Information card for entry 4118728

Structure parameters

• Formula: C35 H55 Cl O P2 Ru
• Calculated formula: C35 H55 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/c1ccc(cc1)/C=C/c1ccccc1
• Title of publication: Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer
• Authors of publication: Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16671 - 16692
• a: 9.9906 ± 0.0009 Å
• b: 16.1232 ± 0.0013 Å
• c: 10.7986 ± 0.001 Å
• α: 90°
• β: 98.644 ± 0.01°
• γ: 90°
• Cell volume: 1719.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No