Information card for entry 7229409

Structure parameters

• Formula: C22.5 H20.5 N5.5 O6.5 Zn
• Calculated formula: C21 H13 N5 O4 Zn
• Title of publication: Highly sensitive and selective fluorescent probe for Fe3+ and hazardous phenol compounds based on a water-stable Zn-based metal‒organic framework in aqueous media
• Authors of publication: Li, Huijun; He, Yaling; Li, Qingqing; Li, Shaojie; Yi, Zhihao; Xu, Zhouqing; Wang, Yuan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 79
• Pages of publication: 50035
• a: 12.208 ± 0.003 Å
• b: 13.002 ± 0.003 Å
• c: 16.101 ± 0.004 Å
• α: 90°
• β: 104.197 ± 0.004°
• γ: 90°
• Cell volume: 2477.6 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No