Information card for entry 4319100

Structure parameters

• Common name: tetraphenylphosphonium triiodotetrabromide
• Formula: C24 H20 Br4 I3 P
• Calculated formula: C24 H20 Br4 I3 P
• SMILES: [I](Br)[Br-]([I]Br)[I]Br.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and Crystal Structure of Tetraphenylphosphonium Triiodotetrabromide [PPh4][I3Br4]
• Authors of publication: Rolf Minkwitz; Michael Berkei; Ralf Ludwig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 25 - 28
• a: 10.947 ± 0.001 Å
• b: 11.945 ± 0.001 Å
• c: 12.896 ± 0.001 Å
• α: 66.8 ± 0.01°
• β: 77.21 ± 0.01°
• γ: 85.73 ± 0.01°
• Cell volume: 1511.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.0944
• Goodness-of-fit parameter for all reflections: 0.85
• Goodness-of-fit parameter for significantly intense reflections: 0.898
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No