Information card for entry 4074170

Structure parameters

• Formula: C10 H10 Cl4 Ru2
• Calculated formula: C10 H10 Cl4 Ru2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]162345([Ru]2345([cH]7[cH]2[cH]3[cH]4[cH]57)([Cl]1)([Cl]6)Cl)Cl
• 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: 6.9875 ± 0.0015 Å
• b: 12.489 ± 0.003 Å
• c: 14.649 ± 0.003 Å
• α: 90 ± 0.005°
• β: 99.121 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1262.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No