Information card for entry 7116495

Structure parameters

• Formula: C54 H32 O8 Zn2
• Calculated formula: C54 H32 O8 Zn2
• Title of publication: Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework
• Authors of publication: Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3045
• a: 36.929 ± 0.005 Å
• b: 31.08 ± 0.004 Å
• c: 11.8533 ± 0.0017 Å
• α: 90°
• β: 99.228 ± 0.002°
• γ: 90°
• Cell volume: 13429 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2803
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No