Information card for entry 7035235

Structure parameters

• Formula: C53 H61 N3 O Si2 Zn
• Calculated formula: C53 H61 N3 O Si2 Zn
• SMILES: [Zn]1([N](=Cc2c(O1)c(cc(c2)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)c1ccc2ccccc2c1c1c(N(C)C)ccc2ccccc12)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate catalyzed by magnesium and zinc complexes derived from binaphthyl-based iminophenolate ligands.
• Authors of publication: Huang, Miao; Pan, Chen; Ma, Haiyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12420 - 12431
• a: 9.1425 ± 0.0008 Å
• b: 14.6284 ± 0.0012 Å
• c: 18.6227 ± 0.0016 Å
• α: 83.526 ± 0.002°
• β: 88.281 ± 0.002°
• γ: 87.762 ± 0.002°
• Cell volume: 2472 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No