Information card for entry 7131528

Structure parameters

• Formula: C30 H52 Al I N2 Si2
• Calculated formula: C30 H52 Al I N2 Si2
• SMILES: [Al](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)(N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C)I
• Title of publication: An acyclic aluminyl anion.
• Authors of publication: Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5277 - 5280
• a: 10.1072 ± 0.0006 Å
• b: 10.2573 ± 0.0006 Å
• c: 17.9608 ± 0.0008 Å
• α: 89.292 ± 0.004°
• β: 83.539 ± 0.004°
• γ: 66.374 ± 0.006°
• Cell volume: 1694.04 ± 0.18 ų
• Cell temperature: 149.9 ± 0.7 K
• Ambient diffraction temperature: 149.9 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No