Information card for entry 7039876

Structure parameters

• Formula: C40 H88 Cl8 N4 O4 Sc4
• Calculated formula: C40 H88 Cl8 N4 O4 Sc4
• Title of publication: Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.
• Authors of publication: Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13750 - 13765
• a: 11.5846 ± 0.0004 Å
• b: 18.8814 ± 0.0005 Å
• c: 13.1895 ± 0.0004 Å
• α: 90°
• β: 95.116 ± 0.002°
• γ: 90°
• Cell volume: 2873.49 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No