Information card for entry 7051761

Structure parameters

• Formula: C116 H114 Na O25.5 P4 S4
• Calculated formula: C116 H114 Na O25.5 P4 S4
• Title of publication: Nanoporous materials based on heteroleptic bilayers built up from bisphosphonium, p-sulfonatocalix[4]arene ions
• Authors of publication: Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 83
• a: 14.8462 ± 0.0006 Å
• b: 21.114 ± 0.001 Å
• c: 33.652 ± 0.001 Å
• α: 90°
• β: 93.277 ± 0.003°
• γ: 90°
• Cell volume: 10531.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1957
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No