Information card for entry 7018341

Structure parameters

• Common name: Refine
• Formula: C44 H71 O7 Y
• Calculated formula: C44 H71 O7 Y
• SMILES: [Y]1(Oc2c(cccc2C(C)C)C(C)C)(Oc2c(cccc2C(C)C)C(C)C)(Oc2c(cccc2C(C)C)C(C)C)([O](CCOC)C)[O](C)CC[O]1C
• 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: 14.373 ± 0.002 Å
• b: 19.227 ± 0.002 Å
• c: 16.652 ± 0.002 Å
• α: 90°
• β: 90.782 ± 0.009°
• γ: 90°
• Cell volume: 4601.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0637
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.712 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No