Information card for entry 4074169

Structure parameters

• Formula: C24 H33 Cl F6 N P Ru
• Calculated formula: C24 H33 Cl F6 N P Ru
• Title of publication: X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes
• Authors of publication: Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4520
• a: 8.4912 ± 0.0004 Å
• b: 14.654 ± 0.0006 Å
• c: 21.1911 ± 0.0009 Å
• α: 90°
• β: 97.822 ± 0.001°
• γ: 90°
• Cell volume: 2612.3 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No