Information card for entry 7238116

Structure parameters

• Chemical name: Tetraphenylphosphonium bromide, hydrogenperoxide water solvate
• Formula: C24 H24 Br O3.84 P
• Calculated formula: C24 H24 Br O3.84 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: 9.5924 ± 0.0005 Å
• b: 11.1652 ± 0.0006 Å
• c: 11.9082 ± 0.0006 Å
• α: 75.233 ± 0.001°
• β: 71.189 ± 0.001°
• γ: 70.977 ± 0.001°
• Cell volume: 1125.23 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No