Information card for entry 7044432

Structure parameters

• Formula: C22 H31 N5 O Zn
• Calculated formula: C22 H31 N5 O Zn
• SMILES: [Zn]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)C(O2)c1ccc(N(C)C)cc1)CC
• Title of publication: Mono- and Binuclear Chiral N,N,O-Scorpionate Zinc Alkyls as Efficient Initiators for the ROP of rac-Lactide.
• Authors of publication: Otero, Antonio; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Sobrino Ramírez, Sonia; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.951 ± 0.003 Å
• b: 16.222 ± 0.004 Å
• c: 10.789 ± 0.003 Å
• α: 90°
• β: 92.045 ± 0.004°
• γ: 90°
• Cell volume: 2265.2 ± 1 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.1534
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No