Information card for entry 1515144

Structure parameters

• Formula: C144.5 H165 Dy2 N10 O19.5
• Calculated formula: C144.5 H165 Dy2 N10 O19.5
• SMILES: [Dy]1234567[N](=Cc8c(O4)c(OC)ccc8)c4ccc(cc4)Cc4ccc(N=Cc8c9O[Dy]%10%11%12([N](c%13ccc(Cc%14ccc(N=Cc%15c(O2)c([O]3C)ccc%15)cc%14)cc%13)=Cc2c(O%10)c(OC)ccc2)([N](=Cc2c(O%11)c(OC)ccc2)c2ccc(Cc3ccc(N=Cc%10c(O5)c([O]6C)ccc%10)cc3)cc2)([O](c9ccc8)C)Oc2c(C=Nc3ccc(Cc5ccc([N]1=Cc1c(O7)c(OC)ccc1)cc5)cc3)cccc2[O]%12C)cc4.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.CCOCC.CCOCC.O=C(C)C.O=C(C)C
• 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: 11.784 ± 0.0015 Å
• b: 22.87 ± 0.003 Å
• c: 52.23 ± 0.006 Å
• α: 90°
• β: 95.811 ± 0.006°
• γ: 90°
• Cell volume: 14004 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No