Information card for entry 4321627

Structure parameters

• Formula: C42 H134 Cl15 Co3 N24 O41
• Calculated formula: C42 H132 Cl15 Co3 N24 O41
• 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: 13.413 ± 0.003 Å
• b: 17.21 ± 0.004 Å
• c: 21.561 ± 0.005 Å
• α: 66.628 ± 0.003°
• β: 83.144 ± 0.004°
• γ: 89.451 ± 0.004°
• Cell volume: 4532.1 ± 1.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.073
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No