Information card for entry 4067745

Structure parameters

• Formula: C34 H28 N2 O4 Ru
• Calculated formula: C34 H28 N2 O4 Ru
• SMILES: [Ru]12(OC(=CC=[N]1c1ccccc1)c1ccc(cc1)C)(OC(=CC=[N]2c1ccccc1)c1ccc(cc1)C)(C#[O])C#[O]
• Title of publication: Isolation and Characterization of New Mono- and Polynuclear Complexes Formed in the Thermal Reaction of Ru3(CO)12with 1-(4-Tolyl)-3-phenylaminoprop-2-en-1-one
• Authors of publication: Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel’tser, Nikolay A.; Petrovskii, Pavel V.; Peregudov, Alexander S.; Kreindlin, Arkadii Z.; Antipin, Mikhail Yu.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 1012
• a: 9.7494 ± 0.0017 Å
• b: 10.4531 ± 0.0018 Å
• c: 14.587 ± 0.003 Å
• α: 81.119 ± 0.004°
• β: 78.646 ± 0.004°
• γ: 78.244 ± 0.004°
• Cell volume: 1416.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No