Information card for entry 4080196

Structure parameters

• Formula: C62 H157 Li N4 O5 S9 Si8 Tb4
• Calculated formula: C58 H149 Li N4 O4 S9 Si8 Tb4
• 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: 14.8431 ± 0.0009 Å
• b: 25.4673 ± 0.0012 Å
• c: 26.4317 ± 0.0015 Å
• α: 90°
• β: 91.784 ± 0.005°
• γ: 90°
• Cell volume: 9986.7 ± 1 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: 0.1791
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No