Information card for entry 2015588

Structure parameters

• Common name: p-Carboxyphenylammonium perchlorate monohydrate
• Formula: C7 H10 Cl N O7
• Calculated formula: C7 H10 Cl N O7
• SMILES: c1(ccc(cc1)[NH3+])C(=O)O.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o612 - o617
• a: 7.5492 ± 0.0007 Å
• b: 19.3871 ± 0.0005 Å
• c: 7.2974 ± 0.0003 Å
• α: 90°
• β: 101.524 ± 0.005°
• γ: 90°
• Cell volume: 1046.5 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes