Information card for entry 4068266

Structure parameters

• Formula: C60 H78 La2 N8
• Calculated formula: C60 H78 La2 N8
• SMILES: C[N]12[La]345(C#Cc6ccccc6)([N](C)(CC1)CC(C2)(C)N3CC[N]14CCCC1)[C](#Cc1ccccc1)[La]123([N]4(C)CC[N]1(C)CC(C)(C4)N2CC[N]13CCCC1)([C]5#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Scandium, Yttrium, and Lanthanum Benzyl and Alkynyl Complexes with theN-(2-Pyrrolidin-1-ylethyl)-1,4-diazepan-6-amido Ligand: Synthesis, Characterization, andZ-Selective Catalytic Linear Dimerization of Phenylacetylenes
• Authors of publication: Ge, Shaozhong; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 719
• a: 13.8365 ± 0.0016 Å
• b: 14.4305 ± 0.0016 Å
• c: 14.215 ± 0.0016 Å
• α: 90°
• β: 92.3806 ± 0.0017°
• γ: 90°
• Cell volume: 2835.8 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No