Information card for entry 2015733

Structure parameters

• Chemical name: 4-[(<i>E</i>)-phenyldiazenyl]anilinium dihydrogenphosphate‒phosphoric acid (1/1)
• Formula: C12 H17 N3 O8 P2
• Calculated formula: C12 H17 N3 O8 P2
• SMILES: P(=O)(O)(O)O.P(=O)(O)([O-])O.Nc1ccc(N=[NH+]c2ccccc2)cc1
• Title of publication: Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene
• Authors of publication: Halasz, Ivan; Kaja Lukić; Hrvoj Vančik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o61 - o64
• a: 4.5515 ± 0.0004 Å
• b: 10.5973 ± 0.0009 Å
• c: 34.705 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No