Information card for entry 7018335

Structure parameters

• Common name: Nd structure
• Formula: C55 H83 Nd O6
• Calculated formula: C55 H83 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.c1(ccccc1)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: 10.937 ± 0.0004 Å
• b: 35.5722 ± 0.0015 Å
• c: 13.3069 ± 0.0006 Å
• α: 90°
• β: 95.671 ± 0.002°
• γ: 90°
• Cell volume: 5151.8 ± 0.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No