Information card for entry 1572825

Structure parameters

• Chemical name: TC-MOF
• Formula: C65 H49 Er3 N2 O21
• Calculated formula: C65 H49 Er3 N1.5 O21
• Title of publication: A tetraphenylborate-based anionic metal–organic framework as a versatile solid electrolyte for fast Li+, Na+, K+, Mg2+, Ca2+, and Zn2+ transportation
• Authors of publication: Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 32.1662 ± 0.0007 Å
• b: 24.9817 ± 0.0004 Å
• c: 13.4105 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10776.2 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No