Information card for entry 1556564

Structure parameters

• Formula: C72 H50 Dy2 F36 N4 O12 S2
• Calculated formula: C72 H50 Dy2 F36 N4 O12 S2
• SMILES: c1cccc2[n]1[Dy]134([n]5c2ccc(c5)C2=CC5=C6CCCC6=C6[C@@](C)([C@@]5(C)S2)SC(=C6)c2c[n]5c(cc2)c2[n](cccc2)[Dy]2675([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.CCCCCCC.c1cccc2[n]1[Dy]134([n]5c2ccc(c5)C2=CC5=C6CCCC6=C6[C@](C)([C@]5(C)S2)SC(=C6)c2c[n]5c(cc2)c2[n](cccc2)[Dy]2675([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.CCCCCCC
• Title of publication: Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge
• Authors of publication: Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 9
• a: 11.7047 ± 0.0003 Å
• b: 19.6164 ± 0.0001 Å
• c: 20.8522 ± 0.0002 Å
• α: 71.022 ± 0.008°
• β: 79.601 ± 0.009°
• γ: 70.806 ± 0.007°
• Cell volume: 4261.3 ± 0.3 ų
• Cell temperature: 96.1 ± 0.2 K
• Ambient diffraction temperature: 96.1 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No