Information card for entry 7027680

Structure parameters

• Formula: C36 H40 O4 P2 Ru
• Calculated formula: C36 H40 O4 P2 Ru
• SMILES: C1(C)=CC(C)=[O][Ru]2(O1)([P](c1ccccc1)(c1ccccc1)C)([O]=C(C)C=C(C)O2)[P](c1ccccc1)(c1ccccc1)C
• Title of publication: Bis(acetylacetonato)bis(cyclooctene)ruthenium(II), cis-[Ru(acac)2(η2-C8H14)2]: a synthetic precursor to trans- and cis-bis(acetylacetonato)ruthenium(II) complexes †
• Authors of publication: Bennett, Martin A.; Chung, Guandolina; Hockless, David C. R.; Neumann, Horst; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3451
• a: 12.27 ± 0.002 Å
• b: 15.443 ± 0.004 Å
• c: 17.748 ± 0.003 Å
• α: 90°
• β: 90.46 ± 0.01°
• γ: 90°
• Cell volume: 3362.9 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No