Information card for entry 4329306

Structure parameters

• Formula: C41 H94 N2 O2 Os2 P4
• Calculated formula: C41 H94 N2 O2 Os2 P4
• SMILES: [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)Oc2[n]1c1O[OsH3]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]1cc2C
• 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: 14.6768 ± 0.0007 Å
• b: 16.0063 ± 0.0007 Å
• c: 21.5187 ± 0.001 Å
• α: 90°
• β: 99.218 ± 0.001°
• γ: 90°
• Cell volume: 4989.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No