Information card for entry 4316825

Structure parameters

• Common name: Dimethylpyrazolbipyridine
• Formula: C15 H14 N4
• Calculated formula: C15 H14 N4
• SMILES: c1cccnc1c1cccc(n1)n1c(cc(C)n1)C
• Title of publication: 6-(3,5-Dimethyl-1H-pyrazol-1-yl)-2,2'-bipyridine as Ligand for Actinide(III)/Lanthanide(III) Separation
• Authors of publication: Denise Girnt; Peter W. Roesky; Andreas Geist; Christian M. Ruff; Petra J. Panak; Melissa A. Denecke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9627 - 9635
• a: 5.0833 ± 0.001 Å
• b: 14.957 ± 0.003 Å
• c: 16.451 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No