Information card for entry 4063831

Structure parameters

• Formula: C42 H76 N2 O Si3 Y
• Calculated formula: C42 H77 N2 O Si3 Y
• SMILES: [Y]1([N](=C(CN1c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands
• Authors of publication: Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 160
• a: 18.837 ± 0.003 Å
• b: 12.872 ± 0.002 Å
• c: 38.991 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9454 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No