Information card for entry 1568380

Structure parameters

• Formula: C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8
• Calculated formula: C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 Zn8
• Title of publication: Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.
• Authors of publication: Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2237 - 2244
• a: 27.2167 ± 0.0015 Å
• b: 33.1187 ± 0.0019 Å
• c: 38.817 ± 0.002 Å
• α: 88.598 ± 0.002°
• β: 88.357 ± 0.001°
• γ: 83.075 ± 0.002°
• Cell volume: 34712 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2409
• Residual factor for significantly intense reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.3963
• Weighted residual factors for all reflections included in the refinement: 0.4502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No