Information card for entry 7023127

Structure parameters

• Formula: C44 H58 N4 O2 Zn
• Calculated formula: C44 H58 N4 O2 Zn
• SMILES: [Zn]12(N(c3ccccc3C=[N]1CCOC)c1c(C(C)C)cccc1C(C)C)[N](=Cc1ccccc1N2c1c(C(C)C)cccc1C(C)C)CCOC
• Title of publication: Synthesis and structural determination of zinc complexes based on an anilido-aldimine ligand containing an O-donor pendant arm: zinc alkoxide derivative as an efficient initiator for ring-opening polymerization of cyclic esters.
• Authors of publication: Wang, Chao-Hsiang; Li, Chen-Yu; Huang, Bor-Hunn; Lin, Chu-Chieh; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10875 - 10884
• a: 10.6979 ± 0.0002 Å
• b: 13.3403 ± 0.0002 Å
• c: 14.2243 ± 0.0002 Å
• α: 92.692 ± 0.001°
• β: 96.992 ± 0.001°
• γ: 104.565 ± 0.001°
• Cell volume: 1943.78 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No