Information card for entry 7229195

Structure parameters

• Formula: C49 H50 N8 O12 Zn2
• Calculated formula: C37 H22 N4 O8 Zn2
• Title of publication: The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks
• Authors of publication: Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 21.757 ± 0.0004 Å
• b: 21.757 ± 0.0004 Å
• c: 34.6535 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16403.8 ± 0.7 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3989
• Weighted residual factors for all reflections included in the refinement: 0.4342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.704
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No