Information card for entry 7134651

Structure parameters

• Formula: C20 H20 Cl In N2 O4
• Calculated formula: C20 H20 Cl In N2 O4
• Title of publication: Aggregation-induced emission-active indium complex as fluorescent turn-off chemosensor for perfluoroalkyl substances
• Authors of publication: Baumeyer, Oliver; Wu, Andrew; Pandya, Aastha; Nelson, Peter; Hillesheim, Patrick C.; Zeller, Matthias; Carignan, Gia M.; Li, Jing; Ki, Daniel W.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 55
• Pages of publication: 10170 - 10173
• a: 13.5529 ± 0.0005 Å
• b: 7.6912 ± 0.0003 Å
• c: 19.3672 ± 0.0008 Å
• α: 90°
• β: 106.088 ± 0.002°
• γ: 90°
• Cell volume: 1939.74 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No