Information card for entry 7018340

Structure parameters

• Common name: work
• Formula: C44 H67 O5 Yb
• Calculated formula: C44 H67 O5 Yb
• SMILES: [Yb](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.
• Authors of publication: Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3541 - 3552
• a: 9.7148 ± 0.0016 Å
• b: 19.483 ± 0.003 Å
• c: 12.344 ± 0.002 Å
• α: 90°
• β: 110.053 ± 0.011°
• γ: 90°
• Cell volume: 2194.7 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No