Information card for entry 7018333

Structure parameters

• Common name: SQ
• Formula: C56 H91 Nd O8
• Calculated formula: C48 H75 Nd O6
• SMILES: [Nd](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)[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: 25.234 ± 0.002 Å
• b: 22.3796 ± 0.0015 Å
• c: 20.028 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11310.3 ± 1.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No