Information card for entry 4105899

Structure parameters

• Formula: C40 H46 N8 O14 Tb2
• Calculated formula: C40 H46 N8 O14 Tb2
• SMILES: C1=[N]2CC[NH]3CC[N]4=Cc5cccc(OC)c5[O]5[Tb]6234(Oc2c(cccc12)OC)([O]1c2c(C=[N]3CC[NH]4CC[N]7=Cc8c(c(ccc8)OC)O[Tb]851347ON(=[O]8)=O)cccc2OC)ON(=[O]6)=O
• Title of publication: Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex
• Authors of publication: Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5319 - 5328
• a: 10.5536 ± 0.0003 Å
• b: 10.5537 ± 0.0003 Å
• c: 11.4994 ± 0.0003 Å
• α: 66.171 ± 0.001°
• β: 65.016 ± 0.001°
• γ: 80.009 ± 0.001°
• Cell volume: 1061.98 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No