Information card for entry 7054172

Structure parameters

• Formula: C76 H115 O44 P2 S4 Yb
• Calculated formula: C76 H59 O44.01 P2 S4 Yb
• Title of publication: Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations
• Authors of publication: Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 662
• a: 14.566 ± 0.002 Å
• b: 25.954 ± 0.003 Å
• c: 25.644 ± 0.003 Å
• α: 90°
• β: 99.295 ± 0.002°
• γ: 90°
• Cell volume: 9567 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.1476
• Weighted residual factors for significantly intense reflections: 0.3611
• Weighted residual factors for all reflections included in the refinement: 0.3923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No