Information card for entry 7238117

Structure parameters

• Chemical name: Tetraphenylphosphonium bromide, hydrogenperoxide water solvate
• Formula: C24 H24 Br O3.5 P
• Calculated formula: C24 H24 Br O3.5 P
• Title of publication: The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide
• Authors of publication: Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 110
• Pages of publication: 664
• a: 10.8495 ± 0.0006 Å
• b: 16.3505 ± 0.0009 Å
• c: 12.8342 ± 0.0007 Å
• α: 90°
• β: 91.889 ± 0.001°
• γ: 90°
• Cell volume: 2275.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No