Information card for entry 7002649

Structure parameters

• Formula: C32.24 H36.71 B F N1.76 O0.24
• Calculated formula: C32.209 H36.627 B F N1.791 O0.209
• Title of publication: Colorimetric turn-on sensing of fluoride ions in H2O/CHCl3 mixtures by pyridinium boranes
• Authors of publication: Wade, Casey R.; Gabbaï, François P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9169
• a: 13.924 ± 0.003 Å
• b: 12.52 ± 0.003 Å
• c: 15.974 ± 0.004 Å
• α: 90°
• β: 101.333 ± 0.003°
• γ: 90°
• Cell volume: 2730.4 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No