Information card for entry 4302883

Structure parameters

• Formula: C66 H30 F48 N2 Nd2 O18 S8
• Calculated formula: C66 H26 F48 N2 Nd2 O18 S8
• Title of publication: 4-(2-Tetrathiafulvalenyl-ethenyl)pyridine (TTF-CH=CH-Py) Radical Cation Salts Containing Poly(β-diketonate) Rare Earth Complexes: Synthesis, Crystal Structure, Photoluminescent and Magnetic Properties
• Authors of publication: Fabrice Pointillart; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7421 - 7429
• a: 16.929 ± 0.0008 Å
• b: 17.4612 ± 0.0007 Å
• c: 20.1786 ± 0.0009 Å
• α: 97.421 ± 0.002°
• β: 109.498 ± 0.002°
• γ: 107.129 ± 0.002°
• Cell volume: 5199.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No