Information card for entry 4087772

Structure parameters

• Formula: C35 H67 Al3 La2 N2
• Calculated formula: C35 H67 Al3 La2 N2
• SMILES: C12[H][La]3456([H]1)([H]C([Al](C([H]4)[H]5)(C)C)[H]3)[N]1([Al]2(C2[H][La]3451([H]2)([H]C([H]3)[Al](C)(C)C([H]4)[H]5)N6c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization
• Authors of publication: Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4994
• a: 12.8557 ± 0.0004 Å
• b: 19.8308 ± 0.0006 Å
• c: 20.7057 ± 0.0004 Å
• α: 90°
• β: 127.396 ± 0.001°
• γ: 90°
• Cell volume: 4193.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0458
• 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: No
• Has Fobs: No