Information card for entry 2311486

Structure parameters

• Common name: bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate
• Chemical name: Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate
• Formula: C12 H15 N8 O8.5 S
• Calculated formula: C12 H15 N4 O8.5 S
• SMILES: S(=O)(=O)(c1ccc([NH3+])cc1)c1ccc([NH3+])cc1.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.
• Authors of publication: Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1721 - 1725
• a: 9.366 ± 0.005 Å
• b: 15.203 ± 0.005 Å
• c: 23.07 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3285 ± 2 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: 0.1241
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2008
• 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: No