Information card for entry 7027208

Structure parameters

• Formula: C28 H23 B Cl2 F15 N3 O3 W
• Calculated formula: C28 H23 B Cl2 F15 N3 O3 W
• SMILES: [W]12(O[B](c3c(F)c(F)c(F)c(c3F)F)(c3c(F)c(F)c(F)c(c3F)F)c3c(F)c(F)c(c(c3F)F)F)(=O)(=O)[N]3(C)CC[N]1(CC[N]2(CC3)C)C.ClCCl
• Title of publication: Adducts of the Lewis acid [B(C6F5)3] with transition metal oxo compounds
• Authors of publication: Barrado, Georgina; Doerrer, Linda; Green, Malcolm L. H.; Leech, Michael A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1061
• a: 13.289 ± 0.001 Å
• b: 14.028 ± 0.001 Å
• c: 18.27 ± 0.001 Å
• α: 90°
• β: 110.256 ± 0.003°
• γ: 90°
• Cell volume: 3195.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.022
• Goodness-of-fit parameter for significantly intense reflections: 1.0705
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No