Information card for entry 4088607

Structure parameters

• Formula: C35 H28 F O Sb
• Calculated formula: C35 H28 F O Sb
• SMILES: [Sb](F)(c1ccc2ccc3cccc4ccc1c2c34)(c1ccccc1)(c1ccccc1)c1ccccc1.OC
• Title of publication: 1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations
• Authors of publication: Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1854
• a: 19.8623 ± 0.0015 Å
• b: 8.0961 ± 0.0006 Å
• c: 17.4657 ± 0.0013 Å
• α: 90°
• β: 108.312 ± 0.001°
• γ: 90°
• Cell volume: 2666.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No