Information card for entry 2200572

Structure parameters

• Chemical name: Bis(p-phenylazoanilinium) oxalate
• Formula: C26 H24 N6 O4
• Calculated formula: C26 H24 N6 O4
• SMILES: c1cc(N=Nc2ccccc2)ccc1[NH3+].O=C([O-])C(=O)[O-].c1(ccc(cc1)N=Nc1ccccc1)[NH3+]
• Title of publication: Two-dimensional hydrogen-bonded arrays in <i>p</i>-phenylazoanilinium oxalate
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o898 - o900
• a: 6.4875 ± 0.0001 Å
• b: 7.0151 ± 0.0001 Å
• c: 14.2991 ± 0.0001 Å
• α: 92.044 ± 0.001°
• β: 100.045 ± 0.001°
• γ: 112.955 ± 0.001°
• Cell volume: 586.169 ± 0.014 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No