Information card for entry 4334262

Structure parameters

• Chemical name: [Eu(CyMe4-BTBP)2(NO3)](NO3)2.4EtOH.2H2O
• Formula: C72 H104 Eu N19 O15
• Calculated formula: C72 H100 Eu N19 O15
• SMILES: C1CC(c2c(C1(C)C)n[n]1c(n2)c2[n]3c(ccc2)c2[n]4c(ccc2)c2[n](nc5c(n2)C(CCC5(C)C)(C)C)[Eu]2567134(ON(=[O]2)=O)[n]1nc2c(C(CCC2(C)C)(C)C)nc1c1[n]5c(ccc1)c1[n]6c(ccc1)c1[n]7nc2c(n1)C(CCC2(C)C)(C)C)(C)C.O=N(=O)[O-].OCC.OCC.O.O=N(=O)[O-].OCC.OCC.O
• Title of publication: Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants
• Authors of publication: Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3429 - 3444
• a: 16.4128 ± 0.0006 Å
• b: 23.8916 ± 0.0006 Å
• c: 19.7838 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7757.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No