Information card for entry 1515142

Structure parameters

• Formula: C104.75 H113.5 Dy2 N10 O16.25
• Calculated formula: C104.75 H113.5 Dy2 N10 O16.25
• SMILES: CC(=O)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.COc1cccc2c1O[Dy]134567Oc8c([O]5C)cccc8/C=N/c5ccc(cc5)[N]5=Cc8cccc(c8O[Dy]89%105([N](=Cc5c(O%10)c(OC)ccc5)c5ccc(/N=C/c%10c(O1)c([O]4C)ccc%10)cc5)(Oc1c(/C=N/c4ccc([N]6=C2)cc4)cccc1[O]8C)Oc1c(/C=N/c2ccc([N]7=Cc4c(O3)c(OC)ccc4)cc2)cccc1[O]9C)OC
• Title of publication: Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets
• Authors of publication: Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2158
• a: 21.5894 ± 0.0008 Å
• b: 20.9227 ± 0.0009 Å
• c: 23.8146 ± 0.0009 Å
• α: 90°
• β: 109.321 ± 0.002°
• γ: 90°
• Cell volume: 10151.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No