Information card for entry 4340924

Structure parameters

• Formula: C27 H38 N3 O8.5 Tb
• Calculated formula: C27 H38 N3 O8.5 Tb
• SMILES: N12O[Tb]345([n]6c(C2=N(=O)C(C1(C)C)(C)C)cccc6)(OC(=CC(=[O]3)C)C)(OC(=CC(C)=[O]4)C)OC(=CC(C)=[O]5)C.O
• Title of publication: Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.
• Authors of publication: Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9548 - 9560
• a: 27.5929 ± 0.0007 Å
• b: 14.5138 ± 0.0003 Å
• c: 19.357 ± 0.0006 Å
• α: 90°
• β: 114.947 ± 0.003°
• γ: 90°
• Cell volume: 7028.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0608
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No