Information card for entry 4069637

Structure parameters

• Formula: C29 H30 Ru
• Calculated formula: C29 H30 Ru
• SMILES: [Ru]12345678([c]9%10[c]4([c]43[c]2([cH]19)cccc4)[C@@H]1c2ccccc2[C@H]%10CC1)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Diels−Alder Reactions of Benzyne with Indenyl and Fluorenyl Ruthenium Complexes
• Authors of publication: Luo, Shuang; Zhao, Xi; Mu, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4602
• a: 7.9947 ± 0.0016 Å
• b: 13.711 ± 0.003 Å
• c: 20.154 ± 0.004 Å
• α: 73.78 ± 0.03°
• β: 89.93 ± 0.03°
• γ: 82.07 ± 0.03°
• Cell volume: 2099.4 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No