Information card for entry 7028982

Structure parameters

• Formula: C35 H38 F6 N2 P2 Ru
• Calculated formula: C35 H38 F6 N2 P2 Ru
• Title of publication: [Ru(η(5)-C5H5)(η(6)-C10H8)]PF6 as a catalyst precursor for the one-pot direct C-H alkenylation of nitrogen heterocycles.
• Authors of publication: Lynam, Jason M.; Milner, Lucy M.; Mistry, Neetisha S.; Slattery, John M.; Warrington, Sally R.; Whitwood, Adrian C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4565 - 4572
• a: 10.1826 ± 0.0002 Å
• b: 15.1616 ± 0.0004 Å
• c: 22.6072 ± 0.0012 Å
• α: 89.425 ± 0.003°
• β: 88.941 ± 0.003°
• γ: 85.4958 ± 0.0018°
• Cell volume: 3478.7 ± 0.2 ų
• Cell temperature: 109.95 ± 0.1 K
• Ambient diffraction temperature: 109.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No