Information card for entry 4301337

Structure parameters

• Formula: C28 H26 F9 Lu N6 O10 S3
• Calculated formula: C28 H26 F9 Lu N6 O10 S3
• SMILES: [Lu]12([n]3c(c4[n]1c1ccccc1n4CC)cccc3c1[n]2c2ccccc2n1CC)([N]#CC)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[OH2]
• Title of publication: Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints
• Authors of publication: Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1132 - 1147
• a: 8.1253 ± 0.0004 Å
• b: 22.0172 ± 0.0011 Å
• c: 20.4872 ± 0.0012 Å
• α: 90°
• β: 100.471 ± 0.007°
• γ: 90°
• Cell volume: 3604.1 ± 0.3 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 ± 2 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.442
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No