Information card for entry 7038464

Structure parameters

• Formula: C68 H100 Hf I4 N4 O4
• Calculated formula: C56 H72 Hf I4 N4 O4
• SMILES: [Hf]1234(Oc5c(I)cc(I)cc5[C@H]5N6CCCC[C@H]6C[N]45Cc4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)Oc1c(I)cc(I)cc1[C@@H]1[N]2(C[C@H]2N1CCCC2)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C.[Hf]1234(Oc5c(I)cc(I)cc5[C@@H]5N6CCCC[C@@H]6C[N]45Cc4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)Oc1c(I)cc(I)cc1[C@H]1[N]2(C[C@@H]2N1CCCC2)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Aminopiperidine based complexes for lactide polymerisation.
• Authors of publication: McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5374 - 5387
• a: 54.9146 ± 0.0005 Å
• b: 35.8227 ± 0.0003 Å
• c: 13.3827 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26326.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No