Information card for entry 4076423

Structure parameters

• Formula: C31 H38 F3 N2 O7 S Ta
• Calculated formula: C31 H38 F3 N2 O7 S Ta
• SMILES: [Ta]1234567(C(=[N]1C(C)(C)C)C)([N](c1c(C(=O)O2)cccc1)=Cc1ccccc1O3)([OH2])[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.C(S(=O)(=O)[O-])(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: 9.752 ± 0.005 Å
• b: 12.598 ± 0.006 Å
• c: 16.062 ± 0.008 Å
• α: 71.264 ± 0.01°
• β: 82.311 ± 0.012°
• γ: 69.52 ± 0.011°
• Cell volume: 1750.1 ± 1.5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No