Information card for entry 7229199

Structure parameters

• Formula: C96 H84 N20 O20 Zn4
• Calculated formula: C96 H84 N20 O20 Zn4
• 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: 16.552 ± 0.0002 Å
• b: 18.864 ± 0.0002 Å
• c: 29.433 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9190.07 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No