Information card for entry 4316826

Structure parameters

• Common name: [Sm(dmpbipy)(NO3)3(DMSO)]
• Formula: C17 H20 N7 O10 S Sm
• Calculated formula: C17 H20 N7 O10 S Sm
• SMILES: [Sm]12345(ON(=[O]2)=O)([n]2c(cccc2n2[n]1c(cc2C)C)c1[n]5cccc1)(ON(=[O]3)=O)(ON(=[O]4)=O)[O]=S(C)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: 9.4637 ± 0.0019 Å
• b: 10.825 ± 0.002 Å
• c: 11.554 ± 0.002 Å
• α: 85.3 ± 0.03°
• β: 86.3 ± 0.03°
• γ: 88.61 ± 0.03°
• Cell volume: 1177 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No