Information card for entry 7237448

Structure parameters

• Formula: C40 H21 N O16 Zr3
• Calculated formula: C40 H21 N O16 Zr3
• Title of publication: Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH
• Authors of publication: Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 39
• Pages of publication: 10628
• a: 17.723 ± 0.005 Å
• b: 32.705 ± 0.003 Å
• c: 34.67 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20096 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.2695
• Residual factor for significantly intense reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No