Information card for entry 7131134

Structure parameters

• Formula: C174 H128 Al4 F150 Ga4 N8 O16
• Calculated formula: C174.001 H128 Al4 F150.002 Ga4 N8 O16.0002
• 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: 18.321 ± 0.008 Å
• b: 19.089 ± 0.009 Å
• c: 30.659 ± 0.014 Å
• α: 88.15 ± 0.02°
• β: 87.32 ± 0.03°
• γ: 88.37 ± 0.013°
• Cell volume: 10701 ± 8 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: 0.0714
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No