Information card for entry 4348806

Structure parameters

• Formula: C41 H51 Al N2 S2
• Calculated formula: C41 H51 Al N2 S2
• SMILES: [Al]1(Sc2ccccc2)(Sc2ccccc2)[N](c2c(cccc2C(C)C)C(C)C)=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.
• Authors of publication: Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9099 - 9104
• a: 9.6103 ± 0.0007 Å
• b: 22.3119 ± 0.0015 Å
• c: 17.1718 ± 0.0012 Å
• α: 90°
• β: 95.512 ± 0.002°
• γ: 90°
• Cell volume: 3665 ± 0.4 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 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: 0.0799
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No