Information card for entry 1515143

Structure parameters

• Formula: C129.5 H133.5 Dy2 N10.5 O17.5
• Calculated formula: C129.5 H133.5 Dy2 N10.5 O17.5
• SMILES: [Dy]1234567Oc8c(OC)cccc8C=[N]6c6ccc(cc6)c6ccc(N=Cc8c9O[Dy]%10%11%12([O](c9ccc8)C)(Oc8c(C=[N]%11c9ccc(c%11ccc(N=Cc%13c(O1)c([O]2C)ccc%13)cc%11)cc9)cccc8OC)(Oc1c(C=Nc2ccc(c8ccc([N]7=Cc7c(O3)c(OC)ccc7)cc8)cc2)cccc1[O]%10C)Oc1c(C=[N]%12c2ccc(c3ccc(N=Cc7c(O4)c([O]5C)ccc7)cc3)cc2)cccc1OC)cc6.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O=CN(C)C.O
• 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: 14.3544 ± 0.0008 Å
• b: 18.9741 ± 0.001 Å
• c: 23.049 ± 0.0012 Å
• α: 86.019 ± 0.003°
• β: 81.988 ± 0.003°
• γ: 79.315 ± 0.002°
• Cell volume: 6102.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1355
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No