Information card for entry 7051648

Structure parameters

• Formula: C22 H24 F6 N6 O8 Pb S2
• Calculated formula: C22 H24 F6 N6 O8 Pb S2
• SMILES: c12cccc3[n]2[Pb]24([N](=Cc5cccc(C=[N]4CCOCCOCCN=C1)[n]25)N3C)(OS(=O)(=O)C(F)(F)F)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: 8.7467 ± 0.0002 Å
• b: 13.0859 ± 0.0005 Å
• c: 26.4906 ± 0.0008 Å
• α: 90°
• β: 97.775 ± 0.002°
• γ: 90°
• Cell volume: 3004.2 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No