Information card for entry 4107276

Structure parameters

• Formula: C25 H53 Cl O P2 Ru
• Calculated formula: C25 H53 Cl O P2 Ru
• SMILES: [Ru](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(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: 12.8317 ± 0.0009 Å
• b: 11.5248 ± 0.0008 Å
• c: 21.1954 ± 0.0016 Å
• α: 90°
• β: 103.428 ± 0.006°
• γ: 90°
• Cell volume: 3048.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0517
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No