a: 14.78 ± 0.003 Å
• b: 11.933 ± 0.002 Å
• c: 20.543 ± 0.004 Å
• α: 90°
• β: 93.15 ± 0.03°
• γ: 90°
• Cell volume: 3617.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No