Information card for entry 4064086

Structure parameters

• Formula: C38 H55 N3 Ru2
• Calculated formula: C38 H55 N3 Ru2
• SMILES: [Ru]123456([Ru]789%10(N1c1ccccc1)(C2=C)(C#[N]C(C)(C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(C#[N]C(C)(C)C)[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: 10.463 ± 0.003 Å
• b: 18.375 ± 0.005 Å
• c: 19.38 ± 0.005 Å
• α: 90°
• β: 93.921 ± 0.012°
• γ: 90°
• Cell volume: 3717.2 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No