Information card for entry 4316198

Structure parameters

• Formula: C38 H64 Hf N2 O4
• Calculated formula: C38 H64 Hf N2 O4
• SMILES: [Hf]123(OC(C)C)([N](=Cc4c(O2)c(ccc4)C)CC[N]1(C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)OC(C)C.CCCCCC
• 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: 11.052 ± 0.0001 Å
• b: 24.775 ± 0.0003 Å
• c: 14.502 ± 0.0002 Å
• α: 90°
• β: 97.668 ± 0.001°
• γ: 90°
• Cell volume: 3935.33 ± 0.08 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: 0.0544
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No