Information card for entry 4079930

Structure parameters

• Formula: C39 H54 Ru3
• Calculated formula: C39 H42 Ru3
• 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: 25.0973 ± 0.0005 Å
• b: 11.5168 ± 0.0002 Å
• c: 25.4917 ± 0.0005 Å
• α: 90°
• β: 101.596 ± 0.0007°
• γ: 90°
• Cell volume: 7217.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No