Information card for entry 3000161

Structure parameters

• Common name: thiourea
• Formula: C H4 N2 S
• Authors of publication: Katrusiak, A.; Tomkowiak, H.
• Journal of publication: To be published in CGD
• a: 7.0261 ± 0.0006 Å
• b: 24.739 ± 0.018 Å
• c: 5.4709 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No