Information card for entry 2239132

Structure parameters

• Chemical name: 4-Nitrophenylhydrazinium picrate monohydrate
• Formula: C12 H12 N6 O10
• Calculated formula: C12 H12 N6 O10
• SMILES: c1(ccc(cc1)N(=O)=O)N[NH3+].c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O
• Title of publication: 4-Nitrophenylhydrazinium picrate monohydrate
• Authors of publication: Cai, Hong-lan; Liu, Bing; Qiao, Qing-an
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o15
• a: 4.8483 ± 0.0003 Å
• b: 28.798 ± 0.002 Å
• c: 11.6352 ± 0.0008 Å
• α: 90°
• β: 101.36 ± 0.001°
• γ: 90°
• Cell volume: 1592.7 ± 0.18 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes