Information card for entry 7056930

Structure parameters

• Formula: C90 H64 Cd4 N12 O18
• Calculated formula: C90 H64 Cd4 N12 O18
• Title of publication: Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole
• Authors of publication: Wang, Jun-Jie; Zhang, Ren-Chun; Cao, Ya-Li; Li, Yan-Ang; Wang, Yi-Ran; Wang, Qing-Lun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3551
• a: 17.0707 ± 0.0002 Å
• b: 20.2756 ± 0.0003 Å
• c: 20.5249 ± 0.0003 Å
• α: 91.6837 ± 0.0014°
• β: 107.867 ± 0.0013°
• γ: 94.2364 ± 0.0012°
• Cell volume: 6732.81 ± 0.17 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: 0.0662
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No