Information card for entry 4340923

Structure parameters

• Formula: C27 H38 N3 O8.5 Y
• Calculated formula: C27 H38 N3 O8.5 Y
• SMILES: N12O[Y]345([n]6c(C2=N(=O)C(C1(C)C)(C)C)cccc6)(OC(=CC(C)=[O]4)C)([O]=C(C=C(C)O5)C)OC(=CC(=[O]3)C)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: 27.5452 ± 0.0013 Å
• b: 14.5077 ± 0.0005 Å
• c: 19.3707 ± 0.001 Å
• α: 90°
• β: 114.902 ± 0.006°
• γ: 90°
• Cell volume: 7021.2 ± 0.6 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: 0.1025
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No