Information card for entry 7107184

Structure parameters

• Formula: C60 H42 Dy2 F36 O18 S4
• Calculated formula: C60 H42 Dy2 F36 O18 S4
• SMILES: C1=C(C(F)(F)F)O[Dy]234([O]=C5C(=C6C(=C(C(C)(C)C)C5=[O]2)SC(S6)=C2SC5=C(C(C)(C)C)C6=[O][Dy]789([O]=C6C(C(C)(C)C)=C5S2)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]8)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O9)C(F)(F)F)[OH2])C(C)(C)C)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)([O]=C1C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[OH2]
• Title of publication: A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge
• Authors of publication: Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 714
• a: 21.9609 ± 0.0004 Å
• b: 22.9148 ± 0.0002 Å
• c: 32.8557 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16534 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No