Information card for entry 4509713

Structure parameters

• Formula: C344 H439 Cl Gd0.67 N8 O138 P8 S16
• Calculated formula: C344 H292 Cl Gd0.66 N8 O137.96 P8 S16
• Title of publication: Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations
• Authors of publication: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 4497
• a: 14.8754 ± 0.0002 Å
• b: 42.7788 ± 0.0009 Å
• c: 17.769 ± 0.0002 Å
• α: 90°
• β: 97.073 ± 0.001°
• γ: 90°
• Cell volume: 11221.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2164
• Residual factor for significantly intense reflections: 0.1415
• Weighted residual factors for significantly intense reflections: 0.3404
• Weighted residual factors for all reflections included in the refinement: 0.3682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No