Information card for entry 1545103

Structure parameters

• Formula: C36 H56 N2 O2 Zn
• Calculated formula: C36 H56 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3)C(C)(C)C)C[N]1(C)C1CCCCC1)Oc1c(cc(cc1)C(C)(C)C)C[N]2(C)C1CCCCC1
• Title of publication: Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.
• Authors of publication: Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1349 - 1365
• a: 5.986 ± 0.002 Å
• b: 12.333 ± 0.003 Å
• c: 23.801 ± 0.006 Å
• α: 102.2 ± 0.03°
• β: 96.27 ± 0.02°
• γ: 96.31 ± 0.02°
• Cell volume: 1691.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No