Information card for entry 7120589

Structure parameters

• Common name: DMOF1
• Formula: C42.5 H31.5 F6 N2.5 O4.5 S2 Zn
• Calculated formula: C42.5 H31.5 F6 N2.5 O4.5 S2 Zn
• Title of publication: Reversible structural switching of a metal-organic framework by photoirradiation
• Authors of publication: Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.5196 ± 0.0006 Å
• b: 23.2929 ± 0.0019 Å
• c: 29.563 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5178.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No