Information card for entry 7114427

Structure parameters

• Formula: C23 H26 I3 La N10
• Calculated formula: C23 H26 I3 La N10
• SMILES: [La]12345(I)(I)[N](Cc6[n]2ccnc6)(Cc2[n]3ccnc2)CCC[N]1(Cc1[n]4ccnc1)Cc1[n]5ccnc1.[I-]
• Title of publication: The important effect of ligand architecture on the selectivity of metal ion recognition in An(iii)/Ln(iii) separation with N-donor extractants
• Authors of publication: Karmazin, Lydia; Mazzanti, Marinella; Gateau, Christelle; Hill, Clément; Pécaut, Jacques
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2892 - 2893
• a: 17.6347 ± 0.0011 Å
• b: 9.9451 ± 0.0006 Å
• c: 17.9814 ± 0.0011 Å
• α: 90°
• β: 110.997 ± 0.001°
• γ: 90°
• Cell volume: 2944.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No