Information card for entry 7127207

Structure parameters

• Common name: WUF-52
• Formula: C51 H33 N3 O13 Zn4
• Calculated formula: C51 H33 N2.5 O13 Zn4
• Title of publication: Second-order programming the synthesis of metal-organic frameworks.
• Authors of publication: Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12355 - 12358
• a: 17.2 ± 0.0012 Å
• b: 17.2 ± 0.0012 Å
• c: 17.2 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5088.4 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No