Information card for entry 4333678

Structure parameters

• Formula: C70 H38 F18 N2 Nd2 O14 S14
• Calculated formula: C68.024 H38 F18 N2 Nd2 O14 S14
• Title of publication: Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies
• Authors of publication: Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1398 - 1408
• a: 14.2823 ± 0.0003 Å
• b: 18.352 ± 0.0006 Å
• c: 19.0377 ± 0.0006 Å
• α: 90°
• β: 103.845 ± 0.002°
• γ: 90°
• Cell volume: 4845 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No