Information card for entry 7051649

Structure parameters

• Formula: C16 H12 F6 N4 O8 Pb S2
• Calculated formula: C16 H12 F6 N4 O8 Pb S2
• 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: 9.5365 ± 0.0019 Å
• b: 12.446 ± 0.003 Å
• c: 10.605 ± 0.002 Å
• α: 90°
• β: 110.52 ± 0.03°
• γ: 90°
• Cell volume: 1178.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No