Information card for entry 4102162

Structure parameters

• Formula: C50 H56 N8 Ru2
• Calculated formula: C50 H56 N8 Ru2
• SMILES: C1(c2cccc3C(=[N](c4c(cccc4C)C)[RuH]([N]=1c1c(cccc1C)C)([n]23)[N]#[N][RuH]12[N](=C(c3cccc(C(=[N]2c2c(cccc2C)C)C)[n]13)C)c1c(cccc1C)C)C)C
• Title of publication: Evidence for Ligand Non-innocence in a Formally Ruthenium(I) Hydride Complex
• Authors of publication: Noah L. Wieder; Michelle Gallagher; Patrick J. Carroll; Donald H. Berry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4107 - 4109
• a: 20.888 ± 0.003 Å
• b: 11.7854 ± 0.0019 Å
• c: 21.287 ± 0.003 Å
• α: 90°
• β: 119.255 ± 0.001°
• γ: 90°
• Cell volume: 4571.9 ± 1.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No