Information card for entry 4509714

Structure parameters

• Formula: C278 H324 Gd0.67 N12 O96 P4 S16
• Calculated formula: C278 H248 Gd0.66 N12 O95.92 P4 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: 14.3665 ± 0.0004 Å
• b: 19.1493 ± 0.0006 Å
• c: 29.3847 ± 0.0009 Å
• α: 85.046 ± 0.002°
• β: 76.231 ± 0.002°
• γ: 86.048 ± 0.002°
• Cell volume: 7812.6 ± 0.4 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: 0.3004
• Residual factor for significantly intense reflections: 0.185
• Weighted residual factors for significantly intense reflections: 0.3885
• Weighted residual factors for all reflections included in the refinement: 0.4333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No