Information card for entry 7236674

Structure parameters

• Formula: C27 H8 N1.8 O28 S4 Zr3
• Calculated formula: C27 H8 N1.8 O28 S4 Zr3
• Title of publication: Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy
• Authors of publication: Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1816
• a: 17.526 ± 0.003 Å
• b: 17.526 ± 0.003 Å
• c: 22.893 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7031.8 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No