Information card for entry 4342866

Structure parameters

• Formula: C49 H39 Dy F18 N4 O6 S6
• Calculated formula: C49 H39 Dy F18 N4 O6 S6
• SMILES: CCCSC1=C(SCCC)SC(S1)=C1Sc2c(cc3c(c2)nc2c(c4c5c6c2ccc[n]6[Dy]267([n]5ccc4)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]6)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]7)C(F)(F)F)n3)S1.CCCCCC
• Title of publication: Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand.
• Authors of publication: Pointillart, Fabrice; Jung, Julie; Berraud-Pache, Romain; Le Guennic, Boris; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Maury, Olivier; Guyot, Yannick; Decurtins, Silvio; Liu, Shi-Xia; Ouahab, Lahcène
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5384 - 5397
• a: 22.0242 ± 0.0019 Å
• b: 32.654 ± 0.003 Å
• c: 21.569 ± 0.002 Å
• α: 90°
• β: 128.919 ± 0.003°
• γ: 90°
• Cell volume: 12069 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2225
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No