Information card for entry 4074637

Structure parameters

• Formula: C36 H36 O4 Ru2
• Calculated formula: C36 H36 O4 Ru2
• SMILES: C(#[O])[Ru]12345(C#[O])[c]6([cH]1[c]2([cH]4[c]36[c]12[c]3([cH]4[c]6([cH]1[Ru]52346(C#[O])C#[O])C(C)(C)C)Cc1ccccc1)C(C)(C)C)Cc1ccccc1
• 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: 22.262 ± 0.005 Å
• b: 7.069 ± 0.002 Å
• c: 22.29 ± 0.005 Å
• α: 90°
• β: 112.186 ± 0.019°
• γ: 90°
• Cell volume: 3248.1 ± 1.4 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: 0.0801
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No