Information card for entry 4118749

Structure parameters

• Formula: C52 H74 N2 Ru4
• Calculated formula: C52 H67 N2 Ru4
• SMILES: [Ru]1234567([Ru]89%10%11(N1[C]12=[CH]3[CH]2[Ru]3%12%13%14%15%16([Ru]%17%18%19%20%21(N3c3ccccc3)([CH]1=[CH]%17[CH]=2%12)[c]1([c]%21([c]%20([c]%19([c]%181C)C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes
• Authors of publication: Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17027 - 17035
• a: 11.667 ± 0.004 Å
• b: 24.155 ± 0.008 Å
• c: 17.914 ± 0.008 Å
• α: 90°
• β: 107.131 ± 0.015°
• γ: 90°
• Cell volume: 4824 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No