Information card for entry 4068263

Structure parameters

• Formula: C28 H43 La N4
• Calculated formula: C28 H43 La N4
• SMILES: [La]123([N]4(C)CC[N]1(C)CC(N2CC[N]13CCCC1)(C)C4)(Cc1ccccc1)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: 9.2008 ± 0.0008 Å
• b: 16.3686 ± 0.0015 Å
• c: 18.2607 ± 0.0017 Å
• α: 75.3451 ± 0.0015°
• β: 89.2363 ± 0.0015°
• γ: 82.9433 ± 0.0015°
• Cell volume: 2640.1 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No