Information card for entry 4305286

Structure parameters

• Formula: C41 H56 B2 O5
• Calculated formula: C41 H56 B2 O5
• 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: 19.159 ± 0.0003 Å
• b: 21.404 ± 0.0003 Å
• c: 19.128 ± 0.0006 Å
• α: 90 ± 0.001°
• β: 90.674 ± 0.001°
• γ: 90 ± 0.002°
• Cell volume: 7843.5 ± 0.3 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: 0.1187
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No