Information card for entry 4068841

Structure parameters

• Common name: [(η^5^-C~5~Me~5~)Ru(=C=C=CHPh)(PEt~3~)~2~][BF~4~]
• Chemical name: (η^5^-pentamethyl-cyclopentadienyl)-(3-phenylallenylidene)- bis(triethylphosphine)-ruthenium (II) tetrafluoroborate
• Formula: C30.92 H51 B F4 P2 Ru
• Calculated formula: C30.92 H51 B F4 P2 Ru
• Title of publication: Allenylidene/Alkenylcarbyne Synthesis and Reactivity in Ruthenium Complexes with Monodentate Phosphine Ligands
• Authors of publication: Pino-Chamorro, Jose Angel; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1546
• a: 9.976 ± 0.002 Å
• b: 10.613 ± 0.002 Å
• c: 30.708 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3251.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No