Information card for entry 4069643

Structure parameters

• Formula: C23 H51 N Os P2
• Calculated formula: C23 H51 N Os P2
• SMILES: [OsH4]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]1ccccc1
• Title of publication: Stoichiometric and Catalytic Deuteration of Pyridine and Methylpyridines by H/D Exchange with Benzene-d6Promoted by an Unsaturated Osmium Tetrahydride Species
• Authors of publication: Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3700
• a: 7.9417 ± 0.0014 Å
• b: 18.47 ± 0.003 Å
• c: 18.331 ± 0.003 Å
• α: 90°
• β: 93.388 ± 0.003°
• γ: 90°
• Cell volume: 2684.2 ± 0.8 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: 0.0958
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No