Information card for entry 7023126

Structure parameters

• Formula: C58 H72 N4 O4 Zn2
• Calculated formula: C58 H72 N4 O4 Zn2
• SMILES: C(COC)[N]1=Cc2ccccc2N(c2c(C(C)C)cccc2C(C)C)[Zn]21[O](Cc1ccccc1)[Zn]1([N](CCOC)=Cc3ccccc3N1c1c(C(C)C)cccc1C(C)C)[O]2Cc1ccccc1
• 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: 9.483 ± 0.0003 Å
• b: 12.595 ± 0.0004 Å
• c: 12.6403 ± 0.0004 Å
• α: 104.21 ± 0.001°
• β: 108.183 ± 0.001°
• γ: 103.929 ± 0.001°
• Cell volume: 1305.32 ± 0.07 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: 0.0386
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No