Information card for entry 7235790

Structure parameters

• Formula: C27.5 H25.5 N3.5 O6.5 Zn
• Calculated formula: C27.5 H25.5 N3.5 O6.5 Zn
• Title of publication: Mechanosynthesis of new azine-functionalized Zn(ii) metal‒organic frameworks for improved catalytic performance
• Authors of publication: Masoomi, Mohammad Yaser; Beheshti, Saeideh; Morsali, Ali
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 40
• Pages of publication: 16863
• a: 14.9 ± 0.004 Å
• b: 24.324 ± 0.006 Å
• c: 16.253 ± 0.006 Å
• α: 90°
• β: 113.233 ± 0.004°
• γ: 90°
• Cell volume: 5413 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No