Information card for entry 7706844

Structure parameters

• Formula: C66 H83 Eu2 O14
• Calculated formula: C66 H83 Eu2 O14
• SMILES: [Eu]12345(OC(=CC(=[O]3)c3cc(C6=[O][Eu]78([O]=C(C=C(O7)C(C)(C)C)c7cccc(C(=CC(=[O]2)C(C)(C)C)O5)c7)([O]=C(C=C(O8)C(C)(C)C)c2cccc(C(=[O]1)C=C(O4)C(C)(C)C)c2)(OC(=C6)C(C)(C)C)[O]=C(C)C)ccc3)C(C)(C)C)[O]=C(C)C
• Title of publication: Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.
• Authors of publication: Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4874 - 4879
• a: 17.898 ± 0.003 Å
• b: 24.235 ± 0.005 Å
• c: 16.184 ± 0.004 Å
• α: 90°
• β: 105.24 ± 0.019°
• γ: 90°
• Cell volume: 6773 ± 3 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• 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: 0.1473
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No