Information card for entry 4340126

Structure parameters

• Formula: C22 H26 N12 O6.5 Sm
• Calculated formula: C22 H14 N12 O6.5 Sm
• Title of publication: 6-(Tetrazol-5-yl)-2,2'-bipyridine: A Highly Selective Ligand for the Separation of Lanthanides(III) and Actinides(III).
• Authors of publication: Kratsch, Jochen; Beele, Björn B; Koke, Carsten; Denecke, Melissa A.; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8949 - 8958
• a: 11.052 Å
• b: 11.334 Å
• c: 12.725 Å
• α: 90°
• β: 106.18°
• γ: 90°
• Cell volume: 1530.84 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No