Information card for entry 7120590

Structure parameters

• Common name: DMOF3
• Formula: C62.49 H53.49 F6 N4.49 O12.49 S2 Zn2
• Calculated formula: C62.497 H53.497 F6 N4.497 O12.497 S2 Zn2
• 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: 13.3546 ± 0.0009 Å
• b: 14.1369 ± 0.0009 Å
• c: 19.6327 ± 0.0013 Å
• α: 84.267 ± 0.002°
• β: 77.664 ± 0.002°
• γ: 66.013 ± 0.002°
• Cell volume: 3307.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No