Information card for entry 4316194

Structure parameters

• Formula: C39 H64 N2 O4 Zr
• Calculated formula: C39 H64 N2 O4 Zr
• Title of publication: Group 4 Salalen Complexes and Their Application for the Ring-Opening Polymerization of rac-Lactide
• Authors of publication: Emma L. Whitelaw; Matthew D. Jones; Mary F. Mahon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7176 - 7181
• a: 14.667 ± 0.0002 Å
• b: 21.185 ± 0.0004 Å
• c: 14.048 ± 0.0003 Å
• α: 90°
• β: 114.037 ± 0.001°
• γ: 90°
• Cell volume: 3986.48 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No