Information card for entry 7004679

Structure parameters

• Formula: C4 H10 Cl8 Nb2 O3
• Calculated formula: C4 H10 Cl8 Nb2 O3
• SMILES: [Nb]1(Cl)(Cl)(Cl)(O[Nb](Cl)(Cl)(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: 7.0287 ± 0.0005 Å
• b: 13.5297 ± 0.0009 Å
• c: 17.5555 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No