Information card for entry 7233510

Structure parameters

• Chemical name: Tris(2,6-dimethyl-3,5-heptanedionate) mono(bathophenanthroline)erbium(III)
• Formula: C51 H61 Er N2 O6
• Calculated formula: C51 H61 Er N2 O6
• Title of publication: Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping
• Authors of publication: P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 5701 - 5710
• a: 14.3822 ± 0.0004 Å
• b: 15.6172 ± 0.0005 Å
• c: 23.5197 ± 0.0006 Å
• α: 90°
• β: 105.38 ± 0.0014°
• γ: 90°
• Cell volume: 5093.6 ± 0.3 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: 0.0709
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No