Information card for entry 4329305

Structure parameters

• Formula: C27 H56 N2 O5 Os P2
• Calculated formula: C27 H56 N2 O5 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)N2C(C=CN(C2=O)[C@@H]2O[C@@H]([C@@H](O)C2)CO)=[O]1
• Title of publication: N-H and N-C Bond Activation of Pyrimidinic Nucleobases and Nucleosides Promoted by an Osmium Polyhydride
• Authors of publication: Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Enrique Oñate
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5975 - 5984
• a: 11.0603 ± 0.0015 Å
• b: 16.493 ± 0.002 Å
• c: 17.632 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3216.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No