Information card for entry 7221131

Structure parameters

• Formula: C140 H180 Gd2 N4 O63 P2 S8
• Calculated formula: C140 H116 Gd2 N4 O63 P2 S8
• 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: 14.082 ± 0.0002 Å
• b: 19.2969 ± 0.0004 Å
• c: 30.278 ± 0.0008 Å
• α: 86.912 ± 0.002°
• β: 79.794 ± 0.002°
• γ: 78.073 ± 0.002°
• Cell volume: 7921.4 ± 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: 0.1598
• Residual factor for significantly intense reflections: 0.145
• Weighted residual factors for significantly intense reflections: 0.3709
• Weighted residual factors for all reflections included in the refinement: 0.3824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No