Information card for entry 7219580

Structure parameters

• Formula: C38 H30 N8 Zn
• Calculated formula: C38 H30 N8 Zn
• SMILES: [Zn]12(N(C(=CC(=[N]1c1c(cccc1)C#N)C)C)c1c(cccc1)C#N)[N](=C(C=C(N2c1c(cccc1)C#N)C)C)c1ccccc1C#N
• 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: 9.7928 ± 0.0003 Å
• b: 11.3155 ± 0.0004 Å
• c: 16.999 ± 0.0006 Å
• α: 72.961 ± 0.001°
• β: 83.413 ± 0.002°
• γ: 68.922 ± 0.002°
• Cell volume: 1680.39 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No