Information card for entry 2312095

Structure parameters

• Chemical name: 2-Amino-5-cyanopyridinium diphenylphosphinate
• Formula: C18 H16 N3 O2 P
• Calculated formula: C18 H16 N3 O2 P
• Title of publication: Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.
• Authors of publication: Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 193 - 203
• a: 6.267 ± 0.004 Å
• b: 9.551 ± 0.006 Å
• c: 14.615 ± 0.01 Å
• α: 88.185 ± 0.011°
• β: 84.742 ± 0.01°
• γ: 75.841 ± 0.01°
• Cell volume: 844.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes