Information card for entry 4076474

Structure parameters

• Formula: C44 H56 F3 N Ru3
• Calculated formula: C44 H56 F3 N Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14%15([Ru]%16%17%18%191([H]8)([H]%15)([N]2%14c1ccccc1)(C39c1ccc(cc1)C(F)(F)F)[c]1([c]%17([c]%16([c]%18([c]%191C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane
• Authors of publication: Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1917
• a: 10.7482 ± 0.00019 Å
• b: 39.424 ± 0.0007 Å
• c: 19.0321 ± 0.0004 Å
• α: 90°
• β: 91.272 ± 0.0007°
• γ: 90°
• Cell volume: 8062.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No