Information card for entry 4067747

Structure parameters

• Formula: C50 H43 N3 O5 Ru
• Calculated formula: C50 H43 N3 O5 Ru
• SMILES: [Ru]12([O]=C(C=C2Nc2ccccc2)c2ccc(cc2)C)(OC(=CC=[N]1c1ccccc1)c1ccc(cc1)C)(C#[O])C#[O].O=C(\C=C/Nc1ccccc1)c1ccc(cc1)C
• 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: 10.256 ± 0.006 Å
• b: 27.132 ± 0.015 Å
• c: 15.157 ± 0.009 Å
• α: 90°
• β: 91.619 ± 0.008°
• γ: 90°
• Cell volume: 4216 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2104
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No