Information card for entry 4104209

Structure parameters

• Formula: C27 H30 F6 N8 O7 Pb S2
• Calculated formula: C27 H30 F6 N8 O7 Pb S2
• 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: 8.3621 ± 0.0002 Å
• b: 30.3182 ± 0.0007 Å
• c: 17.062 ± 0.0003 Å
• α: 90°
• β: 112.59 ± 0.001°
• γ: 90°
• Cell volume: 3993.75 ± 0.15 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: 0.1348
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No