Information card for entry 7112053

Structure parameters

• Formula: C47 H59 Cl O Os P2
• Calculated formula: C47 H59 Cl O Os P2
• SMILES: [Os](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(/C=C/c1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1)C#[O]
• Title of publication: Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching
• Authors of publication: Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Christian Roussel; Loic Toupet; Jochen Autschbach; Regis Reau; Jeanne Crassous
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2854
• a: 10.8261 ± 0.0003 Å
• b: 13.8895 ± 0.0003 Å
• c: 14.4115 ± 0.0003 Å
• α: 83.893 ± 0.002°
• β: 78.095 ± 0.002°
• γ: 86.848 ± 0.002°
• Cell volume: 2107.18 ± 0.09 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No