Information card for entry 7060152

Structure parameters

• Formula: C92 H120 Al4 N4 O32 S8
• Calculated formula: C92 H120 Al4 N4 O32 S8
• Title of publication: Intercalation of a manganese(ii)-thiacalixarene luminescent complex in layered double hydroxides: synthesis and photophysical characterization
• Authors of publication: O’Toole, Niall; Lecourt, Constance; Suffren, Yan; Toche, François; Chiriac, Rodica; Gilon, Nicole; Bessueille, François; Brioude, Arnaud; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cédric
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 343 - 350
• a: 13.9486 ± 0.0004 Å
• b: 22.9133 ± 0.0007 Å
• c: 20.0205 ± 0.0006 Å
• α: 90°
• β: 104.421 ± 0.003°
• γ: 90°
• Cell volume: 6197.1 ± 0.3 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No