Information card for entry 4107277

Structure parameters

• Formula: C51 H50 Cl N O3 P2 Ru
• Calculated formula: C51 H50 Cl N O3 P2 Ru
• SMILES: [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(cc1)C(=O)OCC)(C#[O])/C=C/CCCC
• Title of publication: Ruthenium Complexes with Vinyl, Styryl, and Vinylpyrenyl Ligands: A Case of Non-innocence in Organometallic Chemistry
• Authors of publication: Jörg Maurer; Michael Linseis; Biprajit Sarkar; Brigitte Schwederski; Mark Niemeyer; Wolfgang Kaim; Stanislav Záliš; Chris Anson; Manfred Zabel; Rainer F. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 259 - 268
• a: 13.2318 ± 0.00008 Å
• b: 26.71192 ± 0.0001 Å
• c: 13.38617 ± 0.0001 Å
• α: 90°
• β: 111.927 ± 0.0008°
• γ: 90°
• Cell volume: 4389.03 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No