Information card for entry 7006053

Structure parameters

• Formula: C18 H27 F7 O6 Ta2
• Calculated formula: C18 H27 F7 O6 Ta2
• SMILES: C1(=C(C(C)=[O][Ta]23(O1)(F)([O]=C(C)C(=C(C)O2)C)[O]=C(C)C(=C(C)[O]3)C)C)C.F[Ta](F)(F)(F)(F)[F-]
• Title of publication: Reactivity of niobium(v) and tantalum(v) halides with carbonyl compounds: synthesis of simple coordination adducts, C-H bond activation, C=O protonation, and halide transfer.
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4343 - 4351
• a: 11.3387 ± 0.0015 Å
• b: 11.3387 ± 0.0015 Å
• c: 32.002 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3563.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No