Information card for entry 7708725

Structure parameters

• Common name: DMOF
• Chemical name: 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene
• Formula: C39 H24 F6 N2 O4 S2 Zn
• Calculated formula: C39 H24 F6 N2 O4 S2 Zn
• Title of publication: Solvent-controlled elongation and mechanochemical strain in a metal-organic framework
• Authors of publication: Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.033 ± 0.003 Å
• b: 25.167 ± 0.015 Å
• c: 29 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5133 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1849
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.3102
• Weighted residual factors for all reflections included in the refinement: 0.3718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No