Information card for entry 7223175

Structure parameters

• Formula: C68 H56 N4 O14 Zn2
• Calculated formula: C68 H56 N4 O14 Zn2
• Title of publication: A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water
• Authors of publication: Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9404
• a: 12.843 ± 0.0006 Å
• b: 14.7287 ± 0.0005 Å
• c: 15.9263 ± 0.0004 Å
• α: 90.59 ± 0.002°
• β: 103.901 ± 0.003°
• γ: 90.697 ± 0.003°
• Cell volume: 2923.91 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No