Information card for entry 1568928

Structure parameters

• Formula: C94 H100 Al8 N24 O38
• Calculated formula: C94 H108 Al8 N24 O36
• Title of publication: Accurate binding of porous aluminum molecular ring catalysts with the substrate.
• Authors of publication: Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5396 - 5404
• a: 36.6848 ± 0.0004 Å
• b: 36.6848 ± 0.0004 Å
• c: 36.6848 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 49369.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No