Information card for entry 4347884

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium bis(hydronium)dihydrogenhexametaphosphate
• Formula: C72 H68 N2 O20 P10
• Calculated formula: C72 H68 N2 O20 P10
• 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: 8.8016 ± 0.0004 Å
• b: 30.5879 ± 0.0012 Å
• c: 13.6623 ± 0.0006 Å
• α: 90°
• β: 105.51 ± 0.001°
• γ: 90°
• Cell volume: 3544.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No