Information card for entry 7205810

Structure parameters

• Formula: C100 H72 K8 O23 S16
• Calculated formula: C100 H72 K8 O23 S16
• 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: 22.2021 ± 0.001 Å
• b: 19.4371 ± 0.0009 Å
• c: 15.8554 ± 0.0006 Å
• α: 90°
• β: 130.596 ± 0.0009°
• γ: 90°
• Cell volume: 5195.5 ± 0.4 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.379
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No