Information card for entry 4074635

Structure parameters

• Formula: C31 H26 O7 Ru2
• Calculated formula: C31 H26 O7 Ru2
• SMILES: [Ru]123([Ru]4567(C#[O])(C#[O])[c]8([C]93=[C]2(C1c1ccc(OC)cc1)CCC9)[cH]4[cH]5[cH]6[c]78Cc1ccc(OC)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes
• Authors of publication: Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1158 - 1166
• a: 8.687 ± 0.009 Å
• b: 11.673 ± 0.012 Å
• c: 27.86 ± 0.03 Å
• α: 90°
• β: 97.826 ± 0.016°
• γ: 90°
• Cell volume: 2799 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No