Information card for entry 4329307

Structure parameters

• Formula: C22 H48 N2 O2 Os P2
• Calculated formula: C22 H48 N2 O2 Os P2
• 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: 17.7824 ± 0.0017 Å
• b: 20.108 ± 0.002 Å
• c: 30.682 ± 0.003 Å
• α: 90°
• β: 96.974 ± 0.001°
• γ: 90°
• Cell volume: 10889.7 ± 1.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No