Information card for entry 7131011

Structure parameters

• Formula: C55 H39 Al4 F57 O6
• Calculated formula: C55 H39 Al4 F57 O6
• Title of publication: Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.
• Authors of publication: Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 187 - 190
• a: 13.709 ± 0.005 Å
• b: 17.095 ± 0.007 Å
• c: 17.529 ± 0.006 Å
• α: 113.074 ± 0.01°
• β: 102.677 ± 0.016°
• γ: 96.97 ± 0.02°
• Cell volume: 3587 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No