Information card for entry 7052982

Structure parameters

• Formula: C139 H175 F9 N15 O18 S3 Yb
• Calculated formula: C121 H127 F9 N15 O15 S3 Yb
• Title of publication: 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems
• Authors of publication: Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 119
• a: 14.8807 ± 0.0003 Å
• b: 20.2373 ± 0.0004 Å
• c: 24.8721 ± 0.0006 Å
• α: 95.009 ± 0.002°
• β: 101.027 ± 0.002°
• γ: 107.138 ± 0.001°
• Cell volume: 6942.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No