Information card for entry 1570812

Structure parameters

• Chemical name: Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)
• Formula: C4 H12 Br5 F26 N
• Calculated formula: C4 H11.9997 Br5 F25.999 N
• Title of publication: [Br₄F₂₁]^- - a unique molecular tetrahedral interhalogen ion containing a μ₄-bridging fluorine atom surrounded by BrF₅ molecules.
• Authors of publication: Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 3273 - 3278
• a: 13.389 ± 0.004 Å
• b: 13.389 ± 0.004 Å
• c: 13.389 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400.2 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No