Information card for entry 4118663

Structure parameters

• Formula: C72 H110 Cl10 O2 P4 Ru2
• Calculated formula: C72 H110 Cl10 O2 P4 Ru2
• SMILES: C(=C\c1ccc2ccc3ccc4ccc5ccc6ccc(/C=C/[Ru]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(C#[O])Cl)cc6c5c4c3c2c1)/[Ru]([P](C(C)C)(C(C)C)C(C)C)(Cl)([P](C(C)C)(C(C)C)C(C)C)C#[O].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core
• Authors of publication: Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15628 - 15631
• a: 12.1161 ± 0.0002 Å
• b: 19.0277 ± 0.0002 Å
• c: 35.7678 ± 0.0005 Å
• α: 90°
• β: 99.739 ± 0.001°
• γ: 90°
• Cell volume: 8127.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No