Information card for entry 4118750

Structure parameters

• Formula: C36 H45 N Ru2
• Calculated formula: C36 H44 N Ru2
• SMILES: [Ru]1234567([Ru]89%10%11%12([NH]1c1ccccc1)([CH]1[CH]3=[CH]2c2ccccc2[CH]8=1)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)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: 12.088 ± 0.004 Å
• b: 15.545 ± 0.006 Å
• c: 17.205 ± 0.005 Å
• α: 105.741 ± 0.012°
• β: 94.616 ± 0.012°
• γ: 90.083 ± 0.015°
• Cell volume: 3100.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No