Information card for entry 7704268

Structure parameters

• Formula: C58 H82 Al2 N4
• Calculated formula: C58 H82 Al2 N4
• SMILES: [Al]123([Al]4(C(C=C(N4c4c(cccc4C(C)C)C(C)C)C)=C)(N2c2c(cccc2C(C)C)C(C)C)[H]3)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Salt metathesis as an alternative approach to access aluminium(i) and gallium(i) β-diketiminates.
• Authors of publication: Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6377 - 6383
• a: 13.7426 ± 0.0002 Å
• b: 17.5278 ± 0.0003 Å
• c: 22.4882 ± 0.0003 Å
• α: 90°
• β: 105.024 ± 0.001°
• γ: 90°
• Cell volume: 5231.74 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No