Information card for entry 4112922

Structure parameters

• Formula: C27 H35 N O Ru2
• Calculated formula: C27 H35 N O Ru2
• SMILES: [Ru]123456([Ru]789%10(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: 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: 8.616 ± 0.002 Å
• b: 10.869 ± 0.003 Å
• c: 15.068 ± 0.004 Å
• α: 102.086 ± 0.009°
• β: 94.544 ± 0.011°
• γ: 111.186 ± 0.011°
• Cell volume: 1267.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No