Information card for entry 7130753

Structure parameters

• Formula: C42.59 H30 Cd3 F1.18 N12
• Calculated formula: C42.588 H30 Cd3 F1.176 N12
• 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: 16.0043 ± 0.0013 Å
• b: 23.0932 ± 0.0017 Å
• c: 16.3664 ± 0.0017 Å
• α: 90°
• β: 112.481 ± 0.011°
• γ: 90°
• Cell volume: 5589.2 ± 1 ų
• Cell temperature: 99.98 ± 0.15 K
• Ambient diffraction temperature: 99.98 ± 0.15 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: 0.1418
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.3121
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No