Information card for entry 7043903

Structure parameters

• Formula: C44 H52 N7 O11 Tb
• Calculated formula: C44 H52 N7 O11 Tb
• SMILES: [C@@H]1(C[C@H]([C@@H](CC1)C(C)C)Oc1[n]2c3c(cc1)ccc1ccc[n](c31)[Tb]13452([O]=N(=O)O1)(ON(=[O]5)=O)([n]1c(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)ccc2ccc5ccc[n]3c5c12)[O]=N(=O)O4)C
• Title of publication: Ln(III) complexes (Ln = Eu, Gd, Tb, Dy) with chiral ligand containing 1,10-phenanthroline and (‒)-menthol fragments: synthesis, structure, magnetic properties and photoluminescence
• Authors of publication: Larionov, Stanislav V.; Bryleva, Yuliya; Glinskaya, Ludmila Alexsandrovna; Plyusnin, Victor F.; Kupryakov, Arkady S.; Agafontsev, Alexander; Tkachev, Alexey V.; Bogomyakov, Artem Stepanovich; Piryazev, Dmitry A.; Korolkov, Ilya V.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.1768 ± 0.0003 Å
• b: 12.1768 ± 0.0003 Å
• c: 30.2213 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4481 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No