Information card for entry 7044212

Structure parameters

• Chemical name: cpd 1
• Formula: C112 H148 N20 O36 Zn4
• Calculated formula: C112 H143.251 N20 O36.02 Zn4
• Title of publication: Gate-Opening upon CO2 Adsorption on a Metal-Organic Framework That Mimics a Natural Stimuli-Response System
• Authors of publication: Tseng, Tien-Wen; Lee, Li-Wei; Luo, Tzuoo-Tsair; Chien, Po-Hsiu; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Kuang-Lieh, Lu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.9112 ± 0.0016 Å
• b: 22.934 ± 0.005 Å
• c: 17.831 ± 0.004 Å
• α: 90°
• β: 97.773 ± 0.003°
• γ: 90°
• Cell volume: 3205.4 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No