Information card for entry 4105898

Structure parameters

• Formula: C40 H46 Ho2 N8 O14
• Calculated formula: C40 H46 Ho2 N8 O14
• SMILES: C1[N]2=Cc3c(c(ccc3)OC)[O]3[Ho]4562([NH](C1)CC[N]4=Cc1c(O5)c(OC)ccc1)(ON(=[O]6)=O)[O]1c2c(cccc2C=[N]2CC[NH]4CC[N]5=Cc6c(O[Ho]731245ON(=[O]7)=O)c(OC)ccc6)OC
• 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: 10.533 ± 0.0007 Å
• b: 10.5394 ± 0.0009 Å
• c: 11.5002 ± 0.0009 Å
• α: 66.484 ± 0.004°
• β: 65.036 ± 0.004°
• γ: 79.837 ± 0.004°
• Cell volume: 1061.21 ± 0.15 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: 0.0198
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No