Information card for entry 7063820

Structure parameters

• Formula: C40 H34 Cl2 N10 O10 S2 Zn
• Calculated formula: C40 H34 Cl2 N10 O10 S2 Zn
• Title of publication: Unraveling AIE in zinc(ii) coordination complexes: role of ligand structure and mechanistic insights
• Authors of publication: Oleksii, Y.; Cheret, Y.; Allain, M.; Brosseau, A.; Haacke, S.; El-Ghayoury, A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 10089 - 10101
• a: 18.4902 ± 0.0011 Å
• b: 8.0542 ± 0.0003 Å
• c: 28.4759 ± 0.0012 Å
• α: 90°
• β: 90.379 ± 0.005°
• γ: 90°
• Cell volume: 4240.6 ± 0.3 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No