Information card for entry 1520586

Structure parameters

• Formula: C32 H48 Hf N2 O4
• Calculated formula: C32 H48 Hf N2 O4
• SMILES: [Hf]123(OC(C)C)(OC(C)C)Oc4c(cc(cc4C)C)C[N]42CCC[C@@H]4[C@@H]2[N]3(CCC2)Cc2cc(cc(c2O1)C)C
• Title of publication: Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide
• Authors of publication: Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 5034
• a: 10.39461 ± 0.00005 Å
• b: 10.39461 ± 0.00005 Å
• c: 28.7569 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3107.12 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No