Information card for entry 7029661

Structure parameters

• Chemical name: tris(2,4-hexanedionate) mono(bathophenanthroline)erbium(III)
• Formula: C42 H43 Er N2 O6
• Calculated formula: C42 H43 Er N2 O6
• Title of publication: Effect of the capping ligand on luminescent erbium(iii) β-diketonate single-ion magnets.
• Authors of publication: Silva, M. Ramos; Martín-Ramos, P; Coutinho, J. T.; Pereira, L. C. J.; Martín-Gil, J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6752 - 6761
• a: 11.978 ± 0.0007 Å
• b: 12.418 ± 0.0007 Å
• c: 13.987 ± 0.0008 Å
• α: 102.863 ± 0.003°
• β: 94.026 ± 0.003°
• γ: 107.715 ± 0.003°
• Cell volume: 1910.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2141
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.293
• Weighted residual factors for all reflections included in the refinement: 0.3442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No