Information card for entry 7224410

Structure parameters

• Formula: C30 H18 Cd3 N2 O18
• Calculated formula: C30 H18 Cd3 N2 O18
• Title of publication: An electron-transfer photochromic metal‒organic framework (MOF) compound with long-lived charge-separated state and high-contrast photoswitchable luminescence
• Authors of publication: Xing, Xiu-Shuang; Chen, Zi-Wei; Cai, Li-Zhen; Sun, Cai; Cai, Lin-Rong; Wang, Ming-Sheng; Guo, Guo-Cong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.7803 ± 0.0012 Å
• b: 7.9154 ± 0.0008 Å
• c: 17.299 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2845.4 ± 0.5 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No