Information card for entry 4071901

Structure parameters

• Formula: C22 H34 Cl2 O2 Os2
• Calculated formula: C22 H34 Cl2 O2 Os2
• SMILES: [O]1([Os]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)([O]([Os]234561([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C)Cl)C)Cl)C
• Title of publication: Osmium-Catalyzed Allylic Alkylation
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4892
• a: 9.072 ± 0.0015 Å
• b: 16.049 ± 0.003 Å
• c: 8.2477 ± 0.0014 Å
• α: 90°
• β: 102.549 ± 0.003°
• γ: 90°
• Cell volume: 1172.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No