Information card for entry 7242045

Structure parameters

• Formula: C20 H17.5 N3 O5.5 Zn
• Calculated formula: C20 H16.5 N3 O5.5 Zn
• Title of publication: Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone
• Authors of publication: Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1604 - 1615
• a: 8.8439 ± 0.0001 Å
• b: 10.2104 ± 0.0002 Å
• c: 10.7211 ± 0.0002 Å
• α: 99.388 ± 0.002°
• β: 96.184 ± 0.001°
• γ: 101.935 ± 0.001°
• Cell volume: 924.41 ± 0.03 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: 0.0456
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No