Information card for entry 1558877

Structure parameters

• Formula: C212 H260 N20 O76 Zn8
• Calculated formula: C212 H220 N20 O56 Zn8
• Title of publication: Inclusion of viologen cations leads to switchable metal-organic frameworks.
• Authors of publication: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 225
• Pages of publication: 414 - 430
• a: 36.4926 ± 0.0013 Å
• b: 14.6058 ± 0.0004 Å
• c: 45.4204 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24209.2 ± 1.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No