Information card for entry 4320176

Structure parameters

• Formula: C24 H46 N12 O19
• Calculated formula: C24 H46 N12 O19
• Title of publication: Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality
• Authors of publication: Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4710 - 4720
• a: 13.6738 ± 0.0008 Å
• b: 8.2208 ± 0.0005 Å
• c: 15.5074 ± 0.0009 Å
• α: 90°
• β: 94.633 ± 0.002°
• γ: 90°
• Cell volume: 1737.48 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No