Information card for entry 2219347

Structure parameters

• Chemical name: Bis(4,6-diaminopyrimidin-2-yl) disulfide dimethyl sufoxide disolvate
• Formula: C12 H22 N8 O2 S4
• Calculated formula: C12 H22 N8 O2 S4
• Title of publication: Bis(4,6-diaminopyrimidin-2-yl) disulfide dimethyl sufoxide disolvate
• Authors of publication: Papastavrou, Ephthymia; Shakhatreh, Saleh; Akrivos, Pericles D.; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1724
• a: 11.2612 ± 0.0004 Å
• b: 11.9948 ± 0.0005 Å
• c: 15.0754 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.32 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes