Information card for entry 7054969

Structure parameters

• Formula: C40 H86 N4 O2 Si4 Y2
• Calculated formula: C40 H86 N4 O2 Si4 Y2
• SMILES: [Y]12([O]3[Y]([O]1[C@H](CCCC)CN1C=2N(C=C1)C(C)C)(=C1N(C[C@@H]3CCCC)C=CN1C(C)C)(C[Si](C)(C)C)C[Si](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: 25.04 ± 0.003 Å
• b: 10.6891 ± 0.001 Å
• c: 20.951 ± 0.002 Å
• α: 90°
• β: 103.216 ± 0.002°
• γ: 90°
• Cell volume: 5459.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No