Information card for entry 4347599

Structure parameters

• Formula: C41 H59 Cl2 N3 O Si2 Zn
• Calculated formula: C41 H59 Cl2 N3 O Si2 Zn
• SMILES: [Zn]12([N]3([C@H](C[N]1(Cc1c(O2)c(Cl)cc(Cl)c1)Cc1ccccc1)CCC3)CCCC)N([Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.
• Authors of publication: Wang, Haobing; Yang, Yang; Ma, Haiyan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7356 - 7372
• a: 9.5402 ± 0.001 Å
• b: 18.245 ± 0.002 Å
• c: 24.821 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4320.4 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No