Information card for entry 7034298

Structure parameters

• Formula: C43 H47 N3 O3 Zn3
• Calculated formula: C43 H47 N3 O3 Zn3
• SMILES: [Zn]12([n]3c(ccc4cccc([O]1[Zn]1([n]5c(ccc6cccc([O]1[Zn]1([n]7c(ccc8cccc([O]21)c78)C)CC)c56)C)CC)c34)C)CC.Cc1ccccc1
• Title of publication: Comparing a series of 8-quinolinolato complexes of aluminium, titanium and zinc as initiators for the ring-opening polymerization of rac-lactide.
• Authors of publication: Bakewell, Clare; Fateh-Iravani, Giovanna; Beh, Daniel W.; Myers, Dominic; Tabthong, Sittichoke; Hormnirun, Pimpa; White, Andrew J. P.; Long, Nicholas; Williams, Charlotte K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12326 - 12337
• a: 11.8656 ± 0.0005 Å
• b: 12.3476 ± 0.0006 Å
• c: 14.4868 ± 0.0007 Å
• α: 80.956 ± 0.004°
• β: 69.131 ± 0.004°
• γ: 78.832 ± 0.004°
• Cell volume: 1936.66 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0436
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No