Information card for entry 4310559

Structure parameters

• Formula: C28 H32 I2 Lu N5 O
• Calculated formula: C28 H32 I2 Lu N5 O
• SMILES: O([Lu](I)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)C(C)C.[I-]
• Title of publication: Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding
• Authors of publication: Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1065 - 1070
• a: 16.993 ± 0.009 Å
• b: 13.044 ± 0.007 Å
• c: 14.664 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No