Information card for entry 7052984

Structure parameters

• Formula: C111 H83 F9 N21 O13 S3 Yb
• Calculated formula: C111 H81 F9 N21 O12.5 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: 13.6476 ± 0.0009 Å
• b: 16.3938 ± 0.001 Å
• c: 23.0054 ± 0.0014 Å
• α: 88.036 ± 0.001°
• β: 89.204 ± 0.001°
• γ: 82.558 ± 0.001°
• Cell volume: 5100.5 ± 0.6 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: 0.0407
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No