Information card for entry 7039875

Structure parameters

• Formula: C32 H72 N4 Na O2 Sc
• Calculated formula: C32 H72 N4 Na O2 Sc
• SMILES: C(C)(C)[N]1(C(C)C)[Sc](N(C(C)C)C(C)C)([N]([Na]1([O]1CCCC1)[O]1CCCC1)(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: 12.8672 ± 0.0005 Å
• b: 14.8525 ± 0.0005 Å
• c: 19.3804 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3703.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No