Information card for entry 7219579

Structure parameters

• Formula: C48 H58 N6 O2 Zn2
• Calculated formula: C48 H58 N6 O2 Zn2
• SMILES: C1(=[N](c2c(cccc2)C#N)[Zn]2(N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)[OH][Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1)C#N)[OH]2)C
• 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: 9.7845 ± 0.0003 Å
• b: 10.2261 ± 0.0004 Å
• c: 12.4486 ± 0.0004 Å
• α: 101.95 ± 0.002°
• β: 104.633 ± 0.002°
• γ: 104.712 ± 0.001°
• Cell volume: 1115.63 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No