Information card for entry 4079932

Structure parameters

• Formula: C38 H59 N Ru3
• Calculated formula: C38 H41 N Ru3
• SMILES: [RuH]12345678([Ru]9%10%11%12%13%14([H]8)([Ru]8%15%16%17%18%191(C2%14)([CH]9=[CH]8C3%15NC(C)(C)C)[c]1([c]%19([c]%18([c]%17([c]%161C)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: Synthesis and Dynamic Properties of a Triruthenium Complex Containing μ3-η2(∥)-Ethyne and μ3-Methylidyne Ligands: Equilibrium of an Ethyne‒Hydrido Complex with a Nonclassical μ3-Vinyl Complex
• Authors of publication: Tahara, Atsushi; Kajigaya, Mana; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 260
• a: 13.1916 ± 0.0003 Å
• b: 15.5913 ± 0.0004 Å
• c: 17.406 ± 0.0004 Å
• α: 90°
• β: 92.289 ± 0.0008°
• γ: 90°
• Cell volume: 3577.11 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No