Information card for entry 4104208

Structure parameters

• Formula: C19 H21 Cl F3 N7 O3 Pb S
• Calculated formula: C19 H21 Cl F3 N7 O3 Pb S
• SMILES: c12cccc3C=[N]4CC[NH]5CC[N](=Cc6cccc(n6)N(C)N=C1)[Pb]45(Cl)[n]23.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 8.1415 ± 0.0005 Å
• b: 11.7218 ± 0.0007 Å
• c: 13.3147 ± 0.0006 Å
• α: 74.683 ± 0.003°
• β: 88.334 ± 0.003°
• γ: 77.536 ± 0.003°
• Cell volume: 1196.12 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No