Information card for entry 4120032

Structure parameters

• Formula: C23 H7 F18 Gd N3 O7 S2
• Calculated formula: C23 H7 F18 Gd N3 O7 S2
• Title of publication: Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair
• Authors of publication: Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9596 - 9599
• a: 14.7789 ± 0.0004 Å
• b: 28.565 ± 0.0007 Å
• c: 15.7335 ± 0.0004 Å
• α: 90°
• β: 90.177 ± 0.002°
• γ: 90°
• Cell volume: 6642 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No