Information card for entry 7053390

Structure parameters

• Formula: C41 H71 Gd N2 O29 S4
• Calculated formula: C41 H70.98 Gd N2 O28.99 S4
• 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: 13.245 ± 0.0002 Å
• b: 14.6552 ± 0.0003 Å
• c: 15.3003 ± 0.0003 Å
• α: 103.867 ± 0.002°
• β: 100.692 ± 0.001°
• γ: 98.878 ± 0.001°
• Cell volume: 2771.1 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No