Information card for entry 1558878

Structure parameters

• Formula: C36 H34 N4 O14 Zn2
• Calculated formula: C36 H34 N4 O14 Zn2
• 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: 9.6981 ± 0.0002 Å
• b: 16.1078 ± 0.0005 Å
• c: 11.5458 ± 0.0004 Å
• α: 90°
• β: 90.923 ± 0.003°
• γ: 90°
• Cell volume: 1803.39 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No