Information card for entry 4074633

Structure parameters

• Formula: C29 H22 Cl2 O4 Ru2
• Calculated formula: C29 H22 Cl2 O4 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)c1ccccc1)c1ccccc1)C#[O].ClCCl
• 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: 22.024 ± 0.006 Å
• b: 14.171 ± 0.005 Å
• c: 16.957 ± 0.006 Å
• α: 90°
• β: 90.719 ± 0.008°
• γ: 90°
• Cell volume: 5292 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0992
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No