Information card for entry 4082114

Structure parameters

• Formula: C32 H41 F3 N2 O4 Os S
• Calculated formula: C32 H41 F3 N2 O4 Os S
• SMILES: [OsH]123456([cH]7[cH]1[cH]2[cH]3[cH]4[cH]57)[N](c1c(C)cccc1C)=C(C)CC(C)=[N]6c1c(C)cccc1C.O=S(=O)([O-])C(F)(F)F.O1CCCC1
• Title of publication: Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis
• Authors of publication: Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7345
• a: 11.9956 ± 0.0001 Å
• b: 11.8815 ± 0.0001 Å
• c: 21.8518 ± 0.0002 Å
• α: 90°
• β: 94.022 ± 0.001°
• γ: 90°
• Cell volume: 3106.77 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No