Information card for entry 1558875

Structure parameters

• Formula: C44.2 H35.32 N2.6 O16.6 Zn3
• Calculated formula: C41.6 H27.92 N0.8 O16 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: 32.7998 ± 0.001 Å
• b: 9.7204 ± 0.0004 Å
• c: 18.3042 ± 0.0006 Å
• α: 90°
• β: 96.453 ± 0.003°
• γ: 90°
• Cell volume: 5798.9 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No