Information card for entry 1558814

Structure parameters

• Common name: A2L3Cd2
• Formula: C109 H111 Cd2 F12 N17 O12 S10
• Calculated formula: C109 H111 Cd2 F12 N17 O12 S10
• Title of publication: Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages
• Authors of publication: Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.5418 ± 0.0001 Å
• b: 13.5418 ± 0.0001 Å
• c: 66.0707 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12116.1 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No