Information card for entry 1556433

Structure parameters

• Formula: C10 H21 Al N2 S2
• Calculated formula: C10 H20 Al N2 S2
• SMILES: S1[Al]23(SCC[N]42CC[N]3(CCC4)CC1)C
• Title of publication: Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy
• Authors of publication: Yang, X.; Lunsford, A.; Darensbourg, M.Y.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 115
• a: 7.354 ± 0.004 Å
• b: 7.723 ± 0.004 Å
• c: 12.601 ± 0.006 Å
• α: 94.767 ± 0.007°
• β: 98.204 ± 0.007°
• γ: 115.566 ± 0.006°
• Cell volume: 630.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No