Information card for entry 4515594

Structure parameters

• Formula: C39 H49 N3 O Si Zn
• Calculated formula: C39 H49 N3 O Si Zn
• SMILES: [Zn]12(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)N(C(=CC(=[N]1CC[N]2(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
• Authors of publication: Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 4710
• a: 8.8505 ± 0.0009 Å
• b: 21.914 ± 0.002 Å
• c: 19.0059 ± 0.0018 Å
• α: 90°
• β: 100.646 ± 0.002°
• γ: 90°
• Cell volume: 3622.7 ± 0.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0636
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No