Information card for entry 4064088

Structure parameters

• Formula: C32 H39 N O3 Ru2
• Calculated formula: C32 H39 N O3 Ru2
• SMILES: [Ru]123456([Ru]789%10%11([C]2(=[CH2]7)C(=O)N1c1ccc(cc1)C)(C#[O])[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes
• Authors of publication: Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2160
• a: 18.72 ± 0.004 Å
• b: 8.585 ± 0.002 Å
• c: 19.149 ± 0.004 Å
• α: 90°
• β: 105.616 ± 0.009°
• γ: 90°
• Cell volume: 2963.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No