Information card for entry 1558452

Structure parameters

• Formula: C20.66 H13.5 Ag B Cl1.5 F4 N2
• Calculated formula: C20.658 H13.5 Ag B Cl1.5 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: 6.987 ± 0.005 Å
• b: 13.924 ± 0.01 Å
• c: 21.312 ± 0.015 Å
• α: 85.099 ± 0.015°
• β: 86.731 ± 0.015°
• γ: 81.161 ± 0.015°
• Cell volume: 2039 ± 3 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: 0.1252
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No