Information card for entry 7004586

Structure parameters

• Formula: C44 H72 N2 O2 Zn
• Calculated formula: C44 H72 N2 O2 Zn
• SMILES: C[N]1(C2CCCCC2)Cc2c(O[Zn]31[N](C)(C1CCCCC1)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)c(cc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: Homo- and heteroleptic zinc aminophenolates as initiators for lactide polymerization
• Authors of publication: Ejfler, Jolanta; Szafert, Sławomir; Mierzwicki, Krzysztof; Jerzykiewicz, Lucjan B.; Sobota, Piotr
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6556 - 6562
• a: 16.197 ± 0.004 Å
• b: 12.066 ± 0.004 Å
• c: 21.147 ± 0.006 Å
• α: 90°
• β: 91.51 ± 0.03°
• γ: 90°
• Cell volume: 4131 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No