Information card for entry 7219581

Structure parameters

• Formula: C60 H56 F10 N6 Zn2
• Calculated formula: C60 H56 F10 N6 Zn2
• SMILES: [Zn]12([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1)C#[N][Zn]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1)C#[N]2)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide
• Authors of publication: Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.7839 ± 0.0001 Å
• b: 28.2012 ± 0.0003 Å
• c: 20.4432 ± 0.0003 Å
• α: 90°
• β: 91.327 ± 0.001°
• γ: 90°
• Cell volume: 5639.13 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No