Information card for entry 4112923

Structure parameters

• Formula: C40 H45 N Ru2
• Calculated formula: C39 H44 N2 Ru2
• SMILES: [C]123(c4ccccc4)[N]4(c5ccccc5)[Ru]567891([c]1([c]5([c]6([c]8([c]71C)C)C)C)C)[N]2(c1ccccc1)[Ru]1256349[c]3([c]1([c]2([c]5([c]63C)C)C)C)C
• Title of publication: Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne
• Authors of publication: Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10802 - 10803
• a: 16.2289 ± 0.0014 Å
• b: 12.5086 ± 0.0013 Å
• c: 17.0085 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3452.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No