Information card for entry 7119556

Structure parameters

• Formula: C20 H31 Al I3 N
• Calculated formula: C20 H31 Al I3 N
• SMILES: [Al](I)(I)(I)=C1C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• Title of publication: An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.
• Authors of publication: Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 2543 - 2546
• a: 9.092 ± 0.002 Å
• b: 17.918 ± 0.003 Å
• c: 15.271 ± 0.002 Å
• α: 90°
• β: 94.99 ± 0.02°
• γ: 90°
• Cell volume: 2478.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No