Information card for entry 4347881

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium trihydrogenpyrophosphate
• Formula: C36 H33 N O7 P4
• Calculated formula: C36 H33 N O7 P4
• Title of publication: Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.
• Authors of publication: Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6178 - 6185
• a: 31.159 ± 0.003 Å
• b: 14.105 ± 0.0012 Å
• c: 16.8481 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7404.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No