Information card for entry 7114429

Structure parameters

• Formula: C30 H36 I3 La N14
• Calculated formula: C30 H24 I3 La N14
• SMILES: [La]12345(I)([N](Cc6[n]2ccnc6)(Cc2[n]3ccnc2)CC[N]1(Cc1[n]4ccnc1)Cc1[n]5ccnc1)([N]#CC)[N]#CC.[I-].[I-].N#CC.N#CC
• 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: 11.4266 ± 0.0016 Å
• b: 14.839 ± 0.002 Å
• c: 22.916 ± 0.003 Å
• α: 90°
• β: 93.065 ± 0.003°
• γ: 90°
• Cell volume: 3880.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No