Information card for entry 7005241

Structure parameters

• Formula: C42 H44 Cl4 O4 P2 Ru
• Calculated formula: C42 H44 Cl4 O4 P2 Ru
• SMILES: CC1=CC(C)=[O][Ru]2(O1)([P](C#CC)(c1ccccc1)c1ccccc1)([O]=C(C)C=C(C)O2)[P](C#CC)(c1ccccc1)c1ccccc1.ClCCl.C(Cl)Cl
• Title of publication: Bis(acetylacetonato)ruthenium(II) complexes containing alkynyldiphenylphosphines. Formation and redox behaviour of [Ru(acac)2(Ph2PC triple bond CR)2] (R=H, Me, Ph) complexes and the binuclear complex cis-[{Ru(acac)2}2(micro-Ph2PC triple bond CPPh2)}2].
• Authors of publication: Bennett, Martin A.; Byrnes, Matthew J.; Willis, Anthony C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 17
• Pages of publication: 1677 - 1686
• a: 10.247 ± 0.001 Å
• b: 11.045 ± 0.003 Å
• c: 11.72 ± 0.003 Å
• α: 117.21 ± 0.02°
• β: 94.27 ± 0.02°
• γ: 107.61 ± 0.01°
• Cell volume: 1088.4 ± 0.5 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 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: 0.0313
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections: 1.591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.628
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No