Information card for entry 7131012

Structure parameters

• Formula: C43.88 H38 Al3 F36.75 O4
• Calculated formula: C43.876 H37.992 Al3 F36.752 O4
• 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: 13.698 ± 0.002 Å
• b: 15.496 ± 0.007 Å
• c: 15.603 ± 0.006 Å
• α: 115.63 ± 0.03°
• β: 111.47 ± 0.013°
• γ: 92.372 ± 0.017°
• Cell volume: 2699 ± 1.9 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: 0.0579
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No