Information card for entry 7122808

Structure parameters

• Formula: C56 H42 Gd3 N8 O39
• Calculated formula: C56 H41.9994 Gd3 N8 O39
• Title of publication: High proton conduction in an excellent water-stable gadolinium metal-organic framework.
• Authors of publication: Xing, Xiu-Shuang; Fu, Zhi-Hua; Zhang, Ning-Ning; Yu, Xiao-Qing; Wang, Ming-Sheng; Guo, Guo-Cong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• a: 24.964 ± 0.0003 Å
• b: 24.964 ± 0.0003 Å
• c: 24.964 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15557.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No