Information card for entry 4321623

Structure parameters

• Formula: C18 H47 Cl3 Co N8 O8.5
• Calculated formula: C18 H36 Cl3 Co N8 O8.5
• 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: 8.742 ± 0.001 Å
• b: 12.73 ± 0.002 Å
• c: 14.034 ± 0.002 Å
• α: 76.294 ± 0.002°
• β: 79.011 ± 0.002°
• γ: 70.788 ± 0.002°
• Cell volume: 1422 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections: 1.875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No