Information card for entry 7711501

Structure parameters

• Formula: C59 H35 Cd Dy F30 N8 O10 S6
• Calculated formula: C59 H35 Cd Dy F30 N8 O10 S6
• SMILES: CCCSC1=C(SCCC)SC(S1)=C1Sc2c(cc3c(c2)N(C2c4cccc[n]4[Cd]45([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O5)[N]3=2)Cc2cc3n4ccc[n]4[Dy]4567([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O5)(OC(=CC(C(F)(F)F)=[O]6)C(F)(F)F)[n]3c(c2)n2ccc[n]72)S1
• Title of publication: Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand
• Authors of publication: Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.7 ± 0.003 Å
• b: 24.985 ± 0.005 Å
• c: 26.286 ± 0.005 Å
• α: 101.213 ± 0.006°
• β: 99.668 ± 0.005°
• γ: 98.737 ± 0.006°
• Cell volume: 7917 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2469
• Residual factor for significantly intense reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.418
• Weighted residual factors for all reflections included in the refinement: 0.4534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No