Information card for entry 4064084

Structure parameters

• Formula: C30 H44 N O P Ru2
• Calculated formula: C30 H44 N O P Ru2
• SMILES: [Ru]123456([Ru]789%10([P](C)(C)C)(N1c1ccccc1)(C2=O)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)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: 11.949 ± 0.001 Å
• b: 12.1985 ± 0.0013 Å
• c: 20.7663 ± 0.0016 Å
• α: 90°
• β: 97.019 ± 0.004°
• γ: 90°
• Cell volume: 3004.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No