Information card for entry 4314493

Structure parameters

• Formula: C8 H20 F10 Nb2 O4
• Calculated formula: C8 H20 F10 Nb2 O4
• SMILES: [Nb](F)(F)(F)(F)(F)[F-].[Nb]12(F)(F)(F)(F)([O](C)CC[O]1C)[O](C)CC[O]2C
• Title of publication: Structures and Unusual Rearrangements of Coordination Adducts of MX5 (M = Nb, Ta; X = F, Cl) with Simple Diethers. A Crystallographic, Spectroscopic, and Computational Study
• Authors of publication: Riccardo Bini; Cinzia Chiappe; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 339 - 351
• a: 12.569 ± 0.007 Å
• b: 12.764 ± 0.007 Å
• c: 12.731 ± 0.007 Å
• α: 90°
• β: 118.753 ± 0.007°
• γ: 90°
• Cell volume: 1790.6 ± 1.7 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: 0.1388
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.3291
• Weighted residual factors for all reflections included in the refinement: 0.3622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No