Information card for entry 4320179

Structure parameters

• Formula: C36 H64 N14 O20
• Calculated formula: C36 H64 N14 O20
• 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: 10.24 ± 0.002 Å
• b: 10.369 ± 0.002 Å
• c: 25.633 ± 0.005 Å
• α: 80.46 ± 0.03°
• β: 84.96 ± 0.03°
• γ: 62.23 ± 0.03°
• Cell volume: 2374.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No