Information card for entry 4070191

Structure parameters

• Formula: C24 H34 F3 N2 O9 S Ta
• Calculated formula: C24 H34 F3 N2 O9 S Ta
• SMILES: C1(=O)c2cccc3C(O[Ta]45678(C(C)=[N]8C(C)(C)C)([c]8([c]7([c]6([c]5([c]48C)C)C)C)C)(O1)([OH2])[n]23)=O.C(F)(F)(F)S(=O)(=O)[O-].O
• Title of publication: Synthesis and Reactivity of Tantalum Complexes Supported by the Pincer Ligand 2,6-Pyridinedicarboxylate. Preparation of an Unprecedented Water-Soluble Iminoacyl Complex
• Authors of publication: Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5505
• a: 12.9861 ± 0.0011 Å
• b: 8.9104 ± 0.0008 Å
• c: 24.942 ± 0.002 Å
• α: 90°
• β: 90.049 ± 0.001°
• γ: 90°
• Cell volume: 2886.1 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No