Information card for entry 7711509

Structure parameters

• Formula: C64 H36 F36 N8 Nd0.96 O12 S6 Yb1.04
• Calculated formula: C64 H36 F36 N8 Nd0.96 O12 S6 Yb1.04
• 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: 22.2669 ± 0.0016 Å
• b: 12.6525 ± 0.0009 Å
• c: 33.194 ± 0.002 Å
• α: 90°
• β: 99.92 ± 0.002°
• γ: 90°
• Cell volume: 9212 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.4015
• Weighted residual factors for all reflections included in the refinement: 0.4374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.521
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No