Information card for entry 7120594

Structure parameters

• Common name: iDMOF1_apohost
• Formula: C41 H28 F6 N2 O4 S2 Zn
• Calculated formula: C41 H28 F6 N2 O4 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: 7.6358 ± 0.0001 Å
• b: 23.65 ± 0.0002 Å
• c: 29.1848 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5270.39 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No