Information card for entry 7054972

Structure parameters

• Formula: C48 H90 N4 O2 Si4 Y2
• Calculated formula: C48 H90 N4 O2 Si4 Y2
• SMILES: [O]12[Y](=C3N(c4ccccc4N3C[C@@H]1CCCC)C(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1[Y]2(=C2N(c3ccccc3N2C[C@H]1CCCC)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization
• Authors of publication: Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7682
• a: 13.3583 ± 0.0013 Å
• b: 14.9883 ± 0.0015 Å
• c: 14.5687 ± 0.0015 Å
• α: 90°
• β: 91.521 ± 0.002°
• γ: 90°
• Cell volume: 2915.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1091
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No