Information card for entry 4072288

Structure parameters

• Formula: C29 H44 Cl2 N3 P Ru
• Calculated formula: C29 H44 Cl2 N3 P Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3c(cccc3C(C)=[N]2CCCC=C)C(C)=[N]1c1c(cccc1C(C)C)C(C)C)[P](C)(C)C
• Title of publication: Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†
• Authors of publication: Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6557
• a: 15.031 ± 0.001 Å
• b: 10.724 ± 0.001 Å
• c: 19.3 ± 0.001 Å
• α: 90°
• β: 101.05 ± 0.01°
• γ: 90°
• Cell volume: 3053.3 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No