Information card for entry 1519016

Structure parameters

• Formula: C16 H26 N2 O7 P2
• Calculated formula: C16 H8 N2 O7 P2
• SMILES: P(=O)(OP(=O)(O)[O-])([O-])O.[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1
• Title of publication: Synthesis and crystal structure of bis (2-phenylethylammonium) dihydrogendimphosphate, [C6H5(CH2)2NH3]2H2P2O7
• Authors of publication: Hlel, F.; Smiri, L.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 321 - 329
• a: 19.006 ± 0.003 Å
• b: 10.718 ± 0.002 Å
• c: 10.996 ± 0.003 Å
• α: 90°
• β: 98.99 ± 0.02°
• γ: 90°
• Cell volume: 2212.4 ± 0.8 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No