Information card for entry 7130754

Structure parameters

• Formula: C82.98 H48.94 Cd6 F1.96 N24
• Calculated formula: C82.972 H48.916 Cd6 F1.944 N24
• Title of publication: Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility
• Authors of publication: Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.201 ± 0.0013 Å
• b: 23.0159 ± 0.0019 Å
• c: 16.2213 ± 0.0016 Å
• α: 90°
• β: 113.343 ± 0.01°
• γ: 90°
• Cell volume: 5553.5 ± 0.9 ų
• Cell temperature: 99.99 ± 0.18 K
• Ambient diffraction temperature: 99.99 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.3979
• Weighted residual factors for all reflections included in the refinement: 0.4508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No