Information card for entry 7029946

Structure parameters

• Formula: C48 H40 F2 O8 Ta2
• Calculated formula: C48 H40 F2 O8 Ta2
• SMILES: c1(ccccc1)[O]1[Ta](Oc2ccccc2)(F)([O](c2ccccc2)[Ta]1(F)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Convenient synthesis of fluoride-alkoxides of Nb(V) and Ta(V): a spectroscopic, crystallographic and computational study.
• Authors of publication: Bortoluzzi, Marco; Guazzelli, Nicola; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12898 - 12906
• a: 9.94 ± 0.004 Å
• b: 10.003 ± 0.004 Å
• c: 12.384 ± 0.005 Å
• α: 68.033 ± 0.004°
• β: 86.135 ± 0.004°
• γ: 68.477 ± 0.004°
• Cell volume: 1058.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No