Information card for entry 2237632

Structure parameters

• Chemical name: <i>o</i>-Phenylenediaminium chloride nitrate
• Formula: C6 H10 Cl N3 O3
• Calculated formula: C6 H10 Cl N3 O3
• SMILES: [NH3+]c1ccccc1[NH3+].[O-]N(=O)=O.[Cl-]
• Title of publication: <i>o</i>-Phenylenediaminium chloride nitrate
• Authors of publication: Soudani, Sarra; Kefi, Riadh; Jelsch, Christian; Wenger, Emmanuel; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o600
• a: 7.3695 ± 0.0005 Å
• b: 8.2367 ± 0.0005 Å
• c: 14.2398 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 864.36 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes