Information card for entry 7119933

Structure parameters

• Common name: [Eu(BTrzPhen)2](OTf)3
• Chemical name: aqua-bis(2,9-bis(1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)-1,10-phenanthroline)-europium(III) di(trifluoromethanesulfonate) monohydrat
• Formula: C42 H40 Eu F6 N16 O12 S2
• Calculated formula: C42 H40 Eu F6 N16 O12 S2
• Title of publication: Hydrophilic 2,9-bis-triazolyl-1,10-phenanthroline ligands enable selective Am(iii) separation: a step further towards sustainable nuclear energy.
• Authors of publication: Edwards, Alyn C.; Mocilac, Pavle; Geist, Andreas; Harwood, Laurence M.; Sharrad, Clint A.; Burton, Neil A.; Whitehead, Roger C.; Denecke, Melissa A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 5001 - 5004
• a: 11.2812 ± 0.0004 Å
• b: 14.038 ± 0.0005 Å
• c: 18.1066 ± 0.0005 Å
• α: 89.495 ± 0.002°
• β: 82.741 ± 0.002°
• γ: 73.516 ± 0.003°
• Cell volume: 2726.47 ± 0.16 ų
• Cell temperature: 150.02 ± 0.11 K
• Ambient diffraction temperature: 150.02 ± 0.11 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: 0.0744
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No