Information card for entry 4073146

Structure parameters

• Formula: C19 H27 F3 N O6 S Ta
• Calculated formula: C19 H27 F3 N O6 S Ta
• SMILES: [Ta]123456(OCc7[n]2c(ccc7)CO1)([OH2])(C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Water-Soluble Organometallic Complexes of Tantalum: Can Alkyl and Aqua Ligands Coexist in Its Coordination Sphere?
• Authors of publication: Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1568
• a: 18.113 ± 0.0005 Å
• b: 31.033 ± 0.0009 Å
• c: 8.745 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4915.6 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No