Information card for entry 1514463

Structure parameters

• Formula: C19 H24 Dy N7 O14
• Calculated formula: C19 H24 Dy N7 O14
• SMILES: [Dy]1234([O]=C(Nc5[nH+]cccc5)C=C(O1)C)(ON(=[O]3)=O)(OC(=CC(=[O]2)C)Nc1[nH+]cccc1)([O]=N(=O)O4)[OH]C.O=N(=O)[O-]
• Title of publication: Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry
• Authors of publication: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1719
• a: 13.09 ± 0.003 Å
• b: 14.792 ± 0.003 Å
• c: 13.965 ± 0.003 Å
• α: 90°
• β: 102.88 ± 0.03°
• γ: 90°
• Cell volume: 2636 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0545
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No