Information card for entry 1576590

Structure parameters

• Formula: C96 H107 Al2 F72 Ga2 N O8 P4
• Calculated formula: C96 H107 Al2 F72 Ga2 N O8 P4
• Title of publication: Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.
• Authors of publication: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4004 - 4020
• a: 15.468 ± 0.005 Å
• b: 18.034 ± 0.004 Å
• c: 22.835 ± 0.005 Å
• α: 81.311 ± 0.012°
• β: 72.12 ± 0.005°
• γ: 86.298 ± 0.008°
• Cell volume: 5991 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No