Information card for entry 4082630

Structure parameters

• Formula: C22 H28 O4 Ru2 Si2
• Calculated formula: C22 H28 O4 Ru2 Si2
• SMILES: [c]123[c]4([cH]5[cH]6[cH]1[Ru]2456(C#[O])(C#[O])CC)[Si]([c]12[c]4([Si]3(C)C)[cH]3[cH]5[cH]1[Ru]2435(C#[O])(C#[O])CC)(C)C
• Title of publication: Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes
• Authors of publication: Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 240
• a: 14.6755 ± 0.0013 Å
• b: 13.023 ± 0.0013 Å
• c: 12.9947 ± 0.0012 Å
• α: 90°
• β: 101.586 ± 0.002°
• γ: 90°
• Cell volume: 2432.9 ± 0.4 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 all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No