Information card for entry 7050256

Structure parameters

• Formula: C21 H14 Er N7 O11
• Calculated formula: C21 H14 Er N7 O11
• SMILES: [Er]12345([n]6c(oc7ccccc67)c6[n]1c(ccc6)c1[n]2c2c(cccc2)o1)(ON(=[O]3)=O)(ON(=[O]4)=O)([N]#CC)ON(=O)=[O]5
• 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: 8.618 ± 0.009 Å
• b: 9.458 ± 0.012 Å
• c: 15.445 ± 0.017 Å
• α: 100.457 ± 0.01°
• β: 97.727 ± 0.01°
• γ: 94.181 ± 0.01°
• Cell volume: 1221 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No