Information card for entry 4349158

Structure parameters

• Common name: Cerium(III)6’,6-bis(1-benzyl-1H-1,2,3-triazol-4-yl)-2,2’-bipyridine
• Formula: C28 H21 Ce N11 O9
• Calculated formula: C28 H22 Ce N11 O9
• SMILES: [Ce]123456(ON(=[O]1)=O)([n]1c(c7[n]3c(c3[n]5nn(c3)Cc3ccccc3)ccc7)cccc1c1[n]4nn(c1)Cc1ccccc1)(ON(=[O]2)=O)ON(=[O]6)=O
• Title of publication: Characterization of Lanthanide Complexes with Bis-1,2,3-triazole-bipyridine Ligands Involved in Actinide/Lanthanide Separation.
• Authors of publication: Muller, Julie M.; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Nash, Kenneth L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11454 - 11461
• a: 9.5464 ± 0.0015 Å
• b: 14.181 ± 0.002 Å
• c: 23.72 ± 0.004 Å
• α: 103.231 ± 0.004°
• β: 94.598 ± 0.004°
• γ: 96.035 ± 0.004°
• Cell volume: 3090.5 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No