Information card for entry 1576586

Structure parameters

• Formula: C86 H102 Al2 F72 Ga2 O9 P4
• Calculated formula: C86 H102 Al2 F72 Ga2 O9 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: 17.168 ± 0.004 Å
• b: 17.984 ± 0.005 Å
• c: 22.621 ± 0.008 Å
• α: 69.09 ± 0.008°
• β: 67.933 ± 0.009°
• γ: 63.812 ± 0.008°
• Cell volume: 5653 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No