Information card for entry 7038807

Structure parameters

• Formula: C19 H21 F6 N2 Ta
• Calculated formula: C19 H21 F6 N2 Ta
• SMILES: c1n(c2c(cccc2C)C)cc[n+]1c1c(cccc1C)C.F[Ta](F)(F)(F)(F)[F-]
• Title of publication: Coordination complexes of niobium and tantalum pentahalides with a bulky NHC ligand.
• Authors of publication: Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6939 - 6948
• a: 11.105 ± 0.002 Å
• b: 16.481 ± 0.003 Å
• c: 10.701 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1958.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No