Information card for entry 4080790

Structure parameters

• Formula: C56 H67 F3 N2 O3 Os S Si
• Calculated formula: C56 H67 F3 N2 O3 Os S Si
• SMILES: [OsH2]12345([Si](c6ccccc6)(c6ccccc6)c6ccccc6)(=C6N(C=CN6c6c(C(C)C)cccc6C(C)C)c6c(C(C)C)cccc6C(C)C)[c]6([cH]1[cH]2[c]3(C(C)C)[cH]4[cH]56)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship
• Authors of publication: Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2744
• a: 22.892 ± 0.006 Å
• b: 12.206 ± 0.003 Å
• c: 20.32 ± 0.005 Å
• α: 90°
• β: 111.161 ± 0.004°
• γ: 90°
• Cell volume: 5295 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No