Information card for entry 4115286

Structure parameters

• Formula: C122 H76 Cl8 N6 O22 Pd S4
• Calculated formula: C122 H76 Cl8 N6 O22 Pd S4
• Title of publication: Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability
• Authors of publication: Howard M. Colquhoun; David J. Williams; Zhixue Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13346 - 13347
• a: 21.651 ± 0.003 Å
• b: 16.699 ± 0.002 Å
• c: 30.468 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11016 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2447
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections: 0.283
• Weighted residual factors for significantly intense reflections: 0.1953
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.347
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No