Information card for entry 7114046

Structure parameters

• Common name: 02080
• Formula: C25 H48 Cl2 N4 O3 Zn2
• Calculated formula: C25 H48 Cl2 N4 O3 Zn2
• SMILES: [Zn]123(Cl)[O]4[Zn]5(Cl)([O]1CC)[N](Cc1cc(cc(c41)C[N]2(C)CC[N]3(C)C)C)(C)CC[N]5(C)C.O1CCCC1
• Title of publication: Metalloenzyme inspired dizinc catalyst for the polymerization of lactide
• Authors of publication: Williams, Charlotte K.; Brooks, Neil R.; Hillmyer, Marc A.; Tolman, William B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2132
• a: 17.3944 ± 0.0017 Å
• b: 14.6134 ± 0.0014 Å
• c: 11.9982 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No