Information card for entry 4076422

Structure parameters

• Formula: C26 H27 F3 N O6 S Ta
• Calculated formula: C26 H27 F3 N O6 S Ta
• SMILES: [Ta]123456([N](c7c(cccc7)C(=O)O1)=Cc1c(O2)cccc1)([c]1([c]5([c]4([c]3([c]61C)C)C)C)C)(C)OS(=O)(=O)C(F)(F)F
• Title of publication: Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity
• Authors of publication: Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1849
• a: 20.483 ± 0.004 Å
• b: 14.542 ± 0.002 Å
• c: 18.93 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5639 ± 2 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No