Information card for entry 4337804

Structure parameters

• Formula: C19 H26 Dy N7 O12
• Calculated formula: C19 H26 Dy N7 O12
• SMILES: c1cccc2C=[N]3CC[O]4CC[O]5CC[N]6=Cc7cccc[n]7[Dy]783456([n]12)(ON(=[O]7)=O)ON(=[O]8)=O.CO.N(=O)(=O)[O-]
• Title of publication: Structural and Electronic Dependence of the Single-Molecule-Magnet Behavior of Dysprosium(III) Complexes.
• Authors of publication: Campbell, Victoria E.; Bolvin, Hélène; Rivière, Eric; Guillot, Regis; Wernsdorfer, Wolfgang; Mallah, Talal
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2598 - 2605
• a: 7.893 ± 0.004 Å
• b: 11.861 ± 0.005 Å
• c: 13.99 ± 0.005 Å
• α: 92.479 ± 0.005°
• β: 95.807 ± 0.005°
• γ: 94.319 ± 0.005°
• Cell volume: 1297.6 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No