Information card for entry 4347882

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium dihydrogenhexametaphosphate dihydrate
• Formula: C144 H126 N4 O20 P14
• Calculated formula: C144 H126 N4 O20 P14
• 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: 14.7633 ± 0.0009 Å
• b: 16.1312 ± 0.001 Å
• c: 17.2418 ± 0.0011 Å
• α: 97.032 ± 0.0014°
• β: 107.049 ± 0.0013°
• γ: 109.781 ± 0.0013°
• Cell volume: 3580.2 ± 0.4 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: 0.0648
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No