Information card for entry 4074632

Structure parameters

• Formula: C28 H20 O4 Ru2
• Calculated formula: C28 H20 O4 Ru2
• SMILES: C(#[O])[Ru]12345([c]6([c]3([cH]2[cH]1[cH]46)Cc1ccccc1)[c]12[cH]3[cH]4[cH]6[c]1(Cc1ccccc1)[Ru]52346(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: 24.07 ± 0.007 Å
• b: 7.29 ± 0.002 Å
• c: 16.239 ± 0.005 Å
• α: 90°
• β: 124.083 ± 0.004°
• γ: 90°
• Cell volume: 2360 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No