Information card for entry 4346088

Structure parameters

• Formula: C73 H45 Dy2 F27 N8 O12 S9
• Calculated formula: C73 H45 Dy2 F27 N8 O12 S9
• SMILES: [Dy]1234([n]5c6cc7SC(Sc7cc6n(c5c5[n]1cccc5)Cc1cc5[n]6[Dy]789([n]%10n5ccc%10)([n]5n(c6c1)ccc5)(OC(=CC(=[O]7)c1cccs1)C(F)(F)F)(OC(=CC(=[O]8)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]9)C(F)(F)F)C(F)(F)F)=C1SC(=C(SCCC)S1)SCCC)(OC(=CC(=[O]2)c1sccc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)c1sccc1
• Title of publication: Multiple single-molecule magnet behaviors in dysprosium dinuclear complexes involving a multiple functionalized tetrathiafulvalene-based ligand.
• Authors of publication: Feng, Min; Pointillart, Fabrice; Lefeuvre, Bertrand; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4021 - 4028
• a: 10.1741 ± 0.001 Å
• b: 16.2954 ± 0.0013 Å
• c: 30.876 ± 0.003 Å
• α: 98.035 ± 0.003°
• β: 90.869 ± 0.003°
• γ: 104.958 ± 0.004°
• Cell volume: 4889.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2348
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.3105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No