Information card for entry 7127863

Structure parameters

• Formula: C390 H343.33 I2.28 N24 Ni24 O126 S24
• Calculated formula: C390 H347.32 I2.275 N24 Ni24 O126 S24
• Title of publication: Soluble imidazolium-functionalized coordination cages for efficient homogeneous catalysis of CO₂ cycloaddition reactions.
• Authors of publication: Tong, Hui-Ying; Liang, Jun; Wu, Qiu-Jin; Zou, Yu-Huang; Huang, Yuan-Biao; Cao, Rong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 17
• Pages of publication: 2140 - 2143
• a: 29.1997 ± 0.0005 Å
• b: 29.1997 ± 0.0005 Å
• c: 40.4454 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34484.7 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.3317
• Weighted residual factors for all reflections included in the refinement: 0.3583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No