Information card for entry 7223405

Structure parameters

• Formula: C167 H195 N2 O60 P4 S8
• Calculated formula: C167 H136 N2 O60.0002 P4 S8
• Title of publication: Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4929
• a: 17.4699 ± 0.0008 Å
• b: 18.0265 ± 0.0007 Å
• c: 23.3461 ± 0.0009 Å
• α: 102.788 ± 0.003°
• β: 96.123 ± 0.003°
• γ: 118.576 ± 0.004°
• Cell volume: 6099.4 ± 0.5 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: 0.2438
• Residual factor for significantly intense reflections: 0.1719
• Weighted residual factors for significantly intense reflections: 0.4089
• Weighted residual factors for all reflections included in the refinement: 0.4396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No