Information card for entry 7048449

Structure parameters

• Formula: C60 H48 N12 O9 Zn2
• Calculated formula: C62 H46 N12 O9 Zn2
• 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: 26.882 ± 0.003 Å
• b: 10.8337 ± 0.0013 Å
• c: 21.914 ± 0.003 Å
• α: 90°
• β: 91.584 ± 0.002°
• γ: 90°
• Cell volume: 6379.6 ± 1.4 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: 0.0451
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.626
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No