Information card for entry 7008939

Structure parameters

• Formula: C36 H33 Er N12 O10
• Calculated formula: C36 H31 Er N12 O10
• SMILES: [Er]12345([OH2])(ON(=[O]1)=O)(ON(=O)=[O]2)(ON(=O)=[O]3)[n]1c(cccc1)c1[n]4c(ccc1)c1[n]5cccc1.n1c(cccc1c1ncccc1)c1ncccc1.N#CC.N#CC.CC#N
• Title of publication: Separation of americium(III) from europium(III) with tridentate heterocyclic nitrogen ligands and crystallographic studies of complexes formed by 2,2'∶6',2″-terpyridine with the lanthanides
• Authors of publication: Drew, Michael G. B.; Iveson, Peter B.; Hudson, Michael J.; Liljenzin, Jan Olov; Spjuth, Lena; Cordier, Pierre-Yves; Enarsson, Åsa; Hill, Clément; Madic, Charles
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 821
• a: 10.017 ± 0.012 Å
• b: 14.742 ± 0.017 Å
• c: 14.936 ± 0.017 Å
• α: 69.486 ± 0.01°
• β: 78.106 ± 0.01°
• γ: 79.783 ± 0.01°
• Cell volume: 2008 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.442
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No