Information card for entry 7214711

Structure parameters

• Formula: C31 H106 N Na5 O55 P4
• Calculated formula: C31 H105.98 N Na5 O55 P4
• Title of publication: Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers
• Authors of publication: Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8541
• a: 16.2938 ± 0.0004 Å
• b: 16.3581 ± 0.0003 Å
• c: 16.329 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4352.26 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2066
• 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