Information card for entry 4087770

Structure parameters

• Formula: C35 H67 Al3 Ce2 N2
• Calculated formula: C35 H67 Al3 Ce2 N2
• SMILES: [Ce]123([N]([Ce]4(N1c1c(cccc1C(C)C)C(C)C)[CH3][Al]([CH3]4)(C)C)([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C)[H]C[Al](C[H]2)(C[H]3)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: 10.072 ± 0.0002 Å
• b: 11.0954 ± 0.0002 Å
• c: 18.5984 ± 0.0004 Å
• α: 82.094 ± 0.001°
• β: 84.604 ± 0.001°
• γ: 88.641 ± 0.001°
• Cell volume: 2049.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No