Information card for entry 1558453

Structure parameters

• Formula: C20.64 H13.44 Au B Cl1.44 F4 N2
• Calculated formula: C20.6396 H13.44 Au1.00015 B Cl1.44 F4 N2
• Title of publication: Symmetry of Three-Center, Four-Electron Bonds
• Authors of publication: Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 6.943 ± 0.0004 Å
• b: 14.1421 ± 0.0009 Å
• c: 21.3969 ± 0.0014 Å
• α: 85.536 ± 0.002°
• β: 86.97 ± 0.002°
• γ: 78.487 ± 0.002°
• Cell volume: 2050.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No