Information card for entry 4320178

Structure parameters

• Formula: C36 H79.27 N8 O12.64
• Calculated formula: C36 H79.27 N8 O12.635
• 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: 10.6236 ± 0.0009 Å
• b: 18.5875 ± 0.0015 Å
• c: 23.978 ± 0.002 Å
• α: 90°
• β: 100.325 ± 0.002°
• γ: 90°
• Cell volume: 4658.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No