Information card for entry 7221129

Structure parameters

• Formula: C298 H344 Gd2 N12 O114 P4 S16
• Calculated formula: C298 H240 Gd2 N12 O114 P4 S16
• Title of publication: Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5841
• a: 14.4612 ± 0.0003 Å
• b: 22.9608 ± 0.0005 Å
• c: 26.3393 ± 0.0007 Å
• α: 75.41 ± 0.002°
• β: 77.11 ± 0.002°
• γ: 87.87 ± 0.002°
• Cell volume: 8248.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No