Information card for entry 7714422

Structure parameters

• Formula: C35 H37 N3 O7.5 Yb
• Calculated formula: C35 H37 N3 O7.5 Yb
• SMILES: [Yb]1234(OC(=O)c5[n]3c3c(cc5)cccc3)([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[n]1cccc2ccc3ccc[n]4c3c12.OCC.OCC
• Title of publication: Novel Stable Ytterbium Acetylacetonate-Quinaldinate Complexes as Single-Molecule Magnets and Surprisingly Efficient Luminophores
• Authors of publication: Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Taydakov, Ilya V.; Metlin, Mikhail T.; Datskevitch, Nikolay; Buzoverov, Mikhail E.; Babeshkin, Konstantin Andreevich; Efimov, N. N.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.9925 ± 0.0004 Å
• b: 12.1587 ± 0.0004 Å
• c: 26.1155 ± 0.0008 Å
• α: 101.618 ± 0.001°
• β: 92.067 ± 0.001°
• γ: 118.493 ± 0.001°
• Cell volume: 3239.33 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No