Information card for entry 3000159

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: 7.1833 ± 0.0005 Å
• b: 24.893 ± 0.015 Å
• c: 5.5118 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 985.6 ± 0.6 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: 0.0616
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No