Information card for entry 4301207

Structure parameters

• Formula: C20 H34 N5 O10 Tm
• Calculated formula: C20 H32 N5 O10 Tm
• 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: 7.3145 ± 0.0001 Å
• b: 10.6758 ± 0.0003 Å
• c: 15.7482 ± 0.0004 Å
• α: 81.7654 ± 0.0012°
• β: 86.6648 ± 0.0015°
• γ: 89.6355 ± 0.0016°
• Cell volume: 1215.01 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0311
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No