Information card for entry 7103277

Structure parameters

• Common name: trichloro(1,2dimethoxyethane)oxoniobium(V)
• Formula: C4 H10 Cl3 Nb O3
• Calculated formula: C4 H10 Cl3 Nb O3
• SMILES: C[O]1CC[O](C)[Nb]1(Cl)(Cl)(Cl)=O
• Title of publication: From 1,2-dialkoxyalkanes to 1,4-dioxanes. A transformation mediated by NbCl(5)via multiple C-O bond cleavage at room temperature.
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 3651 - 3653
• a: 7.327 ± 0.0007 Å
• b: 11.9741 ± 0.0011 Å
• c: 23.187 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No