Information card for entry 4348812

Structure parameters

• Formula: C70 H116 N4 O8 Sm2
• Calculated formula: C70 H116 N4 O8 Sm2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)=[N](c2c(C(C)C)cccc2C(C)C)[Sm]231([O](C)CC[O]2C)[O](C)[Sm]12([N](c4c(cccc4C(C)C)C(C)C)=C(C(=[N]2c2c(C(C)C)cccc2C(C)C)C)(C))([O](C)CC[O]1C)[O]3C)C.O(CCOC)C
• Title of publication: Activation of Ene-Diamido Samarium Methoxide with Hydrosilane for Selectively Catalytic Hydrosilylation of Alkenes and Polymerization of Styrene: an Experimental and Theoretical Mechanistic Study.
• Authors of publication: Li, Jianfeng; Zhao, Chaoyue; Liu, Jinxi; Huang, Hanmin; Wang, Fengxin; Xu, Xiufang; Cui, Chunming
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9105 - 9111
• a: 14.121 ± 0.003 Å
• b: 16.241 ± 0.003 Å
• c: 16.42 ± 0.004 Å
• α: 90°
• β: 107.644 ± 0.003°
• γ: 90°
• Cell volume: 3588.6 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No