Information card for entry 7236555

Structure parameters

• Formula: C12 H10 Br N O2
• Calculated formula: C12 H10 Br N O2
• Title of publication: Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity
• Authors of publication: Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 7961
• a: 15.601 ± 0.014 Å
• b: 5.347 ± 0.006 Å
• c: 17.88 ± 0.02 Å
• α: 90°
• β: 124.97 ± 0.07°
• γ: 90°
• Cell volume: 1222 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1624
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No