Information card for entry 4337803

Structure parameters

• Formula: C19 H30 Dy N7 O12
• Calculated formula: C19 H30 Dy N7 O12
• SMILES: c1cccc2C[NH]3CC[O]4CC[O]5CC[NH]6Cc7cccc[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: 11.224 ± 0.0003 Å
• b: 11.24 ± 0.0004 Å
• c: 11.498 ± 0.0004 Å
• α: 84.705 ± 0.001°
• β: 83.654 ± 0.001°
• γ: 65.825 ± 0.001°
• Cell volume: 1313.47 ± 0.07 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: 0.027
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No