Information card for entry 1556379

Structure parameters

• Formula: C31 H39 N3 O Zn
• Calculated formula: C31 H39 N3 O Zn
• SMILES: [Zn]12([n]3ccccc3CN1C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)Oc1c(cccc1C)C
• Title of publication: Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide
• Authors of publication: Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3268
• a: 12.765 ± 0.006 Å
• b: 16.025 ± 0.014 Å
• c: 13.594 ± 0.01 Å
• α: 90°
• β: 98.6 ± 0.06°
• γ: 90°
• Cell volume: 2750 ± 3 ų
• Cell temperature: 99.97 ± 0.15 K
• Ambient diffraction temperature: 99.97 ± 0.15 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: 0.0544
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No