Information card for entry 4088765

Structure parameters

• Formula: C53 H70 F3 N2 O5 Os P S
• Calculated formula: C53 H70 F3 N2 O5 Os P S
• Title of publication: Dehydrogenative Addition of Aldehydes to a Mixed NHC-Osmium-Phosphine Hydroxide Complex: Formation of Carboxylate Derivatives
• Authors of publication: Buil, María L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2171
• a: 11.0512 ± 0.0014 Å
• b: 23.076 ± 0.003 Å
• c: 20.426 ± 0.003 Å
• α: 90°
• β: 90.561 ± 0.002°
• γ: 90°
• Cell volume: 5208.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No