Information card for entry 4078986

Structure parameters

• Formula: C26 H52 N3 O Si2 Y
• Calculated formula: C26 H52 N3 O Si2 Y
• SMILES: C1CCC[N]21Cc1ccc3C[N]4(CCCC4)[Y]2(C[Si](C)(C)C)(C[Si](C)(C)C)(n13)[O]1CCCC1
• Title of publication: NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene
• Authors of publication: Wang, Lingfang; Liu, Dongtao; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6014
• a: 17.363 ± 0.0017 Å
• b: 10.3511 ± 0.001 Å
• c: 18.2635 ± 0.0018 Å
• α: 90°
• β: 109.731 ± 0.001°
• γ: 90°
• Cell volume: 3089.7 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No