Information card for entry 4347885

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium trihydrogenhexametaphosphate
• Formula: C108 H93 N3 O18 P12
• Calculated formula: C108 H93 N3 O18 P12
• 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: 13.1896 ± 0.0014 Å
• b: 17.231 ± 0.0017 Å
• c: 24.24 ± 0.003 Å
• α: 87.387 ± 0.003°
• β: 75.19 ± 0.003°
• γ: 72.054 ± 0.003°
• Cell volume: 5063.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No