Information card for entry 7051650

Structure parameters

• Formula: C16 H12 F6 N4 O8 S2 Zn
• Calculated formula: C16 H12 F6 N4 O8 S2 Zn
• Title of publication: Reversible constitutional switching between macrocycles and polymers induced by shape change in a dynamic covalent system
• Authors of publication: Ulrich, Sébastien; Buhler, Eric; Lehn, Jean-Marie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 271
• a: 11.6632 ± 0.0015 Å
• b: 22.296 ± 0.004 Å
• c: 8.528 ± 0.0008 Å
• α: 90°
• β: 93.86 ± 0.008°
• γ: 90°
• Cell volume: 2212.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1943
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No