Information card for entry 7223404

Structure parameters

• Formula: C114 H124 Gd2 N2 O47 P2 S8
• Calculated formula: C114 H124 Gd2 N2 O47 P2 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: 12.3714 ± 0.0003 Å
• b: 13.3655 ± 0.0002 Å
• c: 37.5272 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6205.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2818
• Weighted residual factors for all reflections included in the refinement: 0.2968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No