Information card for entry 4301208

Structure parameters

• Formula: C20 H36 N5 O11 Yb
• Calculated formula: C20 H36 N5 O11 Yb
• Title of publication: Lanthanide(III) Complexes of Pyridine-N-Oxide Analogues of DOTA in Solution and in the Solid State. A New Kind of Isomerism in Complexes of DOTA-like Ligands
• Authors of publication: Miloslav Polášek; Jan Kotek; Petr Hermann; Ivana Císařová; Koen Binnemans; Ivan Lukeš
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 466 - 475
• a: 10.3419 ± 0.0002 Å
• b: 7.4778 ± 0.0001 Å
• c: 33.3682 ± 0.0005 Å
• α: 90°
• β: 95.5528 ± 0.0008°
• γ: 90°
• Cell volume: 2568.41 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No