Information card for entry 7237445

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: 22.249 ± 0.0006 Å
• b: 31.0425 ± 0.0008 Å
• c: 33.0217 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22806.9 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1044
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No