Information card for entry 4070862

Structure parameters

• Chemical name: [(eta6-acetophenone)Ru(eta5-C5Me4CH2OH)]PF6
• Formula: C36 H46 F12 O4 P2 Ru2
• Calculated formula: C36 H46 F12 O4 P2 Ru2
• Title of publication: [(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms
• Authors of publication: Fairchild, Robert M.; Holman, K. Travis
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1823
• a: 7.362 ± 0.0004 Å
• b: 12.5244 ± 0.0007 Å
• c: 21.2886 ± 0.0011 Å
• α: 90°
• β: 92.984 ± 0.001°
• γ: 90°
• Cell volume: 1960.25 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No