Information card for entry 4516296

Structure parameters

• Formula: C26 H12 F8 I4
• Calculated formula: C26 H12 F8 I4
• Title of publication: Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals
• Authors of publication: d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 2039
• a: 22.549 ± 0.005 Å
• b: 14.166 ± 0.005 Å
• c: 8.65 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.442 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2762 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1517
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1381
• 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