Information card for entry 7706847

Structure parameters

• Formula: C66 H84 O14 Yb2
• Calculated formula: C66 H84 O14 Yb2
• SMILES: [Yb]12345([O]=C(C=C(O1)C(C)(C)C)c1cc(C6=[O][Yb]78(OC(=CC(=[O]7)c7cc(C(C=C(O3)C(C)(C)C)=[O]5)ccc7)C(C)(C)C)([O]=C(C=C(O8)C(C)(C)C)c3cc(C(=[O]4)C=C(O2)C(C)(C)C)ccc3)(OC(=C6)C(C)(C)C)[O]=C(C)C)ccc1)[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: 17.9451 ± 0.0004 Å
• b: 24.2009 ± 0.0005 Å
• c: 15.9799 ± 0.0003 Å
• α: 90°
• β: 104.853 ± 0.002°
• γ: 90°
• Cell volume: 6708 ± 0.2 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: 0.0663
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No