Information card for entry 4082627

Structure parameters

• Formula: C18 H16 O4 Ru2
• Calculated formula: C18 H16 O4 Ru2
• SMILES: [Ru]12345([c]6([cH]1[cH]2[cH]3[cH]46)C(C)(C)[c]12[c]35[Ru]451([cH]3[cH]4[cH]25)(C#[O])(C#[O])C)(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: 7.8109 ± 0.0014 Å
• b: 9.1906 ± 0.0016 Å
• c: 12.773 ± 0.002 Å
• α: 85.242 ± 0.003°
• β: 77.065 ± 0.003°
• γ: 81.797 ± 0.003°
• Cell volume: 883.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No