Information card for entry 7029554

Structure parameters

• Formula: C58 H89 Er N4 O Si
• Calculated formula: C58 H89 Er N4 O Si
• SMILES: [Er]12([O]3CCCC3)(N(c3c(C(C)C)cccc3C(C)C)C=[N]1c1c(C(C)C)cccc1C(C)C)(N(c1c(C(C)C)cccc1C(C)C)C=[N]2c1c(C(C)C)cccc1C(C)C)C[Si](C)(C)C
• 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: 13.826 ± 0.002 Å
• b: 21.926 ± 0.003 Å
• c: 23.051 ± 0.003 Å
• α: 100.028 ± 0.002°
• β: 100.543 ± 0.002°
• γ: 106.367 ± 0.002°
• Cell volume: 6400.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No