Information card for entry 7111452

Structure parameters

• Formula: C20 H34 Dy N5 O10
• Calculated formula: C20 H32 Dy N5 O10
• Title of publication: Lanthanide(iii) complexes of a pyridine N-oxide analogue of DOTA: exclusive M isomer formation induced by a six-membered chelate ring
• Authors of publication: Polášek, Miloslav; Rudovský, Jakub; Hermann, Petr; Lukeš, Ivan; Elst, Luce Vander; Muller, Robert N.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2602 - 2603
• a: 7.2951 ± 0.0001 Å
• b: 10.71 ± 0.0002 Å
• c: 15.7375 ± 0.0003 Å
• α: 82.0772 ± 0.0012°
• β: 86.8978 ± 0.0012°
• γ: 90.0588 ± 0.001°
• Cell volume: 1216.01 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0192
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No