Information card for entry 1558876

Structure parameters

• Formula: C49.2 H46.78 N3.4 O18.7 Zn3
• Calculated formula: C48.8 H42 N3.2 O18.1 Zn3
• 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: 32.6406 ± 0.0006 Å
• b: 9.63384 ± 0.00016 Å
• c: 18.4404 ± 0.0004 Å
• α: 90°
• β: 102.534 ± 0.002°
• γ: 90°
• Cell volume: 5660.47 ± 0.19 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No