Information card for entry 4080195

Structure parameters

• Formula: C58 H149 Gd4 Li N4 O4 S9 Si8
• Calculated formula: C58 H149 Gd4 Li N4 O4 S9 Si8
• Title of publication: Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages
• Authors of publication: Woodruff, Daniel N.; Tuna, Floriana; Bodensteiner, Michael; Winpenny, Richard E. P.; Layfield, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1224
• a: 14.8584 ± 0.0005 Å
• b: 25.4645 ± 0.0008 Å
• c: 26.6088 ± 0.001 Å
• α: 90°
• β: 91.664 ± 0.003°
• γ: 90°
• Cell volume: 10063.5 ± 0.6 ų
• Cell temperature: 102 ± 1 K
• Ambient diffraction temperature: 102 ± 1 K
• Number of distinct elements: 8
• 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: 0.143
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No