Information card for entry 7229193

Structure parameters

• Formula: C40 H29 N5 O9 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: 21.9269 ± 0.001 Å
• b: 23.8222 ± 0.0011 Å
• c: 8.202 ± 0.0002 Å
• α: 90°
• β: 96.821 ± 0.003°
• γ: 90°
• Cell volume: 4254 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No