Information card for entry 4321624

Structure parameters

• Formula: C18 H51 Cl Co N8 O15.5
• Calculated formula: C18 H42 Cl Co N8 O15.5
• 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: 15.258 ± 0.001 Å
• b: 13.223 ± 0.001 Å
• c: 17.333 ± 0.002 Å
• α: 90°
• β: 114.785 ± 0.001°
• γ: 90°
• Cell volume: 3174.9 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 2.175
• Goodness-of-fit parameter for all reflections included in the refinement: 2.385
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No