Information card for entry 4074636

Structure parameters

• Formula: C30 H24 O6 Ru2
• Calculated formula: C30 H24 O6 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11(C1=O)(C2=O)(C#[O])[c]1([cH]%11[cH]%10[cH]9[cH]81)[C@H]([C@H]([c]17[cH]3[cH]4[cH]5[cH]61)c1ccc(OC)cc1)c1ccc(OC)cc1)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: 9.869 ± 0.005 Å
• b: 10.941 ± 0.006 Å
• c: 13.37 ± 0.007 Å
• α: 84.886 ± 0.008°
• β: 70.146 ± 0.008°
• γ: 64.953 ± 0.008°
• Cell volume: 1227.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No