Information card for entry 4347850

Structure parameters

• Formula: C37.5 H29.5 Er F9 N7.5 O9 S3
• Calculated formula: C33 H22 Er F9 N6 O9 S3
• SMILES: c1c2c3cccc4[n]3[Er]35([n]6c4cccc6)(OS(=O)(=O)C(F)(F)F)([n]2ccc1)([n]1ccccc1c1cccc([n]31)c1[n]5cccc1)OS(=O)(=O)C(F)(F)F.FC(F)(S(=O)(=O)[O-])F
• Title of publication: Taming Lanthanide-Centered Upconversion at the Molecular Level.
• Authors of publication: Suffren, Yan; Golesorkhi, Bahman; Zare, Davood; Guénée, Laure; Nozary, Homayoun; Eliseeva, Svetlana V.; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 9964 - 9972
• a: 11.5807 ± 0.0002 Å
• b: 14.243 ± 0.0003 Å
• c: 27.0122 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4455.5 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No