Information card for entry 7051760

Structure parameters

• Formula: C100 H154 Er2 O70 P2 S8
• Calculated formula: C100 H70 Er2 O70.01 P2 S8
• 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: 15.57 ± 0.002 Å
• b: 21.425 ± 0.003 Å
• c: 22.794 ± 0.004 Å
• α: 75.66 ± 0.02°
• β: 84.2 ± 0.01°
• γ: 77.09 ± 0.01°
• Cell volume: 7172 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2145
• Residual factor for significantly intense reflections: 0.1508
• Weighted residual factors for significantly intense reflections: 0.3791
• Weighted residual factors for all reflections included in the refinement: 0.4061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No