Information card for entry 2212068

Structure parameters

• Chemical name: Benzamidinium dihydrogenphosphate
• Formula: C7 H11 N2 O4 P
• Calculated formula: C7 H11 N2 O4 P
• SMILES: c1(C(=[NH2+])N)ccccc1.P(=O)([O-])(O)O
• Title of publication: Benzamidinium dihydrogenphosphate
• Authors of publication: T. Kolev; M. Spiteller; T. van Almsick; H. Mayer-Figge; W. S. Sheldrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1016 - o1018
• a: 12.259 ± 0.003 Å
• b: 10.067 ± 0.002 Å
• c: 8.0578 ± 0.0016 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 994.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes