Information card for entry 7721101

Structure parameters

• Chemical name: cage
• Formula: C348.5 H478.5 Cl8 Fe4 N69.5 O81.5
• Calculated formula: C216 H156 Cl4 Fe4 N52 O28
• Title of publication: A Dye-loaded Fe4L4 Cage for Efficient Photocatalytic C(sp3)-H Activation
• Authors of publication: Zhang, Junhao; Shi, Youpeng; Wu, Yuchen; Yang, Fengyu; Jing, Xu; Duan, Chunying
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 61.956 ± 0.003 Å
• b: 43.506 ± 0.002 Å
• c: 46.899 ± 0.004 Å
• α: 90°
• β: 125.466 ± 0.0013°
• γ: 90°
• Cell volume: 102960 ± 11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.164
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No