Information card for entry 7720741

Structure parameters

• Formula: C38 H27 Cr F9 N7.5 O9.5 S3
• Calculated formula: C38 H27 Cr F9 N7.5 O9.5 S3
• Title of publication: The Role of Exciplex Charge-Transfer Character and Reorganization Energy in Steering Oxygen Quenching Pathways of Chromium(III) Excited States
• Authors of publication: Amer, Aya S.; Abdel-Shafi, Ayman; Alazaly, Ahmed M. M.; El-Jemni, Mahmoud A.; Hassan, Hamdy Hassanien; Abdel-Samad, Hesham Samir
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.3231 ± 0.00008 Å
• b: 13.17947 ± 0.00011 Å
• c: 19.03913 ± 0.00012 Å
• α: 104.394 ± 0.0006°
• β: 93.7452 ± 0.0006°
• γ: 113.006 ± 0.0008°
• Cell volume: 2270.79 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No