Information card for entry 7027950

Structure parameters

• Chemical name: Tris(acetylacetonato)ruthenium (III)
• Formula: C15 H21 O6 Ru
• Calculated formula: C15 H21 O6 Ru
• Title of publication: Structure, covalence and spin polarisation in tris(acetylacetonato)ruthenium(III) studied by X-ray and polarised neutron diffraction †
• Authors of publication: Reynolds, Philip A.; Cable, Joe W.; Sobolev, Alexander N.; Figgis, Brian N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 4
• Pages of publication: 559
• a: 13.758 ± 0.002 Å
• b: 7.41 ± 0.001 Å
• c: 16.095 ± 0.003 Å
• α: 90°
• β: 99.34 ± 0.01°
• γ: 90°
• Cell volume: 1619.1 ± 0.4 ų
• Cell temperature: 10.5 ± 0.5 K
• Ambient diffraction temperature: 10.5 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No