Information card for entry 4067426

Structure parameters

• Formula: C40.25 H54.5 Cl0.5 F6 N6 O6 Os S2
• Calculated formula: C40.25 H54.5 Cl0.5 F6 N6 O6 Os S2
• SMILES: [Os]1([N]#CC)([N]#CC)([N]#CC)(=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)([CH2]=[CH]1C)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].ClCCl
• Title of publication: Dicationic Alkylidene−, Olefin−, and Alkoxyalkenylcarbene−Osmium Complexes Stabilized by a NHC Ligand
• Authors of publication: Buil, María L.; Castarlenas, Ricardo; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 876
• a: 12.717 ± 0.004 Å
• b: 18.141 ± 0.005 Å
• c: 21.711 ± 0.006 Å
• α: 90°
• β: 104.355 ± 0.005°
• γ: 90°
• Cell volume: 4852 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No