Information card for entry 7039879

Structure parameters

• Formula: C28 H64 Lu N4 Na O
• Calculated formula: C28 H64 Lu N4 Na O
• SMILES: C1CCC[O]1[Na]1[N](C(C)C)(C(C)C)[Lu](N(C(C)C)C(C)C)([N]1(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: 15.7468 ± 0.0006 Å
• b: 20.6709 ± 0.0007 Å
• c: 20.8642 ± 0.0007 Å
• α: 90°
• β: 93.719 ± 0.002°
• γ: 90°
• Cell volume: 6777 ± 0.4 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 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: 0.0237
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0447
• 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