Information card for entry 4329085

Structure parameters

• Common name: [Sm(C5-BPP)(NO3)3(DMF)]
• Formula: C33 H57 N12 O13 Sm
• Calculated formula: C33 H57 N12 O13 Sm
• SMILES: CC(C)(C)Cc1cc2c3cccc4c5cc(CC(C)(C)C)[nH][n]5[Sm]567([n]2[nH]1)([n]34)(ON(=[O]5)=O)([O]=N(=O)O7)([O]=N(=O)O6)[O]=CN(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: 2,6-Bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine as a Ligand for Efficient Actinide(III)/Lanthanide(III) Separation
• Authors of publication: Antje Bremer; Christian M. Ruff; Denise Girnt; Udo Müllich; Jörg Rothe; Peter W. Roesky; Petra J. Panak; Alexei Karpov; Thomas J. J. Müller; Melissa A. Denecke; Andreas Geist
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5199 - 5207
• a: 9.987 ± 0.0006 Å
• b: 16.228 ± 0.001 Å
• c: 16.264 ± 0.0011 Å
• α: 115.42 ± 0.005°
• β: 100.09 ± 0.005°
• γ: 98.44 ± 0.005°
• Cell volume: 2269.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No