Information card for entry 7028981

Structure parameters

• Formula: C136 H228 F42 N12 P14 Ru6
• Calculated formula: C136 H228 F42 N12 P14 Ru6
• 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: 16.9556 ± 0.001 Å
• b: 16.9556 ± 0.001 Å
• c: 16.9556 ± 0.001 Å
• α: 105.795°
• β: 105.795°
• γ: 105.795°
• Cell volume: 4185.9 ± 0.4 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3: R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No