Information card for entry 7122033

Structure parameters

• Formula: C28 H18 Al F36 In O4
• Calculated formula: C28 H18 Al F36 In O4
• Title of publication: Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.
• Authors of publication: Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 72
• Pages of publication: 10036 - 10039
• a: 10.5712 ± 0.0001 Å
• b: 14.7281 ± 0.0002 Å
• c: 26.0049 ± 0.0004 Å
• α: 90°
• β: 100.363 ± 0.001°
• γ: 90°
• Cell volume: 3982.75 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No