Information card for entry 4082112

Structure parameters

• Formula: C29 H32 Cl3 F3 N2 O3 Os S
• Calculated formula: C29 H32 Cl3 F3 N2 O3 Os S
• SMILES: c1(c(cccc1C)C)N1C(=CC(C)=[N](c2c(cccc2C)C)[Os]234561[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61)C.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl
• 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: 11.6662 ± 0.0011 Å
• b: 12.3634 ± 0.0016 Å
• c: 12.766 ± 0.0011 Å
• α: 111.661 ± 0.008°
• β: 96.007 ± 0.007°
• γ: 105.374 ± 0.009°
• Cell volume: 1607.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No