Information card for entry 7034297

Structure parameters

• Formula: C24 H22 Cl4 N2 O2 Zn2
• Calculated formula: C24 H22 Cl4 N2 O2 Zn2
• SMILES: c1(ccc2c(cc(c3c2[n]1[Zn]1(CC)[O]3[Zn]2([n]3c(ccc4c(cc(c(c34)[O]12)Cl)Cl)C)CC)Cl)Cl)C
• 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: 7.72046 ± 0.00006 Å
• b: 15.77008 ± 0.00011 Å
• c: 20.25661 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.29 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No