Information card for entry 7131136

Structure parameters

• Formula: C106 H60 Al2 F72 Ga2 O8 P4
• Calculated formula: C106 H60 Al2 F72 Ga2 O8 P4
• Title of publication: How long are Ga⇆Ga double bonds and Ga-Ga single bonds in dicationic gallium dimers?
• Authors of publication: Barthélemy, Antoine; Scherer, Harald; Weller, Hanna; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 10
• Pages of publication: 1353 - 1356
• a: 15.9476 ± 0.0012 Å
• b: 11.0312 ± 0.0008 Å
• c: 33.773 ± 0.003 Å
• α: 90°
• β: 102.211 ± 0.002°
• γ: 90°
• Cell volume: 5807 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No