Information card for entry 7035234

Structure parameters

• Formula: C105 H86 N4 O2 Zn
• Calculated formula: C105 H86 N4 O2 Zn
• SMILES: [Zn]12([N](=Cc3c(O1)c(cc(c3)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc3ccccc3c1c1c3ccccc3ccc1N(C)C)[N](=Cc1c(O2)c(cc(c1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1N(C)C.Cc1ccccc1
• 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: 14.188 ± 0.002 Å
• b: 14.372 ± 0.002 Å
• c: 24.466 ± 0.005 Å
• α: 103.998 ± 0.005°
• β: 95.315 ± 0.005°
• γ: 112.577 ± 0.003°
• Cell volume: 4372.9 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.1262
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No