Information card for entry 4072337

Structure parameters

• Formula: C24 H51 Cl2 N Os P2
• Calculated formula: C24 H51 Cl2 N Os P2
• SMILES: [OsH2](Cl)(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1[nH+]c(ccc1)C
• Title of publication: NH-Tautomerization of 2-Substituted Pyridines and Quinolines on Osmium and Ruthenium: Determining Factors and Mechanism
• Authors of publication: Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6236
• a: 8.75 ± 0.002 Å
• b: 18.705 ± 0.005 Å
• c: 17.512 ± 0.005 Å
• α: 90°
• β: 96.759 ± 0.004°
• γ: 90°
• Cell volume: 2846.2 ± 1.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No