Information card for entry 7002573

Structure parameters

• Formula: C38 H55 Al O3 S2
• Calculated formula: C38 H55 Al O3 S2
• SMILES: [S]12[Al]3([S]([C@@H]4[C@@H]2CCCC4)c2c(O3)c(cc(c2)C)C(C)(C)C)(Oc2c1cc(cc2C(C)(C)C)C)O[C@H]1[C@]2(CC[C@@H](C1)C2(C)C)C
• Title of publication: Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity
• Authors of publication: Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9033 - 9042
• a: 11.2074 ± 0.0012 Å
• b: 13.4571 ± 0.0014 Å
• c: 13.6547 ± 0.0015 Å
• α: 63.139 ± 0.002°
• β: 83.317 ± 0.002°
• γ: 83.465 ± 0.002°
• Cell volume: 1820.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No