Information card for entry 4085082

Structure parameters

• Formula: C19 H32 N Y
• Calculated formula: C19 H32 N Y
• SMILES: [c]12([c]3([c]45[c]6([c]1(C)[Y]17892356([CH2]=[CH]1C7)(C[CH]8=[CH2]9)[N](CC4)(C)C)C)C)C
• Title of publication: Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization
• Authors of publication: Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 32
• a: 8.4644 ± 0.0004 Å
• b: 13.9975 ± 0.0005 Å
• c: 8.5546 ± 0.0004 Å
• α: 90°
• β: 114.26 ± 0.003°
• γ: 90°
• Cell volume: 924.05 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No