Information card for entry 4315041

Structure parameters

• Formula: C50 H70 F2 N4 O4 Zn2
• Calculated formula: C50 H70 F2 N4 O4 Zn2
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)C=[N](CCN(C)C)[Zn]1(O2)[O](c2ccc(cc2)F)[Zn]23(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]2CC[N]3(C)C)[O]1c1ccc(cc1)F
• Title of publication: Ring-Opening Polymerization of Lactides Catalyzed by Natural Amino-Acid Based Zinc Catalysts
• Authors of publication: Donald J. Darensbourg; Osit Karroonnirun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2360 - 2371
• a: 12.128 ± 0.012 Å
• b: 21.45 ± 0.02 Å
• c: 20.25 ± 0.02 Å
• α: 90°
• β: 105.529 ± 0.012°
• γ: 90°
• Cell volume: 5076 ± 9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.1435
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No