Information card for entry 4116423

Structure parameters

• Chemical name: Dysprosium N, N', N'', N'''-tetrakis(R)-( )-1,4,7 ,10-tetraazacyclododecane
• Formula: C20 H47 Dy F18 N8 O7.5 P3
• Calculated formula: C20 H42 Dy F18 N8 O8.5 P3
• Title of publication: NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands
• Authors of publication: Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 5762 - 5771
• a: 12.7068 ± 0.0002 Å
• b: 13.0137 ± 0.0002 Å
• c: 14.3285 ± 0.0002 Å
• α: 70.13 ± 0.001°
• β: 72.953 ± 0.001°
• γ: 65.408 ± 0.001°
• Cell volume: 1994.07 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0563
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No