Information card for entry 4080707

Structure parameters

• Formula: C18 H30 Al N S
• Calculated formula: C18 H30 Al N S
• SMILES: C[Al]1(C)[N]2(CCCCC2)Cc2c(cc(cc2)C(C)(C)C)S1
• Title of publication: Aminoarenethiolate Aluminum Complexes: Synthesis, Characterization, and Use inl-Lactide Polymerization
• Authors of publication: Postigo, Lorena; Maestre, Mar\?ía del Carmen; Mosquera, Marta E. G.; Cuenca, Tomás; Jiménez, Gerardo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2618
• a: 7.2293 ± 0.001 Å
• b: 12.4372 ± 0.0008 Å
• c: 21.1286 ± 0.0014 Å
• α: 90°
• β: 91.288 ± 0.009°
• γ: 90°
• Cell volume: 1899.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No