Information card for entry 7053389

Structure parameters

• Formula: C119 H170 Gd2 N2 O65 P2 S8
• Calculated formula: C119 H102 Gd2 N2 O65 P2 S8
• Title of publication: Multi-component bi-layers featuring [1-octyl-2,3-dimethylimidazolium ∩p-sulfonatocalix[4]arene] supermolecules
• Authors of publication: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 414
• a: 14.2968 ± 0.0002 Å
• b: 36.8876 ± 0.0003 Å
• c: 14.6319 ± 0.0002 Å
• α: 90°
• β: 110.886 ± 0.001°
• γ: 90°
• Cell volume: 7209.45 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2241
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No