Information card for entry 4126028

Structure parameters

• Chemical name: HfBTE-3D-MOF-I
• Formula: C66 H0 Hf3 O18
• Calculated formula: C66 Hf3 O18
• Title of publication: Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.
• Authors of publication: Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 7020 - 7029
• a: 33.087 ± 0.003 Å
• b: 33.087 ± 0.003 Å
• c: 21.564 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23607 ± 4 ų
• Cell temperature: 77 K
• Ambient diffraction temperature: 77 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No