Information card for entry 4321628

Structure parameters

• Formula: C22 H48 Cu N11 O19.5
• Calculated formula: C22 H37 Cu N11 O19.5
• Title of publication: Carboxymethylation of Cage Amines: Control of Alkylation by Metal Ion Coordination
• Authors of publication: Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5817 - 5830
• a: 15.529 ± 0.003 Å
• b: 11.075 ± 0.005 Å
• c: 20.422 ± 0.003 Å
• α: 90°
• β: 98.12 ± 0.01°
• γ: 90°
• Cell volume: 3477 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.078
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections: 1.714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No