Information card for entry 7224176

Structure parameters

• Formula: C19 H34 N14 S4
• Calculated formula: C19 H34 N14 S4
• Title of publication: Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine
• Authors of publication: Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1842
• a: 7.7966 ± 0.0005 Å
• b: 9.0094 ± 0.0005 Å
• c: 10.8792 ± 0.0007 Å
• α: 89.053 ± 0.005°
• β: 85.454 ± 0.005°
• γ: 83.906 ± 0.005°
• Cell volume: 757.45 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No