Information card for entry 7050253

Structure parameters

• Formula: C19 H18 La N6 O14.5
• Calculated formula: C19 H11 La N6 O14.5
• SMILES: [La]12345(ON(=O)=[O]1)(ON(=[O]2)=O)(ON(=O)=[O]3)([n]1c(cccc1c1[n]4c2c(o1)cccc2)c1[n]5c2c(cccc2)o1)([OH2])[OH2].O.O
• Title of publication: Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands
• Authors of publication: Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 462
• a: 33.77 ± 0.04 Å
• b: 8.9 ± 0.014 Å
• c: 21.83 ± 0.03 Å
• α: 90°
• β: 128.805 ± 0.01°
• γ: 90°
• Cell volume: 5113 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No