Information card for entry 4301947

Structure parameters

• Formula: C26 H20 F15 Nd O7
• Calculated formula: C26 H20 F15 Nd O7
• SMILES: [Nd]12(Oc3c(F)c(F)c(F)c(F)c3F)(Oc3c(F)c(F)c(F)c(F)c3F)(Oc3c(F)c(F)c(F)c(F)c3F)([O](C)CC[O]1C)[O](C)CC[O]2C
• Title of publication: Lanthanide Compounds with Fluorinated Aryloxide Ligands: Near-Infrared Emission from Nd, Tm, and Er
• Authors of publication: Norton, Kieran; Kumar, G. A.; Dilks, Jennifer L.; Emge, Thomas J.; Riman, Richard E.; Brik, Mikhail G.; Brennan, John G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 3573 - 3580
• a: 10.3931 ± 0.0002 Å
• b: 13.1499 ± 0.0003 Å
• c: 44.9701 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6146 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No