Information card for entry 1504354

Structure parameters

• Formula: C41 H22 F18 N5 O6 Sm
• Calculated formula: C41 H22 F18 N5 O6 Sm
• SMILES: [Sm]12345(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)([n]1cccc2ccc3ccc[n]4c3c12)[n]1cccc2ccc3ccc[n]5c3c12.N#CC
• Title of publication: Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.
• Authors of publication: Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 5
• Pages of publication: 803 - 807
• a: 11.69 ± 0.002 Å
• b: 19.656 ± 0.004 Å
• c: 20.63 ± 0.005 Å
• α: 90°
• β: 93.412 ± 0.008°
• γ: 90°
• Cell volume: 4731.9 ± 1.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No