Information card for entry 4072253

Structure parameters

• Formula: C24 H51 N Os P2
• Calculated formula: C24 H51 N Os P2
• SMILES: [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2c1cccc2C
• Title of publication: Aromatic C−H Bond Activation of 2-Methylpyridine Promoted by an Osmium(VI) Complex: Formation of an η2(N,C)-Pyridyl Derivative
• Authors of publication: Esteruelas, Miguel A.; Forcén, Elena; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6188
• a: 9.053 ± 0.002 Å
• b: 23.341 ± 0.006 Å
• c: 12.827 ± 0.003 Å
• α: 90°
• β: 90.305 ± 0.005°
• γ: 90°
• Cell volume: 2710.4 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No