Information card for entry 4068262

Structure parameters

• Formula: C28 H43 N4 Y
• Calculated formula: C28 H43 N4 Y
• SMILES: [Y]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: 9.2345 ± 0.001 Å
• b: 16.4721 ± 0.0017 Å
• c: 18.0513 ± 0.0019 Å
• α: 75.5247 ± 0.0016°
• β: 88.9232 ± 0.0017°
• γ: 82.6102 ± 0.0017°
• Cell volume: 2636.3 ± 0.5 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: 0.0575
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No