Information card for entry 4088606

Structure parameters

• Formula: C32 H24 Br Sb
• Calculated formula: C32 H24 Br Sb
• SMILES: [Sb](Br)(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2ccccc12
• 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: 10.568 ± 0.002 Å
• b: 17.691 ± 0.003 Å
• c: 13.565 ± 0.003 Å
• α: 90°
• β: 101.529 ± 0.002°
• γ: 90°
• Cell volume: 2484.9 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No