Information card for entry 4503694

Structure parameters

• Formula: C36 H82 N8 O29 P6
• Calculated formula: C36 H82 N8 O29 P6
• Title of publication: Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity
• Authors of publication: Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3689
• a: 11.882 ± 0.005 Å
• b: 17.024 ± 0.007 Å
• c: 13.724 ± 0.006 Å
• α: 90°
• β: 93.978 ± 0.008°
• γ: 90°
• Cell volume: 2769 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No