Information card for entry 7002553

Structure parameters

• Formula: C40 H52 F12 N4 O2 Zn2
• Calculated formula: C40 H52 F12 N4 O2 Zn2
• SMILES: c1cc(CN2CCC(CC2)[N]2=C(CC(C(F)(F)F)(C(F)(F)F)[O]3[Zn]4(CC)[O](C(C(F)(F)F)(C(F)(F)F)CC(C)=[N]4C4CCN(CC4)Cc4ccccc4)[Zn]23CC)C)ccc1
• 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: 12.3834 ± 0.0016 Å
• b: 12.9413 ± 0.0015 Å
• c: 14.1336 ± 0.0017 Å
• α: 90°
• β: 109.417 ± 0.004°
• γ: 90°
• Cell volume: 2136.2 ± 0.5 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No