Information card for entry 7039866

Structure parameters

• Formula: C20 H44 Cl N2 O2 Sc
• Calculated formula: C20 H44 Cl N2 O2 Sc
• SMILES: [Sc](Cl)([O]1CCCC1)([O]1CCCC1)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• 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: 9.812 ± 0.0001 Å
• b: 24.1902 ± 0.0003 Å
• c: 12.481 ± 0.0002 Å
• α: 90°
• β: 126.593 ± 0.001°
• γ: 90°
• Cell volume: 2378.5 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No