Information card for entry 4510450

Structure parameters

• Formula: C24.6 H23.4 N3.2 O6.2 Zn
• Calculated formula: C21 H15 N2 O5 Zn
• Title of publication: Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis
• Authors of publication: Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2092
• a: 26.808 ± 0.0014 Å
• b: 8.1923 ± 0.0005 Å
• c: 23.3025 ± 0.0016 Å
• α: 90°
• β: 98.956 ± 0.007°
• γ: 90°
• Cell volume: 5055.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1091
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No