Information card for entry 4347880

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium hydrogentrimetaphosphate
• Formula: C76 H69 N2 O10 P7
• Calculated formula: C75.988 H68.976 N2 O9.997 P7
• 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: 10.5931 ± 0.0013 Å
• b: 25.176 ± 0.003 Å
• c: 12.9215 ± 0.0015 Å
• α: 90°
• β: 102.843 ± 0.002°
• γ: 90°
• Cell volume: 3359.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No