Information card for entry 4109916

Structure parameters

• Formula: C33 H56 B F4 N O Os P2
• Calculated formula: C33 H56 B F4 N O Os P2
• SMILES: [OsH2]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([O]=C(c2c1cccc2)c1ccccc1)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium
• Authors of publication: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10998 - 10999
• a: 12.015 ± 0.004 Å
• b: 20.5 ± 0.006 Å
• c: 14.826 ± 0.005 Å
• α: 90°
• β: 99.001 ± 0.005°
• γ: 90°
• Cell volume: 3607 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No