Information card for entry 7006507

Structure parameters

• Formula: C46 H78 O8 Sm
• Calculated formula: C46 H78 O8 Sm
• SMILES: [Sm](Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C)(Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.
• Authors of publication: Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 802 - 812
• a: 16.019 ± 0.003 Å
• b: 15.34 ± 0.003 Å
• c: 19.799 ± 0.01 Å
• α: 90°
• β: 94.1 ± 0.03°
• γ: 90°
• Cell volume: 4853 ± 3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.135
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections: 1.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No