Information card for entry 4003644

Structure parameters

• Formula: C24 H16 Cl2.667 N12 Zn3.267
• Calculated formula: C24 H16 Cl2.66667 N12 Zn3.26667
• Title of publication: Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework
• Authors of publication: Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 6998 - 7004
• a: 10.009 ± 0.004 Å
• b: 16.663 ± 0.008 Å
• c: 14.61 ± 0.006 Å
• α: 90°
• β: 106.65 ± 0.03°
• γ: 90°
• Cell volume: 2334.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0994
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No