Information card for entry 4509715

Structure parameters

• Formula: C150 H162 Gd N4 O62 P3 S8
• Calculated formula: C150 H124 Gd N4 O62 P3 S8
• 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: 14.326 ± 0.0001 Å
• b: 22.7655 ± 0.0002 Å
• c: 28.1062 ± 0.0003 Å
• α: 112.813 ± 0.001°
• β: 91.721 ± 0.001°
• γ: 97.864 ± 0.001°
• Cell volume: 8335.29 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1612
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.327
• Weighted residual factors for all reflections included in the refinement: 0.3517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No