Information card for entry 7019788

Structure parameters

• Formula: C30 H32 Eu N11 O9
• Calculated formula: C30 H32 Eu N11 O9
• SMILES: O1N(=[O][Eu]234561([O]=N(=O)O2)([O]=N(=O)O3)[n]1c(c2[n]4c(ccc2)c2[n]5c(ccc2)c2nc3C(C)(C)CCC(C)(C)c3n[n]62)cccc1)=O.N#CC.C(#N)C
• Title of publication: Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning.
• Authors of publication: Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9209 - 9219
• a: 12.8212 ± 0.0003 Å
• b: 14.9805 ± 0.0004 Å
• c: 18.2654 ± 0.0005 Å
• α: 90°
• β: 102.155 ± 0.002°
• γ: 90°
• Cell volume: 3429.55 ± 0.16 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No