Information card for entry 4302882

Structure parameters

• Formula: C51 H23 F30 La N2 O10 S8
• Calculated formula: C51 H23 F30 La N2 O10 S8
• SMILES: C(C1=CC(C(F)(F)F)=[O][La]2345(O1)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]4)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]5)C(F)(F)F)(F)(F)F.C1=CSC(=C2SC(=CS2)/C=C/c2ccncc2)S1.C1=CSC(=C2SC=C(/C=C/c3ccncc3)S2)S1
• 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: 36.2646 ± 0.0013 Å
• b: 19.0458 ± 0.0008 Å
• c: 22.0307 ± 0.0004 Å
• α: 90°
• β: 115.236 ± 0.002°
• γ: 90°
• Cell volume: 13764.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No