Information card for entry 4082631

Structure parameters

• Formula: C22 H18 O4 Ru2 Si
• Calculated formula: C22 H18 O4 Ru2 Si
• SMILES: [Ru]12345([c]6([cH]4[cH]3[cH]2[cH]16)[Si](C)(C)[c]12[c]35[Ru]451([cH]2[cH]4[cH]35)(c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• 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: 15.8063 ± 0.0013 Å
• b: 8.55 ± 0.0007 Å
• c: 15.4134 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2083 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No