Information card for entry 7054175

Structure parameters

• Formula: C53 H59.5 O33.5 P S4 Yb
• Calculated formula: C53 H42 O33.5 P 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: 12.6687 ± 0.0008 Å
• b: 14.9526 ± 0.0009 Å
• c: 18.497 ± 0.002 Å
• α: 96.405 ± 0.007°
• β: 100.594 ± 0.008°
• γ: 107.678 ± 0.006°
• Cell volume: 3228.7 ± 0.5 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: 0.0835
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No