Information card for entry 2013059

Structure parameters

• Chemical name: Ammonium 4-nitrophenylarsonate
• Formula: C6 H9 As N2 O5
• Calculated formula: C6 H9 As N2 O5
• SMILES: [As](=O)([O-])(O)c1ccc(N(=O)=O)cc1.[NH4+]
• Title of publication: Ammonium 4-nitrophenylarsonate
• Authors of publication: Yang, Jin; Ma, Jian-Fang; Liu, Ying-Chun; Zheng, Guo-Li; Li, Li; Liu, Jing-Fu; Hu, Ning-Hai; Jia, Heng-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m613 - m614
• a: 11.67 ± 0.003 Å
• b: 6.5073 ± 0.0016 Å
• c: 12.693 ± 0.003 Å
• α: 90°
• β: 107.975 ± 0.018°
• γ: 90°
• Cell volume: 916.9 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes