Information card for entry 7205809

Structure parameters

• Formula: C72 H84 K8 O14 S8
• Calculated formula: C72 H84 K8 O14 S8
• Title of publication: Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements
• Authors of publication: Yamada, Manabu; Hamada, Fumio
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2494
• a: 12.7148 ± 0.0006 Å
• b: 13.1573 ± 0.0005 Å
• c: 23.569 ± 0.0012 Å
• α: 90°
• β: 98.144 ± 0.0017°
• γ: 90°
• Cell volume: 3903.2 ± 0.3 ų
• Cell temperature: 120.1 K
• Ambient diffraction temperature: 120.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No