Information card for entry 7054174

Structure parameters

• Formula: C217 H314 Cl Gd5.33 O132 P4 S16
• Calculated formula: C217 H188 Cl Gd5.34 O132 P4 S16
• 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: 14.624 ± 0.001 Å
• b: 19.987 ± 0.002 Å
• c: 25.192 ± 0.002 Å
• α: 67.801 ± 0.001°
• β: 74.982 ± 0.001°
• γ: 89.74 ± 0.001°
• Cell volume: 6548.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No