Information card for entry 4303294

Structure parameters

• Formula: C40 H75 N10 O17 Sm
• Calculated formula: C40 H75 N10 O17 Sm
• SMILES: [O]12CC[O]3CC[O]4CC[N]56[Sm]78234([O]=C(C5)NC(C)(C)C)([O]=C(C6)NC(C)(C)C)[O]=C(C[N]8(CC1)CC(=[O]7)NC(C)(C)C)NC(C)(C)C.O.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].N#CC.c1ccccc1
• Title of publication: Structural and NMR Characterization of Sm(III), Eu(III), and Yb(III) Complexes of an Amide Based Polydentate Ligand Exhibiting Paramagnetic Chemical Exchange Saturation Transfer Abilities
• Authors of publication: Jason D. Dorweiler; Victor N. Nemykin; Amanda N. Ley; Robert D. Pike; Steven M. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9365 - 9376
• a: 21.198 ± 0.004 Å
• b: 16.07 ± 0.003 Å
• c: 16.119 ± 0.003 Å
• α: 90°
• β: 102.39 ± 0.03°
• γ: 90°
• Cell volume: 5363.1 ± 1.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.153
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No