Information card for entry 4333048

Structure parameters

• Formula: C134 H143 K8 N11 O8 S8
• Calculated formula: C133.94 H142.82 K8 N11 O8 S8
• Title of publication: Alkali-Metalated Forms of Thiacalix[4]arenes
• Authors of publication: Zeller, Jürgen; Radius, Udo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9487 - 9492
• a: 13.2614 ± 0.0012 Å
• b: 15.2201 ± 0.0011 Å
• c: 18.8693 ± 0.0017 Å
• α: 81.046 ± 0.01°
• β: 77.249 ± 0.011°
• γ: 69.81 ± 0.009°
• Cell volume: 3473.2 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No