Information card for entry 2221409

Structure parameters

• Common name: tetramethylammonium dihydrogen phosphate
• Chemical name: Tetramethylammonium dihydrogen phosphate hemihydrate
• Formula: C4 H15 N O4.5 P
• Calculated formula: C4 H15 N O4.5 P
• SMILES: P(=O)([O-])(O)O.[N+](C)(C)(C)C.O
• Title of publication: Tetramethylammonium dihydrogen phosphate hemihydrate
• Authors of publication: Fujita, Kyoko; MacFarlane, Douglas R.; Noguchi, Keiichi; Ohno, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o797
• a: 14.3213 ± 0.0003 Å
• b: 9.2607 ± 0.0002 Å
• c: 13.199 ± 0.0002 Å
• α: 90°
• β: 103.614 ± 0.001°
• γ: 90°
• Cell volume: 1701.34 ± 0.06 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes