Information card for entry 7055712

Structure parameters

• Chemical name: Hexa(2,4-nonanedionate)(2,2'-bipyrimidine)di-erbium(III)
• Formula: C31 H48 Er N2 O6
• Calculated formula: C31 H48 Er N2 O6
• Title of publication: Structure, luminescence and magnetic properties of an erbium(iii) β-diketonate homodinuclear complex
• Authors of publication: Martín-Ramos, P.; Pereira, L. C. J.; Coutinho, J. T.; Koprowiak, F.; Bolvin, H.; Lavín, V.; Martín, I. R.; Martín-Gil, J.; Silva, M. Ramos
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 8251
• a: 16.7455 ± 0.0006 Å
• b: 13.1161 ± 0.0004 Å
• c: 16.7312 ± 0.0006 Å
• α: 90°
• β: 110.758 ± 0.002°
• γ: 90°
• Cell volume: 3436.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No