Information card for entry 7027718

Structure parameters

• Formula: C18 H2 B F15 O
• Calculated formula: C18 H2 B F15 O
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([OH2])(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Oxidation of [M(η-C5H5)2], M = Cr, Fe or Co, by the new Brønsted acid H2O·B(C6F5)3 yielding the salts [M(η-C5H5)2]+A−, where A− = [(C6F5)3B(μ-OH)B(C6F5)3]− or [(C6F5)3BOH · · · H2OB(C6F5)3]− †
• Authors of publication: Doerrer, Linda H.; Green, Malcolm L. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4325
• a: 10.866 ± 0.0005 Å
• b: 11.514 ± 0.0003 Å
• c: 14.591 ± 0.0007 Å
• α: 90°
• β: 98.092 ± 0.002°
• γ: 90°
• Cell volume: 1807.32 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1206
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No