Information card for entry 4060764

Structure parameters

• Formula: C39 H24 B2 F24 O3
• Calculated formula: C39 H24 B2 F24 O3
• SMILES: [OH+](CC)CC.O(CC)CC.Fc1c2c(c(F)c(F)c1F)[B]([O](C)[B]2(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Anion Stability in Stannylium, Oxonium, and Silylium Salts of the Weakly Coordinating Anion [C~6~F~4~-1,2-{B(C6F5)2}2(μ-OCH3)]^-^
• Authors of publication: Lee D. Henderson; Warren E. Piers; Geoffry J. Irvine; Robert McDonald
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 340 - 345
• a: 11.8694 ± 0.0017 Å
• b: 12.8153 ± 0.0018 Å
• c: 13.527 ± 0.002 Å
• α: 76.633 ± 0.003°
• β: 82.751 ± 0.003°
• γ: 78.299 ± 0.003°
• Cell volume: 1953.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No