Information card for entry 7233198

Structure parameters

• Chemical name: tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(5-nitro-1,10-phenanthroline)erbium(III)
• Formula: C36 H36 Er F9 N3 O8
• Calculated formula: C36 H36 Er F9 N3 O8
• Title of publication: Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices
• Authors of publication: Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 2725 - 2734
• a: 14.2828 ± 0.0004 Å
• b: 16.986 ± 0.0005 Å
• c: 18.2384 ± 0.0005 Å
• α: 90°
• β: 109.558 ± 0.0011°
• γ: 90°
• Cell volume: 4169.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No