Information card for entry 7023469

Structure parameters

• Formula: C22 H31 Al2 N5 S
• Calculated formula: C22 H31 Al2 N5 S
• SMILES: [Al]1([n]2n(c(cc2C)C)C2n3[n]([Al](SC=2N1c1ccccc1)(C)C)c(cc3C)C)(C)C
• Title of publication: Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.
• Authors of publication: Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14240 - 14252
• a: 15.387 ± 0.008 Å
• b: 19.98 ± 0.008 Å
• c: 18.787 ± 0.008 Å
• α: 90°
• β: 97.839 ± 0.011°
• γ: 90°
• Cell volume: 5722 ± 4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.1924
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No