Information card for entry 7002551

Structure parameters

• Formula: C34 H36 F12 N2 O2 Zn
• Calculated formula: C34 H36 F12 N2 O2 Zn
• SMILES: [Zn]12(OC(C(F)(F)F)(C(F)(F)F)CC(c3ccccc3)=[N]1C1CCCCC1)OC(C(F)(F)F)(C(F)(F)F)CC(c1ccccc1)=[N]2C1CCCCC1
• Title of publication: Zinc complexes of fluorous alkoxide-imino ligands: Synthesis, structure, and use in ring-opening polymerization of lactide and β-butyrolactone
• Authors of publication: Grunova, Ekaterina; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9010 - 9019
• a: 11.3204 ± 0.0005 Å
• b: 13.5253 ± 0.0005 Å
• c: 22.0649 ± 0.0009 Å
• α: 90°
• β: 90.378 ± 0.002°
• γ: 90°
• Cell volume: 3378.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No