Information card for entry 7029557

Structure parameters

• Formula: C58 H89 N4 Nd O Si
• Calculated formula: C58 H89 N4 Nd O Si
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=CN(c2c(cccc2C(C)C)C(C)C)[Nd]21([N](c1c(cccc1C(C)C)C(C)C)=CN2c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)[O]1CCCC1
• Title of publication: Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.
• Authors of publication: Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6842 - 6847
• a: 13.9414 ± 0.0009 Å
• b: 16.8128 ± 0.0012 Å
• c: 28.3865 ± 0.0019 Å
• α: 90°
• β: 92.174 ± 0.001°
• γ: 90°
• Cell volume: 6648.8 ± 0.8 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: 0.1143
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No