Information card for entry 7101776

Structure parameters

• Formula: C38 H40 B Cl3 F P
• Calculated formula: C38 H40 B Cl3 F P
• SMILES: [B]([F-])(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1ccc([P+](c2ccccc2)(c2ccccc2)C)cc1.C(Cl)(Cl)Cl
• Title of publication: Fluoride ion complexation by a cationic borane in aqueous solution.
• Authors of publication: Lee, Min Hyung; Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1133 - 1135
• a: 12.2069 ± 0.0011 Å
• b: 12.6236 ± 0.0012 Å
• c: 13.1483 ± 0.0012 Å
• α: 71.916 ± 0.002°
• β: 76.183 ± 0.002°
• γ: 62.797 ± 0.002°
• Cell volume: 1701.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No