Information card for entry 4087781

Structure parameters

• Formula: C62 H96 La2 N6 Si2
• Calculated formula: C62 H96 La2 N6 Si2
• SMILES: [c]12([c]3([c]4([c]([c]15C)(C)[La]12345(N(c2c(cccc2C(C)C)C(C)C)[La]2345([c]6([c]4([c]5([c]3([c]26C)C)C)[Si](C)(C)C)C)(N1c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1)C)C)[Si](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: 12.3792 ± 0.0002 Å
• b: 13.3141 ± 0.0002 Å
• c: 18.8022 ± 0.0003 Å
• α: 90°
• β: 99.003 ± 0.0009°
• γ: 90°
• Cell volume: 3060.76 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No