Information card for entry 7131013

Structure parameters

• Formula: C36 H25 Al3 F36 O4
• Calculated formula: C35.999 H25 Al3 F35.9978 O3.99975
• 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: 20.35 ± 0.002 Å
• b: 22.947 ± 0.003 Å
• c: 40.507 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18916 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No