Information card for entry 2015732

Structure parameters

• Chemical name: 4-[(<i>E</i>)-phenyldiazenyl]anilinium hydrogenphosphate
• Formula: C24 H25 N6 O4 P
• Calculated formula: C24 H25 N6 O4 P
• SMILES: P(=O)([O-])([O-])O.[NH3+]c1ccc(/N=N/c2ccccc2)cc1.[NH3+]c1ccc(/N=N/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: 26.757 ± 0.004 Å
• b: 11.2998 ± 0.0015 Å
• c: 7.9943 ± 0.0012 Å
• α: 90°
• β: 96.709 ± 0.012°
• γ: 90°
• Cell volume: 2400.5 ± 0.6 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: 0.0987
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No