Information card for entry 7002338

Structure parameters

• Formula: C8 H16 Cl5 Nb O2
• Calculated formula: C8 H16 Cl5 Nb O2
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)OC.CC(C)=CC(C)=[O+]C
• Title of publication: The reactivity of 1,1-dialkoxyalkanes with niobium and tantalum pentahalides. Formation of coordination compounds, C‒H and C‒C bond activation and the X-ray structure of the stable carboxonium species [Me2CCHC(OMe)Me][NbCl5(OMe)]
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 8096 - 8106
• a: 6.552 ± 0.003 Å
• b: 8.881 ± 0.005 Å
• c: 13.589 ± 0.007 Å
• α: 85.974 ± 0.006°
• β: 89.238 ± 0.006°
• γ: 76.913 ± 0.006°
• Cell volume: 768.3 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No