Information card for entry 7706873

Structure parameters

• Formula: C29 H41 Cl O Zr
• Calculated formula: C29 H41 Cl O Zr
• SMILES: [Zr]1234567(Cl)(Oc8c(cc(cc8C(C)(C)C)C)C(C)(C)C)[c]8([c]1([c]2([c]13[c]4([c]5([c]6([c]781)C)C)C)C)C)C
• Title of publication: Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.
• Authors of publication: Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4805 - 4818
• a: 16.1146 ± 0.0001 Å
• b: 9.9705 ± 0.0001 Å
• c: 16.576 ± 0.0001 Å
• α: 90°
• β: 90.68 ± 0.001°
• γ: 90°
• Cell volume: 2663.09 ± 0.04 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: 0.024
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No