Information card for entry 4340684

Structure parameters

• Formula: C20 H46 Cu2 N6 O14
• Calculated formula: C20 H46 Cu2 N6 O14
• SMILES: C1C[N]2(CCO)CC[N]3(CC[OH][Cu]423[O]1[Cu]123[N](CC[O]42)(CCO)CC[N]1(CC[OH]3)CCO)CCO.N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 8.9168 ± 0.0002 Å
• b: 16.6076 ± 0.0003 Å
• c: 9.7099 ± 0.0002 Å
• α: 90°
• β: 96.868 ± 0.001°
• γ: 90°
• Cell volume: 1427.59 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0209
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No