Information card for entry 4104207

Structure parameters

• Formula: C21 H21 F6 N7 O6 Pb S2
• Calculated formula: C21 H21 F6 N7 O6 Pb S2
• SMILES: [Pb]1234[n]5c6cccc5C=[N]1CCC[N]2=Cc1[n]3c(N([N]4=C6)C)ccc1.S(=O)(=O)([O-])C(F)(F)F.N#CC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System
• Authors of publication: Sébastien Ulrich; Jean-Marie Lehn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5546 - 5559
• a: 10.7211 ± 0.0007 Å
• b: 12.1059 ± 0.0008 Å
• c: 12.3438 ± 0.0005 Å
• α: 60.978 ± 0.003°
• β: 82.671 ± 0.003°
• γ: 82.823 ± 0.003°
• Cell volume: 1385.79 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No