Information card for entry 4340682

Structure parameters

• Formula: C30.5 H68 Cu3 N9 O21.5 Tb
• Calculated formula: C30.5 H68 Cu3 N9 O21.5 Tb
• Title of publication: Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.
• Authors of publication: Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8970 - 8978
• a: 8.9334 ± 0.0002 Å
• b: 16.0024 ± 0.0004 Å
• c: 16.3048 ± 0.0004 Å
• α: 78.919 ± 0.001°
• β: 86.492 ± 0.001°
• γ: 82.839 ± 0.002°
• Cell volume: 2267.91 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No