Information card for entry 7002554

Structure parameters

• Formula: C42 H42 F12 N2 O4 Zn2
• Calculated formula: C42 H42 F12 N2 O4 Zn2
• SMILES: C(c1ccccc1)[N]1=C(c2ccccc2)CC(C(F)(F)F)(C(F)(F)F)O[Zn]21[O](C(C)C)[Zn]1([N](Cc3ccccc3)=C(c3ccccc3)CC(C(F)(F)F)(C(F)(F)F)O1)[O]2C(C)C
• 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: 9.0679 ± 0.0008 Å
• b: 10.4866 ± 0.001 Å
• c: 11.6709 ± 0.0011 Å
• α: 93.584 ± 0.003°
• β: 95.307 ± 0.003°
• γ: 108.236 ± 0.003°
• Cell volume: 1044.63 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No