Information card for entry 7120593

Structure parameters

• Common name: DMOF3_apohost'
• Formula: C55 H35 F6 N2 O10 S2 Zn2
• Calculated formula: C55 H35 F6 N2 O10 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: 13.426 ± 0.003 Å
• b: 13.645 ± 0.003 Å
• c: 17.046 ± 0.004 Å
• α: 90.202 ± 0.003°
• β: 91.831 ± 0.003°
• γ: 114.465 ± 0.003°
• Cell volume: 2840.5 ± 1.1 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: 0.1292
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No