Information card for entry 7243027

Structure parameters

• Formula: C44 H38 N40 O25 Zn8
• Calculated formula: C5.5 H4.5 N5 O3.125 Zn
• Title of publication: Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−
• Authors of publication: Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 28
• Pages of publication: 4923 - 4929
• a: 27.5455 ± 0.0002 Å
• b: 27.5455 ± 0.0002 Å
• c: 27.5455 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20900.3 ± 0.3 ų
• Cell temperature: 243.01 ± 0.1 K
• Ambient diffraction temperature: 243.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.303
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No