Information card for entry 2007845

Structure parameters

• Chemical name: Tris(pentafluoro)phenylborane-water
• Formula: C23 H12 B Cl2 F15 O3
• Calculated formula: C23 H12 B Cl2 F15 O3
• Title of publication: A Water Adduct of Tris(pentafluorophenyl)borane: (C~6~F~5~)~3~B(OH~2~)‒Dioxane‒CH~2~Cl~2~ (1/1/1)
• Authors of publication: Janiak, Christoph; Braun, Lothar; Scharmann, Tobias G.; Girgsdies, Frank
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1722 - 1724
• a: 17.036 ± 0.006 Å
• b: 16.501 ± 0.004 Å
• c: 19.517 ± 0.005 Å
• α: 90°
• β: 104.62 ± 0.02°
• γ: 90°
• Cell volume: 5309 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No