Information card for entry 4066191

Structure parameters

• Formula: C48 H46 N4 Zn
• Calculated formula: C48 H46 N4 Zn
• SMILES: [Zn]12(c3c(cccc3/C=N/c3c(cccc3C)C)C=[N]1c1c(C)cccc1C)c1c(C=[N]2c2c(C)cccc2C)cccc1/C=N/c1c(cccc1C)C
• Title of publication: Bis(imino)aryl NCN Pincer Aluminum and Zinc Complexes: Synthesis, Characterization, and Catalysis onl-Lactide Polymerization
• Authors of publication: Liu, Zhizhou; Gao, Wei; Zhang, Jingshun; Cui, Dongmei; Wu, Qiaolin; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5783
• a: 17.206 ± 0.002 Å
• b: 26.647 ± 0.003 Å
• c: 18.022 ± 0.002 Å
• α: 90°
• β: 92.151 ± 0.002°
• γ: 90°
• Cell volume: 8257.1 ± 1.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 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: 0.1538
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No