Information card for entry 7018332

Structure parameters

• Common name: LaDME
• Formula: C44 H71 La O7
• Calculated formula: C44 H71 La O7
• SMILES: [La]12(Oc3c(cccc3C(C)C)C(C)C)(Oc3c(cccc3C(C)C)C(C)C)(Oc3c(cccc3C(C)C)C(C)C)([O](CC[O]1C)C)[O](CC[O]2C)C
• 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: 13.1036 ± 0.0002 Å
• b: 13.4935 ± 0.0003 Å
• c: 25.6718 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4539.12 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No