Information card for entry 4305288

Structure parameters

• Formula: C48 H62 B2 O4
• Calculated formula: C48 H62 B2 O4
• Title of publication: Fluorescent Boron Bis(phenolate) with Association Response to Chloride and Dissociation Response to Fluoride
• Authors of publication: Ewan Galbraith; Thomas M. Fyles; Frank Marken; Matthew G. Davidson; Tony D. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6236 - 6244
• a: 26.771 ± 0.0006 Å
• b: 8.61 ± 0.0002 Å
• c: 18.613 ± 0.0005 Å
• α: 90°
• β: 95.412 ± 0.001°
• γ: 90°
• Cell volume: 4271.14 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No