Information card for entry 7026172

Structure parameters

• Formula: C41 H55 N3 O Zn
• Calculated formula: C41 H55 N3 O Zn
• SMILES: [Zn]12(CC)[N](CC[N]1(C)C)(Cc1cc(ccc1N(C)C)C)Cc1cc(cc(c1O2)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• Title of publication: Zinc complexes supported by multidentate aminophenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide.
• Authors of publication: Wang, Liying; Ma, Haiyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7897 - 7910
• a: 8.2877 ± 0.0011 Å
• b: 13.4436 ± 0.0018 Å
• c: 18.389 ± 0.002 Å
• α: 110.487 ± 0.001°
• β: 90.143 ± 0.002°
• γ: 100.628 ± 0.002°
• Cell volume: 1881.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No