Information card for entry 4515595

Structure parameters

• Formula: C22.5 H38.5 N3 Zn
• Calculated formula: C22.5 H38.5 N3 Zn
• 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: 14.8856 ± 0.0003 Å
• b: 21.731 ± 0.0004 Å
• c: 16.0804 ± 0.0002 Å
• α: 90°
• β: 113.482 ± 0.001°
• γ: 90°
• Cell volume: 4770.9 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0408
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No