Information card for entry 4303296

Structure parameters

• Formula: C34 H70 N9 O17 Yb
• Calculated formula: C34 H70 N9 O17 Yb
• SMILES: [Yb]12345678[O]=C(NC(C)(C)C)C[N]7(CC(=[O]1)NC(C)(C)C)CC[O]2CC[O]3CC[O]4CC[N]8(CC(=[O]5)NC(C)(C)C)CC(=[O]6)NC(C)(C)C.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].OCC
• 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: 34.436 ± 0.005 Å
• b: 14.1718 ± 0.0018 Å
• c: 20.786 ± 0.003 Å
• α: 90°
• β: 96.331 ± 0.006°
• γ: 90°
• Cell volume: 10082 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No