Information card for entry 7129346

Structure parameters

• Formula: C16 H11 F2 Fe0.33 N2.17 O2 S0.67
• Calculated formula: C16 H11 F1.9999 Fe0.333333 N2.16667 O1.9999 S0.666633
• Title of publication: Dye-loaded metal-organic helical capsules applied to the combination of photocatalytic H2S splitting and nitroaromatic hydrogenation
• Authors of publication: Yang, Yang; Li, Hanning; Jing, Xu; Wu, Yuchen; Shi, Youpeng; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.407 ± 0.003 Å
• b: 10.407 ± 0.003 Å
• c: 48.843 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4581 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.2597
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.281
• Weighted residual factors for all reflections included in the refinement: 0.3444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No