Information card for entry 7235457

Structure parameters

• Formula: C45 H50 N6 O4 Zr
• Calculated formula: C45 H50 N6 O4 Zr
• Title of publication: Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes
• Authors of publication: Tsai, Chen-Yen; Du, Hong-Cyuan; Chang, Jen-Chieh; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14527
• a: 12.6426 ± 0.0007 Å
• b: 14.7525 ± 0.0009 Å
• c: 22.5448 ± 0.0013 Å
• α: 90°
• β: 90.487 ± 0.005°
• γ: 90°
• Cell volume: 4204.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.307
• Weighted residual factors for all reflections included in the refinement: 0.3388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No