Information card for entry 7119326

Structure parameters

• Formula: C53 H32 F6 N6 O8 S2 Zn2
• Calculated formula: C53 H32 F6 N6 O8 S2 Zn2
• Title of publication: Photoswitching adsorption selectivity in a diarylethene-azobenzene MOF.
• Authors of publication: Fan, Cong Bin; Liu, Zhi Qiang; Gong, Le Le; Zheng, An Min; Zhang, Le; Yan, Chang Sheng; Wu, Hui Qiong; Feng, Xue Feng; Luo, Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 763 - 766
• a: 22.4106 ± 0.0009 Å
• b: 23.6354 ± 0.0009 Å
• c: 15.2117 ± 0.0006 Å
• α: 90°
• β: 126.403 ± 0.002°
• γ: 90°
• Cell volume: 6485.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No