Information card for entry 1576211

Structure parameters

• Formula: C28 H24 Br N9
• Calculated formula: C28 H24 Br N9
• Title of publication: Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.
• Authors of publication: Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 26845 - 26854
• a: 17.31 ± 0.002 Å
• b: 17.31 ± 0.002 Å
• c: 15.538 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4032 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No