Information card for entry 7051647

Structure parameters

• Formula: C16 H12 F6 N4 O8 Pb S2
• Calculated formula: C16 H12 F6 N4 O8 Pb S2
• SMILES: C(F)(F)(F)S(=O)(=O)O[Pb]123([n]4c(C=[O]3)cccc4N(C)[N]1=Cc1cccc(C=O)[n]21)OS(=O)(=O)C(F)(F)F
• 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: 10.2401 ± 0.0003 Å
• b: 13.1113 ± 0.0006 Å
• c: 17.6193 ± 0.0007 Å
• α: 90°
• β: 98.972 ± 0.002°
• γ: 90°
• Cell volume: 2336.64 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No