Information card for entry 4515597

Structure parameters

• Formula: C50 H86 N6 Zn2
• Calculated formula: C50 H86 N6 Zn2
• SMILES: CC1=CC(=[N](CCN(C(C)C)C(C)C)[Zn]23(N1c1c(cccc1C(C)C)C(C)C)[H][Zn]13([H]2)[N](=C(C)C=C(C)N1CCN(C(C)C)C(C)C)c1c(cccc1C(C)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: 21.7365 ± 0.0014 Å
• b: 14.2049 ± 0.001 Å
• c: 20.3579 ± 0.0013 Å
• α: 90°
• β: 102.81 ± 0.001°
• γ: 90°
• Cell volume: 6129.4 ± 0.7 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No