Information card for entry 7708156

Structure parameters

• Formula: C34 H35 N5 O9 Zn
• Calculated formula: C34 H35 N5 O9 Zn
• Title of publication: An electron-deficient naphthalene diimide-based metal-organic framework for detecting electron-rich molecules through photo-/chemo-induced chromism
• Authors of publication: Gao, Bohong; Hao, Pengfei; Li, Gao-Peng; Shen, Junju; Fu, Yunlong
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.4323 ± 0.0013 Å
• b: 19.699 ± 0.003 Å
• c: 17.15 ± 0.002 Å
• α: 90°
• β: 101.046 ± 0.003°
• γ: 90°
• Cell volume: 3459.1 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No