Information card for entry 4301949

Structure parameters

• Formula: C38 H20 Er F15 N4 O3
• Calculated formula: C38 H20 Er F15 N4 O3
• SMILES: [Er](Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• 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: 11.9793 ± 0.0006 Å
• b: 15.5793 ± 0.0008 Å
• c: 20.0303 ± 0.001 Å
• α: 90°
• β: 90.471 ± 0.001°
• γ: 90°
• Cell volume: 3738.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No