Information card for entry 4003319

Structure parameters

• Formula: C27 H21 Br Cd Cl N3 O10
• Calculated formula: C27 H21 Br Cd Cl N3 O10
• Title of publication: Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets
• Authors of publication: An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 7825
• a: 28.9782 ± 0.001 Å
• b: 17.9781 ± 0.001 Å
• c: 12.4794 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6501.4 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No