Information card for entry 4348852

Structure parameters

• Formula: C31 H48 N2 O2 Zn
• Calculated formula: C31 H48 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(C[N]2([C@H]2CCCC[C@@H]2[N]1(C)C)C)cc(cc3C(C)(C)C)C(C)(C)C)OCc1ccccc1.[Zn]12(Oc3c(C[N]2([C@@H]2CCCC[C@H]2[N]1(C)C)C)cc(cc3C(C)(C)C)C(C)(C)C)OCc1ccccc1
• Title of publication: The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.
• Authors of publication: Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9445 - 9453
• a: 11.8172 ± 0.0005 Å
• b: 15.9905 ± 0.0009 Å
• c: 16.8567 ± 0.0009 Å
• α: 89.993 ± 0.001°
• β: 82.361 ± 0.002°
• γ: 72.89 ± 0.001°
• Cell volume: 3014.7 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No