Information card for entry 4340125

Structure parameters

• Formula: C19 H25 Cl N6
• Calculated formula: C19 H25 Cl N6
• SMILES: [Cl-].c1c(cc(nc1c1[nH]nnn1)c1[nH+]ccc(c1)C(C)(C)C)C(C)(C)C
• 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: 11.069 ± 0.002 Å
• b: 14.409 ± 0.003 Å
• c: 13.018 ± 0.003 Å
• α: 90°
• β: 103.4 ± 0.03°
• γ: 90°
• Cell volume: 2019.8 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No