Information card for entry 4105896

Structure parameters

• Formula: C40 H46 Eu2 N8 O14
• Calculated formula: C40 H46 Eu2 N8 O14
• SMILES: C1=[N]2CC[NH]3CC[N]4=Cc5c([O]6[Eu]7234(ON(=[O]7)=O)(Oc2c(cccc12)OC)[O]1c2c(C=[N]3CC[NH]4CC[N]7=Cc8c(c(ccc8)OC)O[Eu]861347ON(=[O]8)=O)cccc2OC)c(OC)ccc5
• 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: 10.5977 ± 0.0005 Å
• b: 10.642 ± 0.0005 Å
• c: 11.5192 ± 0.0006 Å
• α: 65.341 ± 0.002°
• β: 64.813 ± 0.002°
• γ: 80.419 ± 0.002°
• Cell volume: 1068.32 ± 0.09 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: 0.0194
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No