Information card for entry 7128551

Structure parameters

• Formula: C123 H151 Cu12 N17 O69
• Calculated formula: C108 H115.999 Cu12 N12 O63.9996
• Title of publication: A porous supramolecular ionic solid.
• Authors of publication: Jackson, Nathan; Vazquez, Irma Rocio; Chen, Ying-Pin; Chen, Yu-Sheng; Gao, Wen-Yang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7248 - 7251
• a: 20.746 ± 0.003 Å
• b: 20.746 ± 0.003 Å
• c: 20.746 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8929 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No