Information card for entry 4105895

Structure parameters

• Formula: C40 H46 Dy2 N8 O14
• Calculated formula: C40 H46 Dy2 N8 O14
• SMILES: C1C[NH]2CC[N]3=Cc4cccc(OC)c4[O]4[Dy]5623([N]1=Cc1cccc(c1O5)OC)([O]1c2c(C=[N]3CC[NH]5CC[N]7=Cc8cccc(c8O[Dy]841357ON(=[O]8)=O)OC)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: 10.4807 ± 0.0005 Å
• b: 10.5015 ± 0.0005 Å
• c: 11.4678 ± 0.0005 Å
• α: 64.937 ± 0.002°
• β: 66.519 ± 0.002°
• γ: 79.936 ± 0.002°
• Cell volume: 1048.63 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0155
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No