Information card for entry 7048450

Structure parameters

• Formula: C31 H23 N6 O4.5 Zn
• Calculated formula: C31 H22 N6 O4.5 Zn
• Title of publication: Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.
• Authors of publication: Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1900 - 1905
• a: 26.9949 ± 0.0019 Å
• b: 10.8305 ± 0.0007 Å
• c: 21.8868 ± 0.0013 Å
• α: 90°
• β: 91.725 ± 0.001°
• γ: 90°
• Cell volume: 6396.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No