Information card for entry 7060879

Structure parameters

• Common name: [Nd(L)3(4,4'-dimethoxy-bipy)]
• Formula: C54 H36 F9 N2 Nd O8
• Calculated formula: C54 H36 F9 N2 Nd O8
• SMILES: [Nd]1234([n]5c(cc(OC)cc5)c5[n]1ccc(OC)c5)([O]=C(C(F)(F)F)C=C(O2)c1cc2ccccc2cc1)(OC(=CC(=[O]3)c1cc2ccccc2cc1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)c1cc2ccccc2cc1
• Title of publication: Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands
• Authors of publication: Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14713 - 14723
• a: 13.2116 ± 0.0003 Å
• b: 14.6432 ± 0.0004 Å
• c: 24.8311 ± 0.0006 Å
• α: 90°
• β: 98.898 ± 0.001°
• γ: 90°
• Cell volume: 4746 ± 0.2 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No