Information card for entry 7120591

Structure parameters

• Common name: iDMOF3_apohost
• Formula: C55 H36 F6 N2 O10 S2 Zn2
• Calculated formula: C55 H36 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: 12.26 ± 0.014 Å
• b: 13.257 ± 0.015 Å
• c: 17.62 ± 0.02 Å
• α: 78.598 ± 0.012°
• β: 89.23 ± 0.013°
• γ: 67.499 ± 0.011°
• Cell volume: 2587 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2863
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.2831
• Weighted residual factors for all reflections included in the refinement: 0.3488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No