Information card for entry 7126285

Structure parameters

• Formula: C8 H12 Al2 Cl6 N4
• Calculated formula: C8 H12 Al2 Cl6 N4
• Title of publication: Are ionic liquids and liquid coordination complexes really different? - Synthesis, characterization, and catalytic activity of AlCl₃/base catalysts.
• Authors of publication: Kore, Rajkumar; Kelley, Steven P.; Sawant, Anand D.; Mishra, Manish Kumar; Rogers, Robin D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 40
• Pages of publication: 5362 - 5365
• a: 8.4788 ± 0.0002 Å
• b: 11.2242 ± 0.0003 Å
• c: 9.6038 ± 0.0003 Å
• α: 90°
• β: 91.3763 ± 0.0015°
• γ: 90°
• Cell volume: 913.71 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No