Information card for entry 7004680

Structure parameters

• Formula: C4 H10 Cl8 O3 Ta2
• Calculated formula: C4 H10 Cl8 O3 Ta2
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)O[Ta]1(Cl)(Cl)(Cl)[O](C)CC[O]1C
• Title of publication: Unusual room temperature activation of 1,2-dialkoxyalkanes by niobium and tantalum pentachlorides
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 7026 - 7035
• a: 6.6388 ± 0.0003 Å
• b: 26.0083 ± 0.0013 Å
• c: 9.9726 ± 0.0005 Å
• α: 90°
• β: 103.116 ± 0.001°
• γ: 90°
• Cell volume: 1676.99 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No